# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_CO2_SLOW_FREECO_publ

_pd_block_id                     2014-01-16T14:44|CO2_SLOW_FREECO|1_38|bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-16T14:44
_audit_update_record             
; 2014-01-16T14:44  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     68
_refine_ls_goodness_of_fit_all   1.78
_refine_ls_number_restraints     3
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            green

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   'MOF74-Fe CO2'
_cell_length_a                   26.0349(5)
_cell_length_b                   26.0349
_cell_length_c                   6.85076(18)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4021.42(17)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Fe Fe 0.38439(17) 0.35309(18) 0.1400(5) 1.0 Uiso 0.0061(7) 18
O O1 0.32563(27) 0.29358(29) 0.3623(10) 1.0 Uiso 0.0050(8) 18
O O2 0.30203(27) 0.22925(29) 0.6031(10) 1.0 Uiso 0.0050(8) 18
O O3 0.35372(31) 0.27267(26) 0.0117(10) 1.0 Uiso 0.0050(8) 18
C C1 0.31741(26) 0.24599(24) 0.4200(9) 1.0 Uiso 0.0041(4) 18
C C2 0.32779(27) 0.20396(25) 0.2893(9) 1.0 Uiso 0.0041(4) 18
C C3 0.34479(23) 0.22365(26) 0.0916(8) 1.0 Uiso 0.0041(4) 18
C C4 0.35013(27) 0.18239(28) -0.0239(8) 1.0 Uiso 0.0041(4) 18
H H 0.3609(5) 0.1934(4) -0.1726(19) 1.0 Uiso 0.0024(25) 18
O O2b 0.2119(10) 0.7561(10) 0.510(4) 0.350(6) Uani 0.04342 18
C C2a 0.1686(9) 0.7141(10) 0.552(4) 0.350(6) Uani 0.04678 18
O O2a 0.1253(9) 0.6725(9) 0.5917(28) 0.350(6) Uiso 0.010(6) 18


# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.35 H Fe O3.70'
_chemical_formula_weight         168.32
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe Fe 3.043(5) . 103_554 N
Fe Fe 3.043(5) . 202_555 N
Fe O1 2.165(7) . 1_555 N
Fe O1 2.163(10) . 103_554 N
Fe O2 1.962(8) . 202_554 N
Fe O3 2.030(8) . 1_555 N
Fe O3 2.045(9) . 202_555 N
Fe O2a 2.287(26) . 101_544 N
O1 Fe 2.165(7) . 1_555 N
O1 Fe 2.163(10) . 202_555 N
O1 O2 2.208(10) . 1_555 N
O1 C1 1.213(10) . 1_555 N
O2 Fe 1.962(8) . 103_555 N
O2 O1 2.208(10) . 1_555 N
O2 C1 1.323(9) . 1_555 N
O3 Fe 2.030(8) . 1_555 N
O3 Fe 2.045(9) . 103_554 N
O3 C3 1.299(10) . 1_555 N
O3 C4 2.318(11) . 1_555 N
C1 O1 1.213(10) . 1_555 N
C1 O2 1.323(9) . 1_555 N
C1 C2 1.539(10) . 1_555 N
C2 C1 1.539(10) . 1_555 N
C2 C3 1.437(8) . 1_555 N
C2 C4 2.363(9) . 1_555 N
C3 O3 1.299(10) . 1_555 N
C3 C2 1.437(8) . 1_555 N
C3 C4 1.396(10) . 1_555 N
C4 O3 2.318(11) . 1_555 N
C4 C2 2.363(9) . 1_555 N
C4 C3 1.396(10) . 1_555 N
C4 H 1.058(14) . 1_555 N
H C4 1.058(14) . 1_555 N
O2b C2a 1.147(26) . 1_555 N
O2b O2a 2.284(25) . 1_555 N
C2a O2b 1.147(26) . 1_555 N
C2a O2a 1.138(24) . 1_555 N
O2a Fe 2.287(26) . 201_455 N
O2a O2b 2.284(25) . 1_555 N
O2a C2a 1.138(24) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Fe O1 81.14(16) 1_555 . 103_554 N
O1 Fe O2 180.000(5) 1_555 . 202_554 N
O1 Fe O3 78.11(29) 1_555 . 1_555 N
O1 Fe O3 80.94(32) 1_555 . 202_555 N
O1 Fe O2a 89.3(5) 1_555 . 101_544 N
O1 Fe O2 98.79(31) 103_554 . 202_554 N
O1 Fe O3 81.31(31) 103_554 . 1_555 N
O1 Fe O3 94.46(31) 103_554 . 202_555 N
O1 Fe O2a 164.9(5) 103_554 . 101_544 N
O2 Fe O3 101.14(35) 202_554 . 1_555 N
O2 Fe O3 99.8(4) 202_554 . 202_555 N
O2 Fe O2a 90.6(5) 202_554 . 101_544 N
O3 Fe O3 159.0(4) 1_555 . 202_555 N
O3 Fe O2a 85.3(6) 1_555 . 101_544 N
O3 Fe O2a 95.6(6) 202_555 . 101_544 N
Fe O1 Fe 89.32(27) 1_555 . 202_555 N
Fe O1 C1 131.3(7) 1_555 . 1_555 N
Fe O1 C1 137.0(6) 202_555 . 1_555 N
Fe O2 C1 123.3(6) 103_555 . 1_555 N
Fe O3 Fe 96.6(4) 1_555 . 103_554 N
Fe O3 C3 128.0(5) 1_555 . 1_555 N
Fe O3 C3 127.2(4) 103_554 . 1_555 N
O1 C1 O2 121.0(7) 1_555 . 1_555 N
O1 C1 C2 122.2(6) 1_555 . 1_555 N
O2 C1 C2 116.7(6) 1_555 . 1_555 N
C1 C2 C3 115.3(6) 1_555 . 1_555 N
O3 C3 C2 128.3(7) 1_555 . 1_555 N
O3 C3 C4 118.6(6) 1_555 . 1_555 N
O3 C3 H 91.9(5) 1_555 . 1_555 N
C2 C3 C4 113.0(6) 1_555 . 1_555 N
C2 C3 H 139.7(6) 1_555 . 1_555 N
C4 C3 H 26.7(4) 1_555 . 1_555 N
C3 C4 H 116.9(9) 1_555 . 1_555 N
C3 H C4 36.4(7) 1_555 . 1_555 N
O2b C2a O2a 179.1(33) 1_555 . 1_555 N
Fe O2a C2a 106.2(22) 201_455 . 1_555 N

# Powder diffraction data for histogram  3
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# start Validation Reply Form
_vrf_PLAT602_CO2_SLOW_FREECO_publ 
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: This material is very porous and it was evacuated before dosing with CO2. At this loading, the channel remains somewhat evacuated.
;
_vrf_PLAT220_CO2_SLOW_FREECO_publ 
;
PROBLEM: Large Non-Solvent  C     Ueq(max)/Ueq(min) Range       10.0 Ratio 
RESPONSE: These were refined anisotropically because of static disorder in the CO2.
;
# end Validation Reply Form

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.4388
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  echidna
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Fe 18.0 0.9450 International_Tables_Vol_C
O 66.616 0.5803 International_Tables_Vol_C
C 78.308 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0307
_pd_proc_ls_prof_wR_factor       0.0399
_pd_proc_ls_prof_wR_expected     0.0227
_refine_ls_R_Fsqd_factor         0.06385

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 10 terms.
 Shifted Chebyshev function of 1st kind
      1:    487.402     2:   -146.672     3:    17.6085     4:   0.366117    
      5:    25.0784     6:    1.96398     7:    3.99271     8:    12.1676    
      9:    3.31369    10:    8.16748    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  167.531 #2(GV)   =  -63.639 #3(GW)   =  240.411
 #4(GP)   =   11.710 #5(LX)   =    6.168 #6(LY)   =    4.693
 #7(S/L)  =   0.0336 #8(H/L)  =   0.0663
 #9(trns) =     0.00 #10(shft)=   0.0330
 #11(stec)=     0.07 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-01-16T14:44:09
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        2.7508
_pd_meas_2theta_range_max        163.9508
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        2.4945
_pd_proc_2theta_range_max        163.6945
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
0.0(10) 0.0 629.22 .
0.0(10) 0.0 630.08 .
0.0(10) 0.0 630.93 .
0.0(10) 0.0 631.77 .
0.0(10) 0.0 632.59 .
0.0(10) 0.0 633.40 .
0.0(10) 0.0 634.19 .
0.0(10) 0.0 634.97 .
0.0(10) 0.0 635.75 .
0.0(10) 0.0 636.50 .
0.0(10) 0.0 637.25 .
0.0(10) 0.0 637.98 .
0.0(10) 0.0 638.70 .
0.0(10) 0.0 639.41 .
0.0(10) 0.0 640.11 .
0.0(10) 0.0 640.79 .
0.0(10) 0.0 641.47 .
0.0(10) 0.0 642.13 .
0.0(10) 0.0 642.78 .
0.0(10) 0.0 643.41 .
0.0(10) 0.0 644.04 .
0.0(10) 0.0 644.66 .
0.0(10) 0.0 645.26 .
0.0(10) 0.0 645.85 .
0.0(10) 0.0 646.43 .
4.0(13) 0.0 647.00 .
8.3(14) 0.0 647.56 .
8.4(14) 0.0 648.11 .
7.3(13) 0.0 648.65 .
7.9(13) 0.0 649.18 .
10.9(17) 0.0 649.69 .
17.2(26) 0.0 650.20 .
15.6(25) 0.0 650.70 .
11.5(15) 0.0 651.18 .
18.4(20) 0.0 651.66 .
25.6(25) 0.0 652.12 .
22.5(30) 0.0 652.58 .
19.2(20) 0.0 653.03 .
31.6(32) 0.0 653.46 .
57(4) 0.0 653.9 .
77(4) 0.0 654.3 .
75(5) 0.0 654.7 .
112(5) 0.0 655.1 .
0.36(27) 0.0 655.496 .
99(4) 0.0 655.9 .
143(5) 0.0 656.2 .
133(5) 0.0 656.6 .
219(7) 0.0 657.0 .
316(8) 0.0 657.3 .
340(9) 0.0 657.6 .
494(13) 0.0 658.0 .
618(13) 0.0 658.3 .
641(13) 0.0 658.6 .
651(13) 0.0 658.9 .
655(12) 0.0 659.2 .
656(14) 0.0 659.4 .
657(17) 0.0 659.7 .
702(18) 0.0 660.0 .
660(13) 0.0 660.2 .
640(12) 0.0 660.5 .
635(14) 0.0 660.7 .
640(17) 0.0 661.0 .
627(13) 0.0 661.2 .
623(14) 0.00503 661.4 661.4
620(13) 0.00562 661.6 661.6
613(13) 0.00555 661.8 661.8
606(17) 0.00361 662.0 662.0
629(13) 0.00585 662.2 662.2
571(21) 0.002202 662.4 662.4
602(12) 0.00689 662.5 662.5
615(11) 0.00806 662.7 662.7
611(12) 0.00660 662.9 662.9
631(12) 0.00671 663.0 663.0
650(13) 0.00572 663.2 663.2
647(13) 0.00574 663.3 663.3
674(15) 0.00431 663.4 663.4
683(14) 0.00495 663.5 663.5
667(13) 0.00554 663.7 663.7
661(14) 0.00545 663.8 663.8
659(13) 0.00627 663.9 663.9
659(14) 0.00504 664.0 664.0
659(18) 0.003104 664.0 664.0
643(18) 0.003188 664.1 664.1
636(13) 0.00562 664.2 664.2
649(13) 0.00630 664.3 664.3
665(14) 0.00499 664.3 664.3
667(18) 0.003076 664.4 672.2
647(13) 0.00556 664.4 672.5
651(15) 0.00449 664.5 672.8
665(14) 0.00509 664.5 673.1
673(14) 0.00493 664.5 673.4
677(18) 0.003046 664.6 673.6
670(13) 0.00554 664.6 673.9
672(26) 0.001442 664.6 674.3
657(14) 0.00547 664.6 674.6
644(12) 0.00711 664.6 674.9
631(13) 0.00570 664.6 675.2
647(13) 0.00631 664.6 675.6
668(13) 0.00559 664.6 675.9
668(13) 0.00558 664.6 676.3
677(15) 0.00458 664.5 676.7
674(14) 0.00530 664.5 677.1
661(13) 0.00590 664.5 677.6
662(13) 0.00588 664.4 678.0
661(12) 0.00661 664.4 678.5
666(14) 0.00521 664.3 679.0
686(18) 0.003188 664.3 679.5
662(17) 0.003303 664.2 680.1
670(13) 0.00577 664.2 680.7
691(13) 0.00625 664.1 681.3
713(14) 0.00489 664.0 682.0
719(18) 0.003039 663.9 682.7
692(13) 0.00564 663.8 683.5
691(15) 0.00452 663.8 684.4
699(14) 0.00511 663.7 685.3
703(14) 0.00495 663.6 686.3
708(18) 0.003093 663.5 687.4
703(13) 0.00553 663.3 688.5
705(25) 0.001548 663.2 689.8
730(14) 0.00539 663.1 691.2
749(12) 0.00648 663.0 692.7
761(14) 0.00506 662.9 694.4
763(13) 0.00572 662.7 696.3
770(14) 0.00505 662.6 698.5
797(14) 0.00484 662.5 701.0
799(16) 0.00389 662.3 704.0
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826(15) 0.00462 662.0 712.7
843(15) 0.00454 661.9 719.7
866(14) 0.00491 661.7 729.6
905(16) 0.00373 661.6 744.0
965(21) 0.002225 661.4 764.5
983(21) 0.002182 661.2 792.9
986(16) 0.00387 661.1 831.1
1018(16) 0.00415 660.9 880.2
1063(18) 0.003188 660.7 941.0
1105(23) 0.001944 660.5 1013.4
1174(18) 0.003214 660.3 1097.0
1249(20) 0.002419 660.1 1191.1
1311(19) 0.002657 659.9 1295.0
1380(20) 0.002429 659.7 1408.3
1492(26) 0.001436 659.5 1530.8
1546(20) 0.002419 659.3 1662.9
1696(40) 0.000640 659. 1805.
1808(22) 0.002147 658.9 1958.5
1951(20) 0.002387 658.7 2124.4
2126(24) 0.001738 658.5 2304.4
2321(24) 0.001777 658.3 2500.5
2547(26) 0.001458 658.1 2715.5
2817(28) 0.001289 657.8 2952.7
3071(35) 0.000811 658. 3216.
3376(35) 0.000801 657. 3512.
3771(36) 0.000779 657. 3847.
4222(37) 0.000737 657. 4232.
4755(39) 0.000674 657. 4680.
5369(46) 0.000471 656. 5206.
6066(60) 0.0002744 656. 5826.
7030(65) 0.0002339 656. 6551.
7902(51) 0.000382 656. 7377.
8808(53) 0.000352 655. 8273.
9602(62) 0.0002565 655. 9169.
10137(80) 0.0001581 655. 9955.
10234(58) 0.0002932 655. 10490.
10172(66) 0.0002290 654. 10630.
9754(62) 0.0002624 654. 10272.
9023(60) 0.0002813 654. 9399.
8212(71) 0.0001991 654. 8118.
6788(48) 0.000433 653. 6629.
5404(73) 0.0001879 653. 5148.
3906(35) 0.000832 652.8 3841.7
2727(25) 0.001560 652.5 2799.0
1864(22) 0.002005 652.2 2038.7
1324(19) 0.002799 651.9 1528.1
1042(19) 0.002878 651.6 1209.3
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880(19) 0.002903 651.1 914.6
850(17) 0.003448 650.8 853.5
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828(17) 0.00360 650.2 792.5
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788(17) 0.00366 649.6 760.9
765(21) 0.002283 649.3 749.4
787(21) 0.002223 649.0 739.6
776(16) 0.00381 648.7 731.1
762(15) 0.00466 648.4 723.6
747(16) 0.00387 648.1 717.1
736(20) 0.002391 647.8 711.3
733(16) 0.00404 647.5 706.2
734(17) 0.003368 647.2 701.6
731(16) 0.00400 646.9 697.4
720(16) 0.00403 646.5 693.6
704(20) 0.002493 646.2 690.2
696(15) 0.00470 645.9 687.1
657(29) 0.001154 645.6 684.2
678(15) 0.00442 645.3 681.6
689(13) 0.00557 645.0 679.2
691(15) 0.00425 644.6 676.9
696(14) 0.00508 644.3 674.8
692(14) 0.00478 644.0 672.9
663(14) 0.00503 643.7 671.1
666(15) 0.00431 643.3 669.4
678(14) 0.00492 643.0 667.7
684(14) 0.00533 642.7 666.2
683(14) 0.00536 642.3 664.8
686(13) 0.00594 642.0 663.4
674(14) 0.00490 641.7 662.1
630(18) 0.003258 641.3 660.9
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657(13) 0.00551 640.7 658.6
665(13) 0.00612 640.3 657.6
662(14) 0.00495 640.0 656.5
646(18) 0.003178 639.7 655.5
673(14) 0.00537 639.3 654.6
657(15) 0.00457 639.0 653.7
646(14) 0.00517 638.6 652.8
656(14) 0.00498 638.3 651.9
655(18) 0.003139 638.0 651.1
671(14) 0.00537 637.6 650.3
623(24) 0.001677 637.3 649.5
645(13) 0.00577 636.9 648.8
659(12) 0.00696 636.6 648.0
664(14) 0.00549 636.2 647.3
659(13) 0.00622 635.9 646.6
655(13) 0.00555 635.5 645.9
659(13) 0.00550 635.2 645.2
658(15) 0.00447 634.8 644.6
641(14) 0.00523 634.5 643.9
622(13) 0.00587 634.2 643.3
626(13) 0.00578 633.8 642.7
635(13) 0.00640 633.5 642.1
646(14) 0.00504 633.1 641.5
655(18) 0.003114 632.7 632.8
658(18) 0.003104 632.4 632.4
628(13) 0.00578 632.0 632.1
630(12) 0.00643 631.7 631.7
635(14) 0.00518 631.3 631.4
616(17) 0.003322 631.0 631.0
617(13) 0.00585 630.6 630.7
623(15) 0.00469 630.3 630.3
634(14) 0.00527 629.9 629.9
643(14) 0.00509 629.6 629.6
642(18) 0.003192 629.2 629.2
632(13) 0.00577 628.9 628.9
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637(13) 0.00575 628.2 628.2
635(12) 0.00718 627.8 627.8
634(13) 0.00569 627.4 627.5
635(12) 0.00642 627.1 627.1
632(13) 0.00579 626.7 626.8
618(13) 0.00594 626.4 626.4
617(15) 0.00469 626.0 626.0
619(14) 0.00528 625.7 625.7
619(13) 0.00577 625.3 625.3
623(13) 0.00579 625.0 626.6
630(13) 0.00633 624.6 626.3
627(14) 0.00514 624.2 626.0
601(17) 0.003353 623.9 625.6
649(18) 0.003104 623.5 625.3
632(13) 0.00571 623.2 625.1
615(12) 0.00655 622.8 624.8
613(14) 0.00517 622.5 624.5
640(18) 0.003149 622.1 624.2
631(13) 0.00570 621.8 623.9
642(15) 0.00446 621.4 623.6
644(14) 0.00509 621.0 623.3
626(14) 0.00515 620.7 623.1
601(17) 0.003361 620.3 622.8
608(13) 0.00580 620.0 622.5
632(25) 0.001640 619.6 622.3
630(13) 0.00582 619.3 622.0
630(12) 0.00716 618.9 621.8
632(13) 0.00569 618.6 621.6
619(12) 0.00651 618.2 621.3
609(13) 0.00585 617.9 621.1
614(13) 0.00577 617.5 620.9
610(15) 0.00468 617.2 620.7
606(14) 0.00533 616.8 620.5
602(13) 0.00587 616.5 620.3
590(13) 0.00598 616.1 620.2
593(12) 0.00664 615.8 620.0
606(14) 0.00519 615.4 619.9
625(18) 0.003163 615.1 619.8
595(17) 0.003322 614.7 619.7
599(13) 0.00581 614.4 619.6
607(12) 0.00646 614.0 619.6
615(14) 0.00513 613.7 619.5
618(18) 0.003203 613.3 619.5
606(13) 0.00578 613.0 619.6
590(14) 0.00486 612.6 619.7
586(13) 0.00552 612.3 619.8
595(14) 0.00530 611.9 620.0
603(17) 0.003292 611.6 620.2
607(13) 0.00578 611.2 620.5
608(25) 0.001617 610.9 620.9
598(13) 0.00593 610.6 621.3
591(12) 0.00748 610.2 621.9
586(13) 0.00597 609.9 622.6
595(12) 0.00661 609.5 623.6
610(13) 0.00579 609.2 624.8
625(13) 0.00560 608.9 626.5
625(15) 0.00475 608.5 628.9
633(14) 0.00537 608.2 632.6
651(13) 0.00571 607.8 638.1
655(13) 0.00554 607.5 646.4
672(13) 0.00614 607.2 658.8
690(14) 0.00482 606.8 676.5
701(18) 0.002957 606.5 701.0
724(19) 0.002860 606.2 733.5
762(15) 0.00470 605.8 775.4
801(14) 0.00511 605.5 827.6
856(16) 0.00380 605.2 891.2
942(21) 0.002196 604.8 967.9
1020(17) 0.003481 604.5 1059.7
1127(20) 0.002528 604.2 1169.7
1232(19) 0.002727 603.8 1301.9
1361(21) 0.002345 603.5 1460.0
1564(28) 0.001309 603.2 1646.0
1781(22) 0.002005 602.8 1857.6
2115(47) 0.000462 603. 2084.
2283(25) 0.001582 602.2 2306.4
2423(23) 0.001823 601.9 2494.9
2535(27) 0.001368 601.5 2614.2
2556(25) 0.001575 601.2 2632.9
2501(26) 0.001453 600.9 2533.2
2384(25) 0.001539 600.6 2322.3
2217(27) 0.001353 600.3 2035.1
1946(24) 0.001719 599.9 1720.0
1615(21) 0.002276 599.6 1421.4
1325(18) 0.002967 599.3 1168.7
1047(15) 0.00418 599.0 974.7
828(16) 0.00409 598.7 838.2
718(19) 0.002906 598.3 749.5
683(18) 0.003052 598.0 695.5
646(13) 0.00584 597.7 664.2
637(12) 0.00649 597.4 646.3
635(14) 0.00524 597.1 635.9
617(17) 0.003388 596.8 629.3
617(13) 0.00606 596.5 624.7
608(14) 0.00499 596.2 621.2
605(13) 0.00561 595.9 618.4
601(13) 0.00557 595.5 616.0
572(17) 0.00367 595.2 613.9
587(13) 0.00622 594.9 612.1
616(24) 0.001757 594.6 610.5
584(12) 0.00650 594.3 609.0
571(11) 0.00820 594.0 607.8
575(12) 0.00649 593.7 606.6
572(12) 0.00731 593.4 605.6
571(12) 0.00646 593.1 604.7
584(13) 0.00625 592.8 603.9
584(14) 0.00482 592.5 603.1
579(14) 0.00541 592.2 602.5
579(13) 0.00592 591.9 601.9
585(13) 0.00594 591.6 601.4
588(12) 0.00654 591.3 601.0
581(14) 0.00530 591.0 600.6
560(17) 0.003456 590.8 600.4
592(17) 0.003273 590.5 600.2
591(13) 0.00586 590.2 600.3
595(12) 0.00643 589.9 600.6
592(14) 0.00521 589.6 601.3
570(17) 0.003396 589.3 602.6
570(13) 0.00610 589.0 604.8
591(15) 0.00463 588.7 608.2
608(14) 0.00516 588.5 613.2
606(14) 0.00508 588.2 620.4
595(18) 0.003265 587.9 630.1
630(14) 0.00531 587.6 643.2
645(25) 0.001571 587.3 660.1
671(14) 0.00530 587.0 682.3
700(13) 0.00613 586.8 709.2
734(15) 0.00467 586.5 742.2
773(14) 0.00490 586.2 781.8
821(16) 0.00411 585.9 827.8
884(16) 0.00375 585.7 878.9
945(19) 0.002832 585.4 932.4
983(18) 0.003170 585.1 983.7
1004(17) 0.003392 584.9 1026.9
1032(18) 0.003225 584.6 1055.3
1036(16) 0.00368 584.3 1063.5
1018(18) 0.003029 584.1 1048.7
975(23) 0.001953 583.8 1011.7
915(22) 0.002079 583.5 954.4
838(16) 0.00406 583.3 888.2
773(14) 0.00503 583.0 819.7
708(15) 0.00444 582.7 756.8
628(18) 0.003046 582.5 704.3
614(13) 0.00550 582.2 664.1
610(15) 0.00449 582.0 635.6
604(14) 0.00521 581.7 616.8
589(14) 0.00526 581.4 605.1
572(17) 0.003365 581.2 598.1
590(13) 0.00577 580.9 594.0
569(25) 0.001632 580.7 591.6
563(13) 0.00603 580.4 590.0
567(12) 0.00747 580.2 588.8
579(13) 0.00577 579.9 588.0
574(12) 0.00671 579.7 587.3
568(13) 0.00607 579.4 586.7
575(13) 0.00596 579.2 586.2
580(14) 0.00488 578.9 585.8
589(13) 0.00550 578.7 585.5
588(13) 0.00604 578.5 585.2
563(13) 0.00635 578.2 585.0
563(12) 0.00700 578.0 584.9
573(13) 0.00553 577.7 584.8
575(17) 0.003456 577.5 584.9
570(17) 0.003485 577.3 585.0
580(13) 0.00603 577.0 585.2
583(12) 0.00680 576.8 585.6
590(14) 0.00533 576.5 586.2
615(18) 0.003232 576.3 587.2
615(13) 0.00571 576.1 588.7
614(15) 0.00463 575.9 591.3
618(14) 0.00525 575.6 595.3
626(14) 0.00504 575.4 601.5
637(18) 0.003124 575.2 611.0
640(13) 0.00550 574.9 624.6
668(26) 0.001484 574.7 643.6
687(14) 0.00521 574.5 669.4
718(13) 0.00608 574.3 703.5
761(15) 0.00453 574.0 747.6
824(15) 0.00470 573.8 803.1
900(16) 0.00390 573.6 871.1
986(17) 0.003489 573.4 951.3
1105(21) 0.002246 573.2 1041.0
1209(21) 0.002336 573.0 1133.9
1279(20) 0.002408 572.7 1219.8
1348(21) 0.002366 572.5 1285.4
1354(20) 0.002569 572.3 1317.2
1343(22) 0.002042 572.1 1305.0
1356(28) 0.001297 571.9 1247.0
1241(27) 0.001415 571.7 1152.5
1112(18) 0.002947 571.5 1038.6
977(17) 0.00367 571.3 923.8
849(17) 0.003334 571.1 821.7
736(20) 0.002408 570.8 740.0
647(14) 0.00513 570.6 680.2
625(16) 0.00410 570.4 639.8
624(15) 0.00460 570.2 614.6
606(15) 0.00463 570.0 599.7
578(18) 0.003093 569.8 590.8
586(14) 0.00518 569.6 585.8
599(24) 0.001669 569.4 582.8
585(13) 0.00572 569.2 580.7
579(12) 0.00697 569.0 579.2
581(13) 0.00561 568.9 578.0
586(13) 0.00598 568.7 577.0
583(14) 0.00528 568.5 576.2
563(13) 0.00550 568.3 575.4
552(14) 0.00479 568.1 574.7
547(13) 0.00569 567.9 574.2
551(13) 0.00616 567.7 573.7
565(13) 0.00554 567.5 573.2
562(12) 0.00677 567.3 572.9
547(13) 0.00569 567.2 572.6
523(17) 0.00356 567.0 572.3
569(18) 0.003250 566.8 572.1
568(13) 0.00552 566.6 572.0
573(12) 0.00658 566.4 572.1
580(14) 0.00529 566.2 572.3
586(18) 0.003185 566.1 572.8
576(13) 0.00550 565.9 574.6
591(15) 0.00437 565.7 576.4
591(14) 0.00525 565.5 579.2
567(14) 0.00545 565.4 583.5
550(17) 0.003396 565.2 589.8
564(13) 0.00612 565.0 598.6
613(28) 0.001307 564.8 610.6
617(14) 0.00510 564.7 626.5
629(13) 0.00640 564.5 646.5
650(14) 0.00477 564.3 670.8
687(14) 0.00540 564.2 698.8
721(14) 0.00482 564.0 728.5
731(15) 0.00471 563.8 757.0
763(16) 0.00416 563.7 780.3
790(17) 0.003357 563.5 793.9
745(15) 0.00473 563.4 794.1
754(13) 0.00566 563.2 779.7
749(13) 0.00557 563.0 752.8
723(14) 0.00482 562.9 718.4
674(15) 0.00421 562.7 682.5
641(15) 0.00440 562.6 649.6
617(13) 0.00629 562.4 622.7
595(12) 0.00703 562.2 602.6
573(13) 0.00609 562.1 588.8
578(14) 0.00482 561.9 580.0
569(12) 0.00683 561.8 574.7
557(13) 0.00627 561.6 571.7
555(14) 0.00482 561.5 570.0
589(13) 0.00593 561.3 568.3
547(14) 0.00520 561.2 567.7
545(14) 0.00510 561.0 567.3
576(14) 0.00479 560.9 567.0
580(12) 0.00670 560.7 566.9
573(13) 0.00606 560.6 566.8
571(15) 0.00455 560.5 566.7
566(15) 0.00471 560.3 566.8
552(13) 0.00638 560.2 566.9
554(14) 0.00502 560.0 567.0
572(15) 0.00423 559.9 567.6
586(14) 0.00547 559.8 568.0
590(14) 0.00492 559.6 568.4
587(16) 0.00389 559.5 569.1
576(14) 0.00548 559.3 569.9
592(13) 0.00596 559.2 571.0
600(14) 0.00482 559.1 572.6
595(16) 0.00370 558.9 575.0
580(16) 0.00395 558.8 578.8
588(14) 0.00533 558.7 584.8
604(13) 0.00586 558.6 594.3
624(15) 0.00460 558.4 608.8
648(17) 0.00353 558.3 630.6
675(15) 0.00464 558.2 662.2
730(15) 0.00475 558.0 706.7
791(15) 0.00440 557.9 766.6
857(17) 0.00360 557.8 844.2
940(17) 0.00366 557.7 939.5
1042(19) 0.002687 557.5 1049.8
1158(23) 0.001972 557.4 1167.7
1244(20) 0.002495 557.3 1280.9
1324(24) 0.001774 557.2 1373.1
1380(21) 0.002298 557.1 1426.8
1400(22) 0.002053 556.9 1428.1
1376(24) 0.001694 556.8 1372.3
1287(21) 0.002359 556.7 1268.6
1154(19) 0.002802 556.6 1137.0
1093(34) 0.000874 556.5 1000.0
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790(15) 0.00466 556.2 773.9
693(15) 0.00427 556.1 698.4
614(19) 0.002900 556.0 646.8
613(19) 0.002906 555.9 614.1
603(14) 0.00509 555.8 594.6
592(13) 0.00604 555.7 583.4
583(14) 0.00493 555.6 577.0
580(18) 0.003066 555.5 573.3
574(14) 0.00535 555.4 570.7
573(15) 0.00441 555.3 569.0
568(14) 0.00518 555.2 568.4
567(14) 0.00505 555.1 567.4
584(18) 0.003059 555.0 566.8
559(13) 0.00584 554.8 566.3
580(27) 0.001422 554.7 565.9
562(13) 0.00550 554.6 565.8
556(12) 0.00703 554.5 566.0
565(14) 0.00540 554.4 566.6
573(13) 0.00623 554.3 567.8
575(13) 0.00569 554.2 570.0
567(13) 0.00577 554.2 573.8
593(14) 0.00485 554.1 580.0
599(13) 0.00580 554.0 589.5
590(13) 0.00640 553.9 603.5
623(13) 0.00576 553.8 623.5
651(12) 0.00642 553.7 650.4
684(14) 0.00489 553.6 684.9
729(19) 0.002863 553.5 726.4
758(19) 0.002756 553.4 772.7
799(15) 0.00446 553.3 819.7
839(14) 0.00495 553.2 861.2
864(16) 0.00393 553.1 890.2
859(20) 0.002434 553.0 900.1
867(16) 0.00414 553.0 887.5
851(17) 0.00355 552.9 853.6
821(15) 0.00424 552.8 805.2
772(15) 0.00450 552.7 751.2
689(18) 0.003046 552.6 699.7
671(13) 0.00568 552.5 655.9
673(26) 0.001436 552.4 622.2
610(13) 0.00590 552.4 598.4
577(11) 0.00801 552.3 582.9
573(13) 0.00630 552.2 573.5
567(12) 0.00747 552.1 568.1
566(12) 0.00710 552.0 565.0
573(11) 0.00890 552.0 563.3
577(11) 0.00815 551.9 562.7
578(13) 0.00635 551.8 562.1
572(14) 0.00534 551.7 561.8
568(13) 0.00626 551.6 561.7
570(12) 0.00679 551.6 561.7
572(12) 0.00645 551.5 561.9
580(14) 0.00520 551.4 562.2
555(14) 0.00520 551.3 562.7
549(12) 0.00643 551.3 562.7
582(12) 0.00662 551.2 564.0
597(13) 0.00615 551.1 566.0
598(14) 0.00506 551.1 569.3
602(13) 0.00588 551.0 574.6
610(13) 0.00633 550.9 583.1
612(13) 0.00602 550.8 596.6
626(12) 0.00679 550.8 617.3
657(13) 0.00584 550.7 647.9
706(14) 0.00512 550.6 691.1
755(16) 0.00390 550.6 749.1
836(15) 0.00418 550.5 822.3
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1172(20) 0.002480 550.2 1168.0
1233(19) 0.002884 550.2 1213.3
1226(18) 0.003225 550.1 1218.1
1193(18) 0.002970 550.1 1179.1
1130(20) 0.002498 550.0 1103.2
1042(17) 0.003444 549.9 1005.5
947(16) 0.00410 549.9 902.3
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769(16) 0.00372 549.8 728.2
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645(18) 0.003239 545.9 660.1
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627(12) 0.00665 545.8 626.1
614(14) 0.00539 545.8 609.3
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570(23) 0.001924 545.6 557.9
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572(12) 0.00723 545.6 561.6
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573(14) 0.00516 545.5 571.9
590(13) 0.00575 545.5 579.9
618(13) 0.00599 545.4 593.1
641(13) 0.00562 545.4 614.3
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729(15) 0.00446 545.4 697.7
799(20) 0.002585 545.4 769.1
924(21) 0.002229 545.4 864.6
1010(17) 0.003501 545.3 983.7
1141(17) 0.003489 545.3 1119.9
1277(20) 0.002530 545.3 1260.7
1379(26) 0.001486 545.3 1387.4
1440(20) 0.002465 545.3 1478.8
1491(23) 0.001939 545.2 1515.9
1481(21) 0.002268 545.2 1488.8
1396(20) 0.002391 545.2 1401.1
1274(25) 0.001612 545.2 1270.5
1113(17) 0.003376 545.2 1121.4
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675(13) 0.00552 545.1 682.5
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568(12) 0.00658 545.1 606.4
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570(14) 0.00541 545.0 579.9
575(13) 0.00622 545.0 574.8
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597(13) 0.00584 544.9 573.7
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615(17) 0.00355 544.9 586.1
614(13) 0.00624 544.9 600.3
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689(14) 0.00501 544.8 659.9
721(18) 0.003019 544.8 712.6
813(15) 0.00459 544.8 784.3
924(18) 0.003225 544.8 874.4
1026(17) 0.003444 544.8 977.8
1108(18) 0.003073 544.8 1084.0
1189(23) 0.001822 544.7 1178.1
1259(18) 0.003009 544.7 1243.2
1228(34) 0.000865 544.7 1264.3
1217(18) 0.003167 544.7 1234.6
1158(15) 0.00426 544.7 1159.8
1052(16) 0.00372 544.7 1056.3
946(15) 0.00470 544.6 943.4
832(15) 0.00474 544.6 837.5
703(13) 0.00581 544.6 748.5
654(14) 0.00492 544.6 680.6
629(15) 0.00475 544.6 632.9
578(13) 0.00588 544.6 601.9
566(12) 0.00722 544.5 582.9
566(12) 0.00741 544.5 571.7
575(13) 0.00572 544.5 565.2
581(16) 0.00415 544.5 561.3
551(15) 0.00452 544.5 558.8
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539(11) 0.00776 544.4 555.9
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552(13) 0.00552 544.0 549.7
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570(12) 0.00660 543.9 554.3
566(12) 0.00686 543.9 557.8
550(13) 0.00578 543.9 563.0
571(12) 0.00654 543.9 570.6
579(14) 0.00534 543.9 581.0
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615(14) 0.00503 543.8 612.8
629(16) 0.00368 543.8 634.4
654(14) 0.00536 543.8 659.5
686(15) 0.00441 543.8 686.8
721(16) 0.00385 543.8 714.4
749(15) 0.00451 543.7 739.8
787(15) 0.00461 543.7 759.7
786(16) 0.00376 543.7 770.3
757(16) 0.00413 543.7 767.9
723(14) 0.00477 543.7 753.0
695(14) 0.00530 543.6 727.2
678(15) 0.00435 543.6 694.9
662(16) 0.00402 543.6 661.3
637(14) 0.00490 543.6 630.3
610(13) 0.00565 543.6 604.7
584(13) 0.00634 543.6 585.1
553(14) 0.00541 543.5 571.4
536(13) 0.00586 543.5 562.5
539(12) 0.00643 543.5 557.3
547(12) 0.00667 543.5 554.5
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566(13) 0.00559 543.4 574.0
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631(13) 0.00587 543.3 643.8
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612(15) 0.00433 543.2 650.7
613(13) 0.00577 543.2 643.1
603(13) 0.00631 543.2 629.7
588(13) 0.00564 543.2 613.3
579(15) 0.00462 543.1 596.8
560(15) 0.00475 543.1 582.0
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566(12) 0.00672 543.1 561.4
558(13) 0.00595 543.1 555.4
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539(12) 0.00657 543.0 549.4
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525(15) 0.00444 542.8 546.1
522(12) 0.00642 542.8 546.2
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528(14) 0.00501 542.7 546.9
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557(14) 0.00491 542.7 548.9
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544(14) 0.00530 542.6 561.1
546(16) 0.00373 542.6 565.5
554(16) 0.00373 542.5 569.8
559(13) 0.00606 542.5 573.0
557(12) 0.00670 542.5 574.6
556(14) 0.00518 542.5 574.2
581(17) 0.003501 542.5 571.9
573(13) 0.00595 542.4 568.1
557(14) 0.00505 542.4 563.7
558(14) 0.00492 542.4 559.6
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530(16) 0.00389 542.3 553.4
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550(14) 0.00525 542.1 559.5
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711(14) 0.00527 542.0 685.9
751(16) 0.00408 541.9 723.8
771(18) 0.003153 541.9 766.4
811(18) 0.003163 541.9 812.9
873(17) 0.003295 541.8 861.7
929(16) 0.00406 541.8 909.5
951(18) 0.003239 541.8 950.6
954(19) 0.002682 541.8 977.1
986(19) 0.002919 541.7 981.2
954(16) 0.00405 541.7 958.8
926(16) 0.00410 541.7 912.6
899(18) 0.003188 541.6 851.1
815(14) 0.00482 541.6 784.7
745(15) 0.00419 541.6 722.2
685(16) 0.00370 541.6 669.5
619(15) 0.00463 541.5 628.6
607(16) 0.00386 541.5 599.7
587(13) 0.00614 541.5 580.5
578(14) 0.00533 541.4 568.7
571(15) 0.00467 541.4 561.8
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551(12) 0.00738 541.3 556.1
543(13) 0.00584 541.2 558.3
572(17) 0.00357 541.2 561.9
552(16) 0.00369 541.2 567.1
534(12) 0.00693 541.1 574.0
557(12) 0.00709 541.1 582.3
593(14) 0.00537 541.1 591.3
610(17) 0.003334 541.0 599.8
607(13) 0.00604 541.0 606.5
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603(14) 0.00545 540.9 609.1
597(14) 0.00537 540.9 604.3
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579(13) 0.00612 540.8 587.7
544(22) 0.002011 540.8 579.1
542(12) 0.00694 540.8 571.7
543(11) 0.00842 540.7 566.2
547(12) 0.00671 540.7 562.6
560(12) 0.00713 540.7 560.9
565(13) 0.00631 540.6 560.9
543(12) 0.00657 540.6 562.7
567(15) 0.00469 540.6 566.5
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1246(26) 0.001505 540.2 1181.5
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1370(23) 0.001917 540.1 1356.4
1392(21) 0.002186 540.1 1394.4
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1366(27) 0.001371 540.0 1323.0
1281(20) 0.002600 540.0 1222.0
1105(34) 0.000861 539.9 1098.9
1006(17) 0.003345 539.9 972.5
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752(15) 0.00467 539.8 762.2
676(13) 0.00564 539.8 689.9
631(14) 0.00534 539.7 638.8
588(13) 0.00576 539.7 605.2
557(14) 0.00518 539.6 584.1
540(16) 0.00398 539.6 571.3
573(14) 0.00517 539.6 563.7
564(12) 0.00645 539.5 559.0
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536(13) 0.00639 539.3 548.3
550(14) 0.00535 539.3 547.5
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530(15) 0.00460 538.6 542.1
527(15) 0.00474 538.6 541.9
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551(14) 0.00499 538.2 541.0
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539(13) 0.00592 537.5 542.1
541(12) 0.00717 537.5 543.1
542(13) 0.00577 537.4 544.7
540(15) 0.00421 537.4 547.4
537(13) 0.00582 537.3 551.2
549(12) 0.00703 537.3 556.9
570(14) 0.00542 537.2 564.4
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586(16) 0.00388 537.2 583.3
579(14) 0.00536 537.1 593.5
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623(14) 0.00502 537.0 607.5
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615(13) 0.00631 536.9 599.1
611(13) 0.00603 536.8 590.6
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578(12) 0.00679 536.7 572.4
564(13) 0.00555 536.7 564.6
558(16) 0.00407 536.6 558.3
562(13) 0.00554 536.6 553.6
561(15) 0.00450 536.5 550.6
565(13) 0.00608 536.5 548.8
559(13) 0.00567 536.4 548.4
544(15) 0.00436 536.4 549.2
565(13) 0.00573 536.3 551.7
565(12) 0.00681 536.3 556.7
553(13) 0.00559 536.2 565.2
547(13) 0.00612 536.2 578.9
569(12) 0.00645 536.1 599.2
615(13) 0.00604 536.1 627.4
670(15) 0.00444 536.0 663.6
721(16) 0.00383 536.0 706.5
752(15) 0.00444 535.9 752.2
787(15) 0.00464 535.9 795.2
861(15) 0.00429 535.8 828.6
885(17) 0.003436 535.8 846.0
883(16) 0.00378 535.7 844.3
867(15) 0.00425 535.7 825.0
819(15) 0.00467 535.6 793.2
779(14) 0.00541 535.6 754.8
740(14) 0.00499 535.5 714.8
694(13) 0.00554 535.5 676.7
659(15) 0.00468 535.4 643.2
624(14) 0.00537 535.4 615.5
591(13) 0.00568 535.3 593.6
575(16) 0.00371 535.2 577.1
549(12) 0.00691 535.2 565.3
538(13) 0.00570 535.1 557.2
535(14) 0.00522 535.1 551.8
533(14) 0.00515 535.0 548.4
530(14) 0.00541 535.0 546.4
530(13) 0.00613 534.9 545.5
533(12) 0.00733 534.9 545.5
529(11) 0.00765 534.8 546.5
522(13) 0.00603 534.8 548.8
541(15) 0.00430 534.7 552.9
567(15) 0.00419 534.7 559.4
573(12) 0.00649 534.6 568.7
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1132(19) 0.002674 515.3 1063.1
1064(21) 0.002265 515.3 997.2
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533(12) 0.00660 503.4 549.5
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570(13) 0.00607 503.3 578.4
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585(13) 0.00639 502.5 576.3
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549(15) 0.00430 502.4 551.0
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570(15) 0.00421 501.8 601.7
628(16) 0.00407 501.7 637.2
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837(19) 0.002857 501.4 844.1
872(19) 0.002916 501.3 891.6
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787(16) 0.00396 500.7 770.4
698(17) 0.00365 500.6 720.2
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562(14) 0.00515 437.6 534.6
519(16) 0.00398 437.4 540.9
533(16) 0.00388 437.3 545.0
533(15) 0.00455 437.1 546.1
528(12) 0.00677 437.0 544.3
535(12) 0.00710 436.8 539.5
554(14) 0.00545 436.7 532.4
536(12) 0.00743 436.5 523.7
516(13) 0.00625 436.4 514.5
497(14) 0.00490 436.2 505.8
494(14) 0.00521 436.1 498.4
503(13) 0.00603 435.9 493.0
508(11) 0.00774 435.7 490.5
500(12) 0.00647 435.6 491.3
487(14) 0.00529 435.4 496.0
520(13) 0.00574 435.3 505.4
553(15) 0.00430 435.1 519.6
565(13) 0.00630 435.0 538.8
587(14) 0.00533 434.8 563.4
621(16) 0.00392 434.7 592.3
624(16) 0.00391 434.5 624.7
641(16) 0.00403 434.3 658.8
675(15) 0.00440 434.2 692.2
717(17) 0.003303 434.0 722.2
740(17) 0.003326 433.9 745.4
765(15) 0.00464 433.7 758.9
767(15) 0.00419 433.6 761.0
742(18) 0.003199 433.4 751.6
753(19) 0.002857 433.3 732.1
731(14) 0.00512 433.1 705.5
690(15) 0.00452 433.0 674.7
659(14) 0.00510 432.8 642.4
643(13) 0.00575 432.6 611.2
611(13) 0.00621 432.5 583.0
583(14) 0.00530 432.3 559.3
555(14) 0.00516 432.2 540.7
528(13) 0.00639 432.0 527.2
511(12) 0.00722 431.9 518.6
520(12) 0.00719 431.7 514.2
541(13) 0.00556 431.6 513.1
541(13) 0.00624 431.4 514.3
520(12) 0.00712 431.3 516.7
513(12) 0.00732 431.1 519.3
523(11) 0.00809 431.0 521.6
533(12) 0.00696 430.8 523.0
525(12) 0.00715 430.7 523.8
523(13) 0.00583 430.5 524.2
538(13) 0.00625 430.3 524.8
558(13) 0.00612 430.2 526.0
539(16) 0.00402 430.0 528.2
556(12) 0.00669 429.9 531.6
552(13) 0.00557 429.7 536.4
546(12) 0.00645 429.6 542.5
549(12) 0.00716 429.4 549.9
556(13) 0.00588 429.3 558.1
548(15) 0.00470 429.1 566.5
568(12) 0.00655 429.0 574.2
578(12) 0.00698 428.8 580.3
572(13) 0.00570 428.7 583.8
594(15) 0.00427 428.5 584.3
577(15) 0.00452 428.4 582.3
566(12) 0.00662 428.2 578.4
551(12) 0.00736 428.1 573.6
527(13) 0.00619 427.9 568.7
539(15) 0.00472 427.8 564.1
533(12) 0.00706 427.6 560.1
519(11) 0.00780 427.5 556.3
505(12) 0.00646 427.3 552.1
524(11) 0.00757 427.2 546.8
522(11) 0.00779 427.0 540.0
501(12) 0.00651 426.9 531.4
515(14) 0.00493 426.7 521.4
483(11) 0.00789 426.6 510.4
478(12) 0.00663 426.4 499.3
498(14) 0.00530 426.3 488.2
482(12) 0.00684 426.1 477.8
470(14) 0.00548 426.0 468.5
479(11) 0.00768 425.8 460.4
476(11) 0.00842 425.7 453.7
462(12) 0.00656 425.5 448.1
439(14) 0.00532 425.4 443.7
421(11) 0.00873 425.2 440.4
427(10) 0.00926 425.1 437.9
445(12) 0.00682 424.9 436.0
446(14) 0.00518 424.8 434.6
450(14) 0.00521 424.6 433.4
438(11) 0.00839 424.5 432.7
441(11) 0.00898 424.3 432.0
454(12) 0.00669 424.2 431.5
431(14) 0.00540 424.0 431.1
418(11) 0.00878 423.9 430.8
417(10) 0.00954 423.7 430.5
422(12) 0.00724 423.6 430.3
406(10) 0.00935 423.4 430.1
408(10) 0.00974 423.3 430.0
418(12) 0.00727 423.2 429.9
413(13) 0.00560 423.0 430.0
416(11) 0.00875 422.9 430.1
436(12) 0.00684 422.7 430.5
450(13) 0.00620 422.6 431.0
435(12) 0.00698 422.4 431.9
415(13) 0.00560 422.3 433.1
417(13) 0.00559 422.1 434.7
446(13) 0.00565 422.0 436.8
452(12) 0.00703 421.8 439.6
441(11) 0.00779 421.7 442.9
456(12) 0.00729 421.6 446.8
460(11) 0.00854 421.4 451.2
461(12) 0.00683 421.3 456.0
457(15) 0.00442 421.1 460.9
491(16) 0.00413 421.0 465.5
491(12) 0.00683 420.8 469.7
485(11) 0.00815 420.7 473.1
480(12) 0.00651 420.6 475.2
488(16) 0.00416 420.4 475.9
497(12) 0.00673 420.3 475.2
487(13) 0.00565 420.1 473.2
479(12) 0.00661 420.0 470.4
476(12) 0.00663 419.8 467.3
461(15) 0.00440 419.7 464.5
455(15) 0.00446 419.6 462.5
468(15) 0.00434 419.4 461.9
469(12) 0.00716 419.3 463.0
470(13) 0.00580 419.1 466.4
483(14) 0.00538 419.0 472.1
485(12) 0.00656 418.8 480.4
479(12) 0.00649 418.7 491.2
512(16) 0.00391 418.6 504.0
532(15) 0.00457 418.4 518.5
549(13) 0.00593 418.3 533.7
562(13) 0.00555 418.1 548.7
568(16) 0.00376 418.0 562.0
555(16) 0.00391 417.9 572.6
552(13) 0.00572 417.7 579.1
551(15) 0.00471 417.6 580.4
549(15) 0.00470 417.5 576.6
536(13) 0.00608 417.3 568.1
526(12) 0.00664 417.2 556.1
543(13) 0.00577 417.0 542.0
529(14) 0.00495 416.9 527.2
506(12) 0.00646 416.8 512.8
487(12) 0.00643 416.6 499.9
484(15) 0.00450 416.5 489.0
476(12) 0.00664 416.4 480.6
495(14) 0.00518 416.2 474.7
494(14) 0.00525 416.1 471.2
486(14) 0.00530 415.9 470.0
479(12) 0.00682 415.8 470.5
476(12) 0.00655 415.7 472.2
486(15) 0.00441 415.5 474.6
458(14) 0.00476 415.4 477.2
466(12) 0.00677 415.3 479.4
471(11) 0.00815 415.1 481.0
488(13) 0.00612 415.0 481.7
492(13) 0.00602 414.9 481.7
466(12) 0.00666 414.7 481.0
448(15) 0.00474 414.6 479.9
470(12) 0.00747 414.5 478.6
465(11) 0.00862 414.3 477.5
455(12) 0.00677 414.2 476.7
493(15) 0.00428 414.1 476.5
493(15) 0.00434 413.9 477.1
467(11) 0.00765 413.8 478.6
466(11) 0.00848 413.7 480.8
472(12) 0.00657 413.5 483.6
463(15) 0.00459 413.4 486.7
471(15) 0.00452 413.3 489.6
483(12) 0.00729 413.1 492.0
488(11) 0.00812 413.0 493.7
490(12) 0.00660 412.9 494.5
490(12) 0.00726 412.8 494.5
489(13) 0.00592 412.6 493.6
481(13) 0.00616 412.5 491.7
469(12) 0.00658 412.4 489.1
497(15) 0.00424 412.2 485.9
484(12) 0.00734 412.1 482.6
479(13) 0.00606 412.0 479.7
490(13) 0.00636 411.9 477.7
501(12) 0.00726 411.7 477.2
465(12) 0.00733 411.6 478.6
490(14) 0.00542 411.5 482.0
488(13) 0.00559 411.3 487.5
491(12) 0.00736 411.2 495.0
513(13) 0.00639 411.1 504.3
536(15) 0.00441 411.0 514.6
535(15) 0.00450 410.8 525.3
544(13) 0.00619 410.7 535.3
539(11) 0.00765 410.6 543.7
542(13) 0.00608 410.5 549.6
550(15) 0.00437 410.3 552.2
527(12) 0.00643 410.2 551.3
510(14) 0.00535 410.1 547.4
519(12) 0.00696 410.0 541.4
523(12) 0.00641 409.8 534.1
505(15) 0.00470 409.7 526.7
507(15) 0.00468 409.6 519.9
510(15) 0.00473 409.5 514.2
508(12) 0.00665 409.3 509.9
515(14) 0.00523 409.2 506.9
559(15) 0.00472 409.1 505.1
575(13) 0.00631 409.0 503.7
572(13) 0.00578 408.9 502.3
575(16) 0.00415 408.7 500.2
550(15) 0.00455 408.6 496.8
539(12) 0.00684 408.5 492.0
522(13) 0.00561 408.4 485.8
507(12) 0.00743 408.3 478.7
491(11) 0.00828 408.1 470.9
472(11) 0.00775 408.0 463.1
468(13) 0.00620 407.9 455.4
438(12) 0.00666 407.8 448.3
425(11) 0.00883 407.7 441.9
431(10) 0.00941 407.5 436.4
435(11) 0.00839 407.4 431.8
434(12) 0.00669 407.3 428.1
436(11) 0.00864 407.2 425.3
436(10) 0.00934 407.1 423.2
433(11) 0.00843 407.0 421.7
418(10) 0.01045 406.8 420.7
415(10) 0.00978 406.7 420.1
430(11) 0.00840 406.6 419.8
441(12) 0.00651 406.5 419.7
435(11) 0.00869 406.4 419.9
428(11) 0.00809 406.3 420.1
433(13) 0.00578 406.2 420.7
420(11) 0.00880 406.0 421.2
421(12) 0.00690 405.9 421.9
421(10) 0.00932 405.8 422.9
421(10) 0.01031 405.7 424.3
421(11) 0.00813 405.6 426.2
421(13) 0.00593 405.5 428.7
420(10) 0.00956 405.4 432.1
432(10) 0.01016 405.3 436.5
451(11) 0.00757 405.1 442.1
471(14) 0.00525 405.0 448.9
439(13) 0.00579 404.9 457.2
461(11) 0.00861 404.8 466.8
471(10) 0.00941 404.7 477.7
472(12) 0.00726 404.6 489.6
476(14) 0.00521 404.5 502.1
483(11) 0.00828 404.4 514.9
512(11) 0.00853 404.3 527.3
546(13) 0.00640 404.2 538.9
521(11) 0.00793 404.0 549.1
529(11) 0.00831 403.9 557.3
550(13) 0.00622 403.8 563.1
559(15) 0.00443 403.7 566.6
552(12) 0.00728 403.6 567.6
548(13) 0.00606 403.5 566.6
554(13) 0.00575 403.4 564.1
569(13) 0.00602 403.3 560.5
553(15) 0.00450 403.2 556.9
540(12) 0.00658 403.1 553.6
538(12) 0.00722 403.0 551.0
541(13) 0.00553 402.9 549.2
551(17) 0.00359 402.8 548.2
546(17) 0.00366 402.7 547.7
545(13) 0.00564 402.6 547.3
558(15) 0.00465 402.5 546.7
550(15) 0.00442 402.4 545.9
521(14) 0.00524 402.3 544.5
514(13) 0.00597 402.1 542.6
501(13) 0.00620 402.0 539.9
485(13) 0.00557 401.9 536.2
478(13) 0.00577 401.8 531.4
488(13) 0.00608 401.7 525.4
531(16) 0.00369 401.6 518.3
492(13) 0.00629 401.5 510.2
469(13) 0.00570 401.4 501.5
459(14) 0.00527 401.3 492.4
463(14) 0.00515 401.2 483.4
465(13) 0.00582 401.1 474.7
447(12) 0.00665 401.0 466.9
450(15) 0.00437 400.9 460.4
465(15) 0.00429 400.8 455.3
446(12) 0.00699 400.8 452.1
446(13) 0.00590 400.7 450.8
457(14) 0.00530 400.6 451.8
465(13) 0.00556 400.5 455.2
466(13) 0.00572 400.4 461.1
521(16) 0.00395 400.3 469.7
523(16) 0.00403 400.2 481.0
502(12) 0.00696 400.1 494.6
512(14) 0.00538 400.0 510.4
523(15) 0.00465 399.9 527.8
524(14) 0.00492 399.8 546.1
551(14) 0.00488 399.7 564.4
559(13) 0.00635 399.6 581.6
560(14) 0.00492 399.5 596.3
566(15) 0.00447 399.4 607.3
584(15) 0.00452 399.3 613.5
547(16) 0.00378 399.2 614.2
551(13) 0.00630 399.1 609.4
547(14) 0.00512 399.1 599.8
541(15) 0.00441 399.0 586.6
532(15) 0.00453 398.9 571.1
516(14) 0.00502 398.8 554.9
524(14) 0.00511 398.7 539.2
524(16) 0.00393 398.6 524.8
495(15) 0.00428 398.5 512.8
494(12) 0.00704 398.4 503.4
506(14) 0.00543 398.3 497.1
515(14) 0.00492 398.2 494.1
505(13) 0.00565 398.2 493.6
477(12) 0.00704 398.1 495.5
514(14) 0.00493 398.0 498.9
508(14) 0.00515 397.9 503.5
487(11) 0.00796 397.8 508.3
499(12) 0.00645 397.7 512.4
517(14) 0.00527 397.6 514.9
497(13) 0.00575 397.5 515.3
494(12) 0.00676 397.5 513.3
497(11) 0.00813 397.4 508.7
474(12) 0.00716 397.3 502.1
450(13) 0.00639 397.2 493.9
465(12) 0.00721 397.1 484.6
466(13) 0.00551 397.0 475.0
463(11) 0.00831 397.0 465.5
464(12) 0.00707 396.9 456.5
457(13) 0.00600 396.8 448.1
426(13) 0.00640 396.7 440.9
421(12) 0.00683 396.6 434.8
433(11) 0.00776 396.5 429.9
430(13) 0.00600 396.5 426.2
444(13) 0.00582 396.4 423.6
433(11) 0.00895 396.3 422.1
429(11) 0.00765 396.2 421.8
436(13) 0.00608 396.1 422.6
440(13) 0.00575 396.1 424.4
423(11) 0.00813 396.0 427.4
433(13) 0.00613 395.9 431.5
441(13) 0.00603 395.8 436.8
433(11) 0.00867 395.7 443.2
438(12) 0.00741 395.7 450.7
456(14) 0.00544 395.6 459.1
460(13) 0.00551 395.5 468.2
475(12) 0.00716 395.4 477.8
495(11) 0.00816 395.3 487.3
517(13) 0.00628 395.3 496.5
534(15) 0.00474 395.2 504.5
528(12) 0.00647 395.1 510.9
520(14) 0.00515 395.0 515.2
504(12) 0.00746 395.0 517.1
507(13) 0.00639 394.9 516.8
518(14) 0.00481 394.8 514.2
490(14) 0.00507 394.7 510.1
506(14) 0.00501 394.7 505.3
488(12) 0.00703 394.6 500.6
492(14) 0.00540 394.5 496.7
498(14) 0.00533 394.4 494.2
493(11) 0.00761 394.4 493.7
503(11) 0.00803 394.3 495.5
534(13) 0.00610 394.2 499.9
514(14) 0.00487 394.2 506.9
533(12) 0.00718 394.1 516.2
557(13) 0.00577 394.0 527.5
564(14) 0.00528 393.9 540.4
544(13) 0.00618 393.9 553.9
563(12) 0.00705 393.8 567.3
570(13) 0.00571 393.7 579.7
581(15) 0.00473 393.7 590.0
588(14) 0.00506 393.6 597.5
552(13) 0.00609 393.5 601.5
568(12) 0.00700 393.5 601.8
579(13) 0.00560 393.4 598.5
583(15) 0.00474 393.3 592.4
576(14) 0.00518 393.2 584.4
559(13) 0.00602 393.2 575.4
570(12) 0.00698 393.1 566.2
573(12) 0.00741 393.0 557.6
571(13) 0.00581 393.0 550.3
558(15) 0.00441 392.9 543.9
576(12) 0.00662 392.8 538.9
564(13) 0.00590 392.8 535.2
548(14) 0.00546 392.7 532.5
573(13) 0.00578 392.6 530.4
561(15) 0.00439 392.6 528.8
570(13) 0.00617 392.5 527.6
555(12) 0.00704 392.5 526.6
543(13) 0.00566 392.4 526.1
553(16) 0.00397 392.3 526.0
560(13) 0.00587 392.3 526.4
547(12) 0.00712 392.2 527.3
546(13) 0.00558 392.1 528.6
575(16) 0.00375 392.1 530.0
535(16) 0.00409 392.0 531.3
553(13) 0.00592 391.9 532.1
558(12) 0.00690 391.9 532.1
560(13) 0.00552 391.8 531.0
558(16) 0.00395 391.8 528.7
561(13) 0.00586 391.7 525.2
538(12) 0.00728 391.6 520.8
523(12) 0.00667 391.6 515.8
537(13) 0.00607 391.5 510.6
524(12) 0.00742 391.5 505.7
516(13) 0.00596 391.4 501.8
523(15) 0.00421 391.3 499.2
519(13) 0.00633 391.3 498.5
532(14) 0.00489 391.2 500.0
524(13) 0.00623 391.2 503.9
512(13) 0.00601 391.1 510.4
527(15) 0.00422 391.0 519.5
531(13) 0.00612 391.0 531.0
555(12) 0.00697 390.9 544.6
571(13) 0.00562 390.9 559.7
579(15) 0.00424 390.8 575.8
603(15) 0.00429 390.7 592.1
587(13) 0.00568 390.7 607.8
619(16) 0.00410 390.6 622.0
622(15) 0.00424 390.6 634.0
626(13) 0.00554 390.5 643.1
616(13) 0.00621 390.5 648.6
575(13) 0.00580 390.4 650.0
588(15) 0.00434 390.3 647.2
586(13) 0.00594 390.3 639.9
573(13) 0.00569 390.2 628.8
554(15) 0.00475 390.2 614.5
551(13) 0.00603 390.1 598.0
554(15) 0.00463 390.1 580.1
539(14) 0.00493 390.0 562.2
546(14) 0.00476 390.0 545.0
542(12) 0.00646 389.9 529.1
521(13) 0.00628 389.9 515.3
499(14) 0.00497 389.8 504.1
506(14) 0.00518 389.7 495.8
489(12) 0.00684 389.7 490.7
489(14) 0.00529 389.6 489.2
485(13) 0.00615 389.6 491.3
489(12) 0.00701 389.5 497.0
507(12) 0.00728 389.5 506.4
514(14) 0.00486 389.4 519.4
541(15) 0.00470 389.4 535.7
552(12) 0.00732 389.3 555.0
586(13) 0.00570 389.3 576.8
633(15) 0.00472 389.2 600.4
678(14) 0.00504 389.2 625.0
717(14) 0.00539 389.1 649.4
740(13) 0.00553 389.1 672.4
783(15) 0.00426 389.0 692.9
817(15) 0.00417 389.0 709.2
820(15) 0.00449 388.9 720.1
811(18) 0.003073 388.9 724.8
797(14) 0.00507 388.8 722.8
750(15) 0.00467 388.8 714.5
708(15) 0.00426 388.7 700.7
699(15) 0.00432 388.7 682.8
662(14) 0.00515 388.6 662.1
603(13) 0.00612 388.6 639.9
585(15) 0.00426 388.5 617.6
588(15) 0.00431 388.5 595.9
550(12) 0.00747 388.4 575.8
529(12) 0.00649 388.4 557.7
527(14) 0.00525 388.3 542.0
531(15) 0.00439 388.3 528.7
524(12) 0.00733 388.2 518.0
534(13) 0.00595 388.2 509.5
527(14) 0.00527 388.1 503.2
489(13) 0.00613 388.1 498.8
496(12) 0.00664 388.0 496.0
476(14) 0.00507 388.0 494.4
503(14) 0.00480 387.9 493.7
501(11) 0.00765 387.9 493.4
490(11) 0.00859 387.8 493.3
477(12) 0.00691 387.8 493.0
460(14) 0.00524 387.8 492.2
466(11) 0.00819 387.7 490.8
466(12) 0.00696 387.7 488.9
466(12) 0.00646 387.6 486.5
478(12) 0.00688 387.6 483.9
488(14) 0.00488 387.5 481.4
496(14) 0.00491 387.5 479.4
489(14) 0.00498 387.4 478.0
486(11) 0.00789 387.4 477.7
487(12) 0.00660 387.3 478.5
488(13) 0.00563 387.3 480.8
493(13) 0.00609 387.2 484.6
510(12) 0.00645 387.2 490.3
502(14) 0.00478 387.2 497.9
518(15) 0.00473 387.1 507.5
524(12) 0.00674 387.1 519.2
534(13) 0.00585 387.0 533.0
550(15) 0.00472 387.0 548.8
547(13) 0.00569 386.9 566.4
582(12) 0.00654 386.9 585.6
613(14) 0.00508 386.8 605.9
630(16) 0.00389 386.8 626.7
627(16) 0.00415 386.7 647.1
653(15) 0.00476 386.7 666.6
666(13) 0.00578 386.7 683.9
677(15) 0.00463 386.6 698.3
691(16) 0.00375 386.6 709.1
720(15) 0.00432 386.5 715.8
715(14) 0.00541 386.5 718.1
702(14) 0.00548 386.4 716.2
679(15) 0.00458 386.4 710.4
685(13) 0.00563 386.3 701.3
677(15) 0.00470 386.3 689.8
659(16) 0.00394 386.3 676.9
669(15) 0.00461 386.2 663.6
634(16) 0.00391 386.2 650.8
623(13) 0.00568 386.1 639.3
628(14) 0.00500 386.1 629.5
631(15) 0.00436 386.0 622.1
612(13) 0.00579 386.0 617.3
630(14) 0.00507 385.9 615.1
604(15) 0.00433 385.9 615.5
615(14) 0.00538 385.9 618.3
633(13) 0.00569 385.8 623.3
614(14) 0.00521 385.8 630.5
629(16) 0.00405 385.7 639.6
633(16) 0.00403 385.7 650.4
650(14) 0.00510 385.6 662.9
669(14) 0.00535 385.6 676.5
671(15) 0.00474 385.5 690.9
710(17) 0.00355 385.5 705.5
747(15) 0.00443 385.5 719.6
778(15) 0.00459 385.4 732.5
805(16) 0.00392 385.4 743.2
803(14) 0.00480 385.3 751.1
799(15) 0.00449 385.3 755.4
797(16) 0.00398 385.2 756.0
787(18) 0.003262 385.2 752.8
777(15) 0.00428 385.1 746.2
758(16) 0.00413 385.1 736.8
727(18) 0.003049 385.1 725.2
725(15) 0.00442 385.0 711.9
670(16) 0.00394 385.0 697.5
642(14) 0.00535 384.9 682.4
642(13) 0.00587 384.9 666.9
649(15) 0.00462 384.8 651.1
605(16) 0.00395 384.8 635.1
585(16) 0.00409 384.7 619.2
586(13) 0.00608 384.7 603.5
597(14) 0.00506 384.7 588.1
605(16) 0.00412 384.6 573.2
579(15) 0.00451 384.6 559.0
510(13) 0.00590 384.5 545.6
516(12) 0.00727 384.5 533.1
516(13) 0.00593 384.4 521.7
505(14) 0.00519 384.4 511.1
481(13) 0.00626 384.3 501.7
504(15) 0.00463 384.3 493.2
492(12) 0.00732 384.2 485.6
483(13) 0.00632 384.2 479.0
478(14) 0.00524 384.2 473.4
469(14) 0.00534 384.1 468.8
462(13) 0.00570 384.1 465.1
448(12) 0.00673 384.0 462.6
456(14) 0.00515 384.0 461.1
472(14) 0.00502 383.9 460.6
473(11) 0.00759 383.9 461.2
472(12) 0.00644 383.8 462.8
476(14) 0.00507 383.8 465.0
482(15) 0.00430 383.7 468.1
490(12) 0.00701 383.7 471.9
484(13) 0.00577 383.6 476.1
494(14) 0.00530 383.6 480.5
507(12) 0.00647 383.5 484.9
506(13) 0.00626 383.5 489.2
509(16) 0.00406 383.4 493.2
483(15) 0.00429 383.4 496.8
502(12) 0.00682 383.3 499.6
505(11) 0.00786 383.3 501.7
504(13) 0.00628 383.2 502.9
508(16) 0.00407 383.2 503.1
509(12) 0.00677 383.1 502.1
495(13) 0.00564 383.1 500.0
492(12) 0.00664 383.0 496.8
498(13) 0.00639 383.0 492.6
491(15) 0.00421 382.9 487.5
483(15) 0.00429 382.9 481.7
461(15) 0.00452 382.8 475.3
476(12) 0.00719 382.8 468.8
462(13) 0.00607 382.7 462.0
453(13) 0.00582 382.7 455.1
459(12) 0.00715 382.6 448.5
463(11) 0.00775 382.6 442.1
456(11) 0.00771 382.5 436.2
437(12) 0.00665 382.5 430.7
433(11) 0.00780 382.4 425.8
436(12) 0.00752 382.4 421.2
423(14) 0.00506 382.3 417.5
398(10) 0.00917 382.3 414.4
409(10) 0.00984 382.2 411.9
430(12) 0.00754 382.2 410.0
446(14) 0.00481 382.1 408.6
425(14) 0.00504 382.1 407.8
422(11) 0.00853 382.0 407.3
424(10) 0.00961 382.0 407.3
428(11) 0.00760 381.9 407.6
433(14) 0.00495 381.8 408.3
412(14) 0.00523 381.8 409.1
432(11) 0.00828 381.7 410.2
432(10) 0.00948 381.7 411.3
427(11) 0.00859 381.6 412.5
424(11) 0.00845 381.6 413.6
430(12) 0.00661 381.5 414.9
428(11) 0.00789 381.4 415.8
418(11) 0.00782 381.4 416.6
411(14) 0.00524 381.3 417.1
431(11) 0.00829 381.3 417.3
430(12) 0.00671 381.2 417.4
420(11) 0.00837 381.2 417.3
415(10) 0.00941 381.1 417.0
418(11) 0.00832 381.0 416.7
406(12) 0.00676 381.0 416.3
414(12) 0.00647 380.9 416.0
404(10) 0.00943 380.9 415.7
402(11) 0.00816 380.8 415.5
422(13) 0.00593 380.7 415.5
443(13) 0.00577 380.7 415.6
428(11) 0.00822 380.6 415.9
416(10) 0.01000 380.6 416.2
415(11) 0.00799 380.5 416.7
425(13) 0.00605 380.4 417.3
445(11) 0.00783 380.4 418.0
428(12) 0.00644 380.3 418.6
423(11) 0.00893 380.2 419.3
422(11) 0.00792 380.2 419.9
418(13) 0.00602 380.1 420.5
427(13) 0.00589 380.1 421.2
442(13) 0.00579 380.0 421.9
427(11) 0.00823 379.9 422.8
421(12) 0.00647 379.9 423.8
434(13) 0.00617 379.8 425.2
439(11) 0.00861 379.7 427.0
444(10) 0.00934 379.7 429.3
454(12) 0.00727 379.6 432.1
444(14) 0.00510 379.5 435.6
446(11) 0.00853 379.5 439.7
455(12) 0.00685 379.4 444.7
461(12) 0.00732 379.3 450.4
466(11) 0.00799 379.3 457.1
490(11) 0.00774 379.2 464.6
484(12) 0.00656 379.1 472.8
476(13) 0.00604 379.0 481.9
496(12) 0.00679 379.0 491.7
526(12) 0.00709 378.9 502.2
530(12) 0.00723 378.8 513.1
546(13) 0.00568 378.8 524.5
555(14) 0.00521 378.7 536.0
560(13) 0.00604 378.6 547.5
575(12) 0.00648 378.5 558.6
588(12) 0.00647 378.5 569.3
594(12) 0.00731 378.4 579.0
596(13) 0.00583 378.3 587.7
597(16) 0.00376 378.2 595.1
602(13) 0.00630 378.2 601.3
602(14) 0.00521 378.1 606.2
614(14) 0.00549 378.0 609.9
635(14) 0.00547 377.9 612.7
623(17) 0.00360 377.9 614.7
608(14) 0.00524 377.8 616.3
601(12) 0.00644 377.7 617.7
598(14) 0.00521 377.6 618.9
605(14) 0.00533 377.6 620.3
620(13) 0.00583 377.5 621.8
617(13) 0.00615 377.4 623.4
608(14) 0.00515 377.3 625.1
615(15) 0.00452 377.2 626.6
632(14) 0.00511 377.2 627.8
624(13) 0.00577 377.1 628.4
618(13) 0.00614 377.0 628.2
622(14) 0.00498 376.9 627.1
625(14) 0.00518 376.8 625.0
621(13) 0.00582 376.7 622.1
623(13) 0.00607 376.7 618.4
612(12) 0.00697 376.6 614.1
597(13) 0.00607 376.5 609.7
597(13) 0.00633 376.4 605.3
590(14) 0.00530 376.3 601.1
582(13) 0.00555 376.2 597.5
586(13) 0.00577 376.1 594.6
613(17) 0.00365 376.1 592.4
602(13) 0.00621 376.0 591.0
592(14) 0.00528 375.9 590.3
585(14) 0.00479 375.8 590.3
573(15) 0.00423 375.7 590.7
558(17) 0.003472 375.6 591.2
577(15) 0.00425 375.5 591.7
569(13) 0.00588 375.4 591.8
558(13) 0.00567 375.3 591.3
550(15) 0.00448 375.2 589.9
554(17) 0.00366 375.1 587.4
552(16) 0.00373 375.1 583.6
531(13) 0.00576 375.0 578.6
511(13) 0.00623 374.9 572.1
499(14) 0.00496 374.8 564.5
483(15) 0.00429 374.7 555.7
479(13) 0.00625 374.6 546.0
477(13) 0.00551 374.5 535.6
473(16) 0.00415 374.4 524.7
483(14) 0.00509 374.3 513.6
477(15) 0.00432 374.2 502.5
473(15) 0.00442 374.1 491.7
456(15) 0.00458 374.0 481.2
454(12) 0.00666 373.9 471.3
445(13) 0.00604 373.8 462.0
424(15) 0.00456 373.7 453.4
431(15) 0.00457 373.6 445.9
424(13) 0.00589 373.5 439.0
415(14) 0.00500 373.4 433.2
430(14) 0.00497 373.3 428.2
436(14) 0.00541 373.2 424.1
416(12) 0.00641 373.1 420.9
413(15) 0.00437 373.0 418.6
416(12) 0.00657 372.9 417.1
417(11) 0.00775 372.8 416.4
415(13) 0.00640 372.7 416.6
406(15) 0.00444 372.6 417.5
423(15) 0.00427 372.4 419.1
418(12) 0.00654 372.3 421.5
424(12) 0.00754 372.2 424.5
436(13) 0.00604 372.1 428.2
437(16) 0.00409 372.0 432.5
430(12) 0.00642 371.9 437.4
441(12) 0.00732 371.8 442.8
463(13) 0.00590 371.7 448.7
492(13) 0.00559 371.6 455.0
486(12) 0.00675 371.5 461.7
465(13) 0.00576 371.3 468.6
479(16) 0.00374 371.2 475.7
490(13) 0.00554 371.1 482.9
488(14) 0.00484 371.0 489.9
485(14) 0.00486 370.9 496.8
492(14) 0.00540 370.8 503.4
516(17) 0.003424 370.6 509.6
509(13) 0.00626 370.5 515.4
517(12) 0.00741 370.4 520.7
535(13) 0.00597 370.3 525.6
545(15) 0.00424 370.2 530.2
550(15) 0.00428 370.1 534.4
551(12) 0.00692 369.9 538.3
549(13) 0.00570 369.8 542.1
565(14) 0.00482 369.7 545.7
580(14) 0.00518 369.6 549.1
549(13) 0.00597 369.5 552.3
554(12) 0.00699 369.3 555.2
584(14) 0.00524 369.2 557.8
602(14) 0.00500 369.1 559.8
583(14) 0.00547 369.0 561.1
590(16) 0.00392 368.8 561.6
589(12) 0.00646 368.7 561.1
610(14) 0.00504 368.6 559.5
610(15) 0.00455 368.5 556.6
566(14) 0.00490 368.3 552.6
549(14) 0.00549 368.2 547.4
561(13) 0.00572 368.1 541.2
529(15) 0.00440 367.9 534.1
522(15) 0.00450 367.8 526.3
506(11) 0.00760 367.7 518.0
501(13) 0.00624 367.6 509.3
495(13) 0.00570 367.4 500.5
473(13) 0.00637 367.3 491.7
440(11) 0.00780 367.2 483.0
458(13) 0.00571 367.0 474.7
446(10) 0.00909 366.9 466.6
438(10) 0.01010 366.8 459.1
435(11) 0.00786 366.6 452.1
426(13) 0.00620 366.5 445.7
432(13) 0.00614 366.4 440.0
435(10) 0.00926 366.2 434.9
437(10) 0.01008 366.1 430.6
439(11) 0.00778 365.9 427.1
439(13) 0.00598 365.8 424.3
427(10) 0.00948 365.7 422.3
431(10) 0.01018 365.5 421.1
445(11) 0.00765 365.4 420.8
435(10) 0.00971 365.2 421.2
435(10) 0.01012 365.1 422.5
442(11) 0.00771 365.0 424.7
430(13) 0.00614 364.8 427.6
430(10) 0.00935 364.7 431.5
434(11) 0.00783 364.5 436.1
443(12) 0.00684 364.4 441.6
461(12) 0.00741 364.3 447.8
459(13) 0.00573 364.1 454.9
474(13) 0.00557 364.0 462.6
467(13) 0.00615 363.8 471.0
468(11) 0.00772 363.7 479.9
482(11) 0.00807 363.5 489.3
504(12) 0.00732 363.4 499.1
506(11) 0.00861 363.2 509.0
508(12) 0.00682 363.1 519.1
523(15) 0.00446 362.9 529.0
539(15) 0.00435 362.8 538.6
535(12) 0.00699 362.6 547.8
531(11) 0.00820 362.5 556.3
525(12) 0.00669 362.3 564.1
514(15) 0.00458 362.2 570.9
548(12) 0.00677 362.0 576.8
549(14) 0.00546 361.9 581.6
545(12) 0.00664 361.7 585.4
544(13) 0.00640 361.6 588.2
547(15) 0.00427 361.4 590.3
564(16) 0.00415 361.3 591.6
542(15) 0.00435 361.1 592.5
537(12) 0.00698 361.0 593.0
562(14) 0.00524 360.8 593.3
563(14) 0.00520 360.7 593.7
562(12) 0.00641 360.5 594.2
582(12) 0.00675 360.3 594.9
610(13) 0.00607 360.2 596.0
604(14) 0.00497 360.0 597.5
608(13) 0.00614 359.9 599.4
626(13) 0.00560 359.7 601.6
647(16) 0.00386 359.6 604.0
650(13) 0.00572 359.4 606.5
664(12) 0.00659 359.2 608.9
666(14) 0.00535 359.1 611.0
647(16) 0.00382 358.9 612.6
659(16) 0.00380 358.8 613.5
666(13) 0.00560 358.6 613.4
676(12) 0.00648 358.4 612.3
671(14) 0.00532 358.3 609.9
640(16) 0.00387 358.1 606.3
625(16) 0.00403 358.0 601.4
613(13) 0.00609 357.8 595.3
592(12) 0.00754 357.6 588.2
576(12) 0.00704 357.5 580.1
574(12) 0.00646 357.3 571.3
565(14) 0.00527 357.2 562.1
551(12) 0.00682 357.0 552.5
531(12) 0.00675 356.8 542.7
506(14) 0.00499 356.7 533.1
506(12) 0.00737 356.5 523.7
496(13) 0.00603 356.3 514.7
491(11) 0.00800 356.2 506.3
486(10) 0.00910 356.0 498.5
472(12) 0.00751 355.8 491.5
462(13) 0.00603 355.7 485.4
463(13) 0.00608 355.5 480.2
450(10) 0.00946 355.3 475.9
444(11) 0.00810 355.2 472.5
451(12) 0.00657 355.0 470.1
465(12) 0.00676 354.8 468.6
479(12) 0.00739 354.7 468.0
464(10) 0.00965 354.5 468.2
462(11) 0.00776 354.3 469.1
473(12) 0.00666 354.2 470.7
490(12) 0.00723 354.0 472.8
488(13) 0.00569 353.8 475.4
492(11) 0.00857 353.7 478.3
495(12) 0.00728 353.5 481.5
497(13) 0.00597 353.3 484.8
503(13) 0.00590 353.2 488.2
504(13) 0.00624 353.0 491.4
491(12) 0.00721 352.8 494.6
484(13) 0.00574 352.7 497.5
506(13) 0.00551 352.5 500.2
495(11) 0.00859 352.3 502.7
489(10) 0.00925 352.2 505.0
492(12) 0.00697 352.0 507.0
480(13) 0.00553 351.8 508.8
501(11) 0.00809 351.7 510.5
503(12) 0.00692 351.5 511.9
492(13) 0.00607 351.3 513.3
490(12) 0.00681 351.2 514.5
492(11) 0.00870 351.0 515.6
488(12) 0.00712 350.8 516.6
482(13) 0.00588 350.6 517.4
482(13) 0.00621 350.5 518.1
484(12) 0.00690 350.3 518.6
473(10) 0.00910 350.1 518.9
467(12) 0.00741 350.0 519.1
475(13) 0.00594 349.8 519.0
495(13) 0.00607 349.6 518.9
488(12) 0.00684 349.5 518.6
473(10) 0.00914 349.3 518.4
467(10) 0.00941 349.1 518.1
468(12) 0.00712 349.0 518.0
478(13) 0.00550 348.8 518.2
468(11) 0.00875 348.6 518.6
469(12) 0.00728 348.5 519.4
478(13) 0.00628 348.3 520.6
475(12) 0.00703 348.1 522.2
503(14) 0.00519 348.0 524.4
527(11) 0.00774 347.8 527.0
532(11) 0.00904 347.6 530.2
533(12) 0.00721 347.5 533.8
540(15) 0.00468 347.3 537.7
541(12) 0.00704 347.2 542.0
559(11) 0.00843 347.0 546.5
578(12) 0.00661 346.8 551.0
591(15) 0.00424 346.7 555.5
598(15) 0.00421 346.5 559.8
599(13) 0.00632 346.3 563.8
616(11) 0.00764 346.2 567.1
624(13) 0.00618 346.0 569.8
605(15) 0.00418 345.9 571.7
633(13) 0.00595 345.7 572.5
617(11) 0.00776 345.5 572.3
602(12) 0.00705 345.4 571.0
609(13) 0.00619 345.2 568.5
595(11) 0.00806 345.1 565.0
575(12) 0.00671 344.9 560.3
554(15) 0.00456 344.7 554.8
568(12) 0.00665 344.6 548.3
571(13) 0.00554 344.4 541.2
565(12) 0.00696 344.3 533.4
547(12) 0.00709 344.1 525.2
514(14) 0.00490 344.0 516.7
492(14) 0.00508 343.8 508.0
481(14) 0.00508 343.7 499.3
460(11) 0.00900 343.5 490.7
455(10) 0.01072 343.4 482.2
455(10) 0.00937 343.2 474.1
451(10) 0.00909 343.1 466.4
445(11) 0.00764 342.9 459.1
438(12) 0.00737 342.8 452.3
430(11) 0.00907 342.6 446.1
421(10) 0.01012 342.5 440.5
416(10) 0.00984 342.3 435.4
411(11) 0.00829 342.2 431.1
413(10) 0.00948 342.0 427.3
418(10) 0.00941 341.9 424.2
413(13) 0.00596 341.7 421.6
430(10) 0.00948 341.6 419.7
429(11) 0.00794 341.5 418.3
443(12) 0.00718 341.3 417.4
453(12) 0.00717 341.2 416.9
442(11) 0.00883 341.1 416.9
435(11) 0.00904 340.9 417.3
423(13) 0.00580 340.8 418.0
435(13) 0.00564 340.6 419.0
436(10) 0.00941 340.5 420.3
436(11) 0.00776 340.4 421.6
439(12) 0.00707 340.3 423.2
440(11) 0.00776 340.1 424.7
439(11) 0.00815 340.0 426.3
449(14) 0.00539 339.9 427.9
443(10) 0.00912 339.7 429.4
438(10) 0.01041 339.6 430.8
436(11) 0.00819 339.5 432.1
445(14) 0.00544 339.4 433.3
432(13) 0.00570 339.3 434.2
434(10) 0.00926 339.1 435.0
429(10) 0.01065 339.0 435.7
422(11) 0.00849 338.9 436.1
417(13) 0.00582 338.8 436.4
432(10) 0.00926 338.7 436.5
437(10) 0.01043 338.6 436.4
436(11) 0.00861 338.5 436.1
424(10) 0.00965 338.4 435.7
424(10) 0.01072 338.2 435.1
429(11) 0.00836 338.1 434.3
431(13) 0.00561 338.0 433.3
419(10) 0.00967 337.9 432.2
429(11) 0.00764 337.8 430.9
432(11) 0.00792 337.7 429.4
418(11) 0.00857 337.6 427.7
419(13) 0.00577 337.6 426.0
423(10) 0.00952 337.5 424.0
433(10) 0.01065 337.4 422.0
444(11) 0.00826 337.3 420.0
458(14) 0.00516 337.2 417.8
425(13) 0.00559 337.1 415.7
429(10) 0.00939 337.0 413.5
432(11) 0.00759 336.9 411.4
436(12) 0.00713 336.9 409.4
431(11) 0.00840 336.8 407.4
419(10) 0.00934 336.7 405.6
423(10) 0.00950 336.6 403.9
437(12) 0.00743 336.6 402.4
437(11) 0.00831 336.5 401.0
423(11) 0.00865 336.4 399.8
439(14) 0.00538 336.4 398.8
439(10) 0.00919 336.3 398.1
439(12) 0.00746 336.3 397.5
434(12) 0.00721 336.2 397.2
431(12) 0.00722 336.1 397.1
437(11) 0.00828 336.1 397.2
443(11) 0.00828 336.0 397.5
443(14) 0.00534 336.0 398.1
434(14) 0.00545 336.0 398.8
433(10) 0.00934 335.9 399.8
415(11) 0.00809 335.9 400.9
405(11) 0.00786 335.8 402.2
405(11) 0.00864 335.8 403.6
401(10) 0.00932 335.8 405.2
408(12) 0.00660 335.7 407.0
430(13) 0.00631 335.7 408.8
425(10) 0.01037 335.7 410.8
428(11) 0.00840 335.7 412.8
426(12) 0.00755 335.7 414.8
417(11) 0.00839 335.6 416.9
420(11) 0.00907 335.6 419.0
426(10) 0.01043 335.6 421.0
427(11) 0.00848 335.6 423.0
424(11) 0.00825 335.6 424.8
420(11) 0.00887 335.6 426.5
427(13) 0.00629 335.6 428.1
412(10) 0.01072 335.6 429.4
429(11) 0.00822 335.6 430.5
440(12) 0.00733 335.7 431.3
418(11) 0.00769 335.7 431.9
409(11) 0.00856 335.7 432.1
411(11) 0.00904 335.7 432.0
427(13) 0.00627 335.7 431.5
419(12) 0.00651 335.8 430.7
421(10) 0.01041 335.8 429.7
422(11) 0.00857 335.9 428.2
417(11) 0.00769 335.9 426.5
407(11) 0.00836 335.9 424.6
408(11) 0.00904 336.0 422.4
409(12) 0.00682 336.0 420.0
406(10) 0.01087 336.1 417.4
405(9) 0.01197 336.2 414.6
403(10) 0.00912 336.2 411.8
384(12) 0.00731 336.3 408.9
391(12) 0.00719 336.4 405.9
394(9) 0.01120 336.4 402.9
392(9) 0.01240 336.5 399.9
387(10) 0.00952 336.6 397.0
359(11) 0.00783 336.7 394.1
368(9) 0.01194 336.8 391.3
384(9) 0.01251 336.9 388.6
400(10) 0.00928 337.0 386.1
396(9) 0.01146 337.1 383.7
398(9) 0.01216 337.2 381.4
402(10) 0.00917 337.3 379.3
388(12) 0.00721 337.4 377.4
374(9) 0.01189 337.5 375.6
376(10) 0.00967 337.7 374.0
380(11) 0.00895 337.8 372.7
373(10) 0.00990 337.9 371.4
382(12) 0.00727 338.1 370.4
376(10) 0.01065 338.2 369.6
372(9) 0.01161 338.4 368.9
367(10) 0.00930 338.5 368.4
357(13) 0.00630 338.7 368.1
390(10) 0.00971 338.9 367.9
388(9) 0.01110 339.0 367.9
378(11) 0.00898 339.2 368.0
368(13) 0.00605 339.4 368.3
395(13) 0.00564 339.6 368.6
391(10) 0.00980 339.8 369.1
384(9) 0.01125 340.0 369.8
376(11) 0.00905 340.2 370.5
365(13) 0.00612 340.4 371.3
366(10) 0.01041 340.6 372.2
375(9) 0.01134 340.8 373.1
380(10) 0.00982 341.0 374.1
370(10) 0.01035 341.2 375.2
383(10) 0.01106 341.5 376.3
390(11) 0.00878 341.7 377.4
366(13) 0.00611 342.0 378.6
378(10) 0.01002 342.2 379.8
382(11) 0.00789 342.5 380.9
387(11) 0.00892 342.7 382.1
393(11) 0.00867 343.0 383.2
391(13) 0.00571 343.3 384.3
380(13) 0.00588 343.6 385.4
368(13) 0.00586 343.8 386.4
393(10) 0.00923 344.1 387.4
387(10) 0.01087 344.4 388.3
379(10) 0.00956 344.8 389.1
387(10) 0.00937 345.1 389.9
384(11) 0.00764 345.4 390.6
378(12) 0.00742 345.7 391.3
380(11) 0.00880 346.0 391.9
386(10) 0.00935 346.4 392.4
384(10) 0.00946 346.7 392.9
388(12) 0.00748 347.1 393.3
390(11) 0.00859 347.4 393.8
391(11) 0.00840 347.8 394.1
404(14) 0.00535 348.2 394.5
393(10) 0.00932 348.6 394.9
385(11) 0.00760 348.9 395.2
386(12) 0.00722 349.3 395.6
385(12) 0.00729 349.7 396.0
383(11) 0.00875 350.2 396.4
388(11) 0.00848 350.6 396.9
399(14) 0.00538 351.0 397.4
377(13) 0.00575 351.4 397.9
381(10) 0.00959 351.9 398.5
400(12) 0.00717 352.3 399.2
399(12) 0.00709 352.8 399.9
381(13) 0.00639 353.2 400.7
411(11) 0.00898 353.7 401.6
405(12) 0.00747 354.2 402.5
423(12) 0.00683 354.7 403.5
426(11) 0.00877 355.2 404.6
412(11) 0.00862 355.7 405.7
415(13) 0.00580 356.2 407.0
406(13) 0.00598 356.7 408.3
415(11) 0.00893 357.2 409.6
408(10) 0.01092 357.8 411.1
403(11) 0.00882 358.3 412.6
408(13) 0.00596 358.9 414.1
419(11) 0.00885 359.4 415.7
417(12) 0.00722 360.0 417.4
418(11) 0.00892 360.6 419.1
416(11) 0.00861 361.2 420.9
404(13) 0.00596 361.8 422.7
402(13) 0.00600 362.4 424.6
419(13) 0.00580 363.0 426.5
429(11) 0.00864 363.6 428.4
423(12) 0.00712 364.2 430.4
412(12) 0.00718 364.9 432.3
419(11) 0.00887 365.5 434.3
434(11) 0.00818 366.2 436.4
435(14) 0.00545 366.9 438.4
405(13) 0.00576 367.5 440.4
437(11) 0.00864 368.2 442.5
447(12) 0.00722 368.9 444.6
445(12) 0.00733 369.6 446.7
450(11) 0.00816 370.4 448.7
433(10) 0.00916 371.1 450.8
440(12) 0.00717 371.8 453.0
450(13) 0.00632 372.6 455.1
452(12) 0.00722 373.4 457.2
460(11) 0.00796 374.1 459.4
451(11) 0.00873 374.9 461.6
470(12) 0.00664 375.7 463.8
487(12) 0.00670 376.5 466.1
478(11) 0.00768 377.3 468.4
466(11) 0.00845 378.2 470.8
460(10) 0.00934 379.0 473.3
462(11) 0.00794 379.8 475.8
478(11) 0.00810 380.7 478.4
477(12) 0.00674 381.6 481.2
480(12) 0.00680 382.4 484.0
493(12) 0.00703 383.3 486.9
467(14) 0.00495 384.2 489.9
484(11) 0.00785 385.2 493.1
493(12) 0.00649 386.1 496.4
502(13) 0.00563 387.0 499.8
518(14) 0.00495 388.0 503.4
530(14) 0.00482 388.9 507.1
529(14) 0.00489 389.9 510.9
514(14) 0.00500 390.9 514.9
524(14) 0.00488 391.9 519.0
557(15) 0.00449 392.9 523.2
566(17) 0.003322 394.0 527.6
552(23) 0.001922 395.0 532.1
536(15) 0.00440 396.0 536.7
540(15) 0.00474 397.1 541.4
562(15) 0.00447 398.2 546.3
570(15) 0.00453 399.3 551.2
565(15) 0.00452 400.4 556.2
566(15) 0.00455 401.5 561.3
572(15) 0.00444 402.6 566.5
556(17) 0.003432 403.8 571.7
523(22) 0.002035 404.9 576.9
617(24) 0.001722 406.1 582.2
607(24) 0.001748 407.3 587.4
584(16) 0.00405 408.5 592.7
577(15) 0.00446 409.7 598.0
585(15) 0.00433 410.9 603.2
589(18) 0.003160 412.1 608.4
588(24) 0.001805 413.4 613.6
0.0(10) . . .
_pd_meas_number_of_points        3225
_pd_proc_number_of_points        3225

_reflns_number_total             502
_reflns_limit_h_min              0
_reflns_limit_h_max              21
_reflns_limit_k_min              -9
_reflns_limit_k_max              10
_reflns_limit_l_min              -5
_reflns_limit_l_max              5
_reflns_d_resolution_high        1.233
_reflns_d_resolution_low         13.017
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002993'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_0P5CO2_CO_publ

_pd_block_id                     2014-01-16T15:44|0P5CO2_CO||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-16T15:44
_audit_update_record             
; 2014-01-16T15:44  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.03
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     59
_refine_ls_goodness_of_fit_all   0.95
_refine_ls_number_restraints     3
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.62 H Co O4.25'
_chemical_compound_source        ? # for minerals and
# natural products
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_exptl_crystal_colour            purple

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.8977(9)
_cell_length_b                   25.8977
_cell_length_c                   6.8460(4)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3976.40(28)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
_symmetry_int_tables_number      148
_chemical_absolute_configuration ?
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Co Co1 0.3816(14) 0.3488(14) 0.133(4) 1.0 Uiso 0.004(9) 18
O O1 0.3260(5) 0.2973(6) 0.3720(18) 1.0 Uiso 0.0014(20) 18
O O2 0.3022(6) 0.2275(6) 0.6011(16) 1.0 Uiso 0.0014(20) 18
O O3 0.3562(6) 0.2740(6) 0.0047(21) 1.0 Uiso 0.0014(20) 18
C C1 0.3165(5) 0.2470(6) 0.4275(15) 1.0 Uiso 0.0081(13) 18
C C2 0.3302(5) 0.2082(5) 0.2879(15) 1.0 Uiso 0.0081(13) 18
C C3 0.3473(5) 0.2255(6) 0.0891(15) 1.0 Uiso 0.0081(13) 18
C C4 0.3517(6) 0.1809(6) -0.0279(15) 1.0 Uiso 0.0081(13) 18
H H4A 0.3616(9) 0.1928(8) -0.1740(31) 1.0 Uiso 0.004(5) 18
O O2b 0.2179(19) 0.7570(18) 0.504(5) 0.624(15) Uiso 0.086(15) 18
C C2a 0.1718(12) 0.7182(12) 0.558(4) 0.624(15) Uiso 0.037(8) 18
O O2a 0.1269(10) 0.6848(9) 0.6109(29) 0.624(15) Uiso 0.001(6) 18
_chemical_formula_weight         183.46
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 Co1 2.98(4) . 103_554 N
Co1 Co1 2.98(4) . 202_555 N
Co1 O1 2.145(31) . 1_555 N
Co1 O1 2.007(32) . 103_554 N
Co1 O2 2.035(33) . 202_554 N
Co1 O3 1.920(33) . 1_555 N
Co1 O3 2.131(30) . 202_555 N
Co1 O2a 2.23(4) . 101_544 N
O1 Co1 2.145(31) . 1_555 N
O1 Co1 2.007(32) . 202_555 N
O1 O2 2.234(17) . 1_555 N
O1 C1 1.256(16) . 1_555 N
O2 Co1 2.035(33) . 103_555 N
O2 O1 2.234(17) . 1_555 N
O2 C1 1.272(13) . 1_555 N
O2 C2 2.395(18) . 1_555 N
O3 Co1 1.920(33) . 1_555 N
O3 Co1 2.131(30) . 103_554 N
O3 C3 1.295(18) . 1_555 N
O3 C4 2.365(20) . 1_555 N
C1 O1 1.256(16) . 1_555 N
C1 O2 1.272(13) . 1_555 N
C1 C2 1.552(17) . 1_555 N
C2 O2 2.395(18) . 1_555 N
C2 C1 1.552(17) . 1_555 N
C2 C3 1.431(13) . 1_555 N
C3 O3 1.295(18) . 1_555 N
C3 C2 1.431(13) . 1_555 N
C3 C4 1.456(17) . 1_555 N
C4 O3 2.365(20) . 1_555 N
C4 C3 1.456(17) . 1_555 N
C4 H4A 1.040(26) . 1_555 N
H4A C4 1.040(26) . 1_555 N
O2b C2a 1.17(4) . 1_555 N
O2b O2a 2.28(4) . 1_555 N
C2a O2b 1.17(4) . 1_555 N
C2a O2a 1.107(30) . 1_555 N
O2a Co1 2.23(4) . 201_455 N
O2a O2b 2.28(4) . 1_555 N
O2a C2a 1.107(30) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Co1 Co1 Co1 112.3(13) 103_554 . 202_555 N
Co1 Co1 O1 99.8(14) 103_554 . 1_555 N
Co1 Co1 O1 46.0(8) 103_554 . 103_554 N
Co1 Co1 O2 87.3(8) 103_554 . 202_554 N
Co1 Co1 O3 45.4(11) 103_554 . 1_555 N
Co1 Co1 O3 136.4(18) 103_554 . 202_555 N
Co1 Co1 O2a 137.4(19) 103_554 . 101_544 N
Co1 Co1 O1 42.3(4) 202_555 . 1_555 N
Co1 Co1 O1 70.5(13) 202_555 . 103_554 N
Co1 Co1 O2 130.6(20) 202_555 . 202_554 N
Co1 Co1 O3 124.6(15) 202_555 . 1_555 N
Co1 Co1 O3 40.0(11) 202_555 . 202_555 N
Co1 Co1 O2a 102.8(11) 202_555 . 101_544 N
O1 Co1 O1 81.8(12) 1_555 . 103_554 N
O1 Co1 O2 171.6(17) 1_555 . 202_554 N
O1 Co1 O3 86.4(12) 1_555 . 1_555 N
O1 Co1 O3 77.3(11) 1_555 . 202_555 N
O1 Co1 O2a 90.0(13) 1_555 . 101_544 N
O1 Co1 O2 100.2(15) 103_554 . 202_554 N
O1 Co1 O3 85.6(12) 103_554 . 1_555 N
O1 Co1 O3 91.2(14) 103_554 . 202_555 N
O1 Co1 O2a 171.8(18) 103_554 . 101_544 N
O2 Co1 O3 101.9(14) 202_554 . 1_555 N
O2 Co1 O3 94.4(14) 202_554 . 202_555 N
O2 Co1 O2a 87.7(13) 202_554 . 101_544 N
O3 Co1 O3 163.7(17) 1_555 . 202_555 N
O3 Co1 O2a 94.7(16) 1_555 . 101_544 N
O3 Co1 O2a 86.2(13) 202_555 . 101_544 N
Co1 O1 Co1 91.7(6) 1_555 . 202_555 N
Co1 O1 C1 126.8(15) 1_555 . 1_555 N
Co1 O1 C1 140.3(13) 202_555 . 1_555 N
Co1 O2 C1 116.3(13) 103_555 . 1_555 N
Co1 O3 Co1 94.6(16) 1_555 . 103_554 N
Co1 O3 C3 125.4(14) 1_555 . 1_555 N
Co1 O3 C3 128.3(14) 103_554 . 1_555 N
O1 C1 O2 124.2(13) 1_555 . 1_555 N
O1 C1 C2 119.6(10) 1_555 . 1_555 N
O2 C1 C2 115.7(11) 1_555 . 1_555 N
C1 C2 C3 121.3(11) 1_555 . 1_555 N
O3 C3 C2 127.2(12) 1_555 . 1_555 N
O3 C3 C4 118.5(11) 1_555 . 1_555 N
C2 C3 C4 114.2(11) 1_555 . 1_555 N
C3 C4 H4A 113.5(15) 1_555 . 1_555 N
O2b C2a O2a 174(4) 1_555 . 1_555 N
Co1 O2a C2a 117.8(21) 201_455 . 1_555 N

# Powder diffraction data for histogram  6
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_0P5CO2_CO_publ      
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        533 Ang3  
RESPONSE: This is expected as the material is porous and at this loading of CO2, the channel remains evacuated.
;
_vrf_PLAT341_0P5CO2_CO_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0172 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Co 18.0 0.2490 International_Tables_Vol_C
O 76.475 0.5803 International_Tables_Vol_C
C 83.238 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0278
_pd_proc_ls_prof_wR_factor       0.0345
_pd_proc_ls_prof_wR_expected     0.0367
_refine_ls_R_Fsqd_factor         0.06669

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    712.800     2:   -111.777     3:    158.717     4:    65.5206    
      5:    67.9066     6:    33.4698     7:    31.9640     8:    16.1185    
      9:    13.7339    10:   0.351595    11:    1.13093    12:   -4.07773    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  671.706 #2(GV)   = -233.569 #3(GW)   =  114.886
 #4(GP)   =    0.000 #5(LX)   =    0.351 #6(LY)   =    8.101
 #7(S/L)  =   0.0262 #8(H/L)  =   0.0298
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0001 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00010
_pd_proc_info_datetime           2014-01-16T15:44:08
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5229
_pd_proc_2theta_range_max        166.2729
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
6190(170) 0.0 1295. .
5370(160) 0.0 1290. .
4650(150) 0.0 1285. .
3780(130) 0.0 1281. .
3370(120) 0.0 1276. .
3090(120) 0.0 1272. .
2640(110) 0.0 1267. .
2480(110) 0.0 1263. .
2300(100) 0.0 1258. .
1967(94) 0.0 1254. .
2053(96) 0.0 1250. .
1735(88) 0.0 1246. .
1684(87) 0.0 1241. .
1416(79) 0.0 1237. .
1329(77) 0.0 1233. .
1575(84) 0.0 1229. .
1557(83) 0.0 1225. .
1411(79) 0.0 1221. .
1252(75) 0.0 1217. .
1320(77) 0.0 1213. .
1247(74) 0.0 1209. .
1393(79) 0.0 1205. .
1252(75) 0.0 1202. .
1343(77) 0.0 1198. .
1329(77) 0.0 1194. .
1315(76) 0.0 1191. .
1343(77) 0.0 1187. .
1252(75) 0.0 1183. .
1356(78) 0.0 1180. .
1247(74) 0.0 1176. .
1279(75) 0.0 1173. .
1397(79) 0.0 1169. .
1229(74) 0.0 1166. .
1370(78) 0.0 1163. .
1302(76) 0.0 1159. .
1202(73) 0.0 1156. .
1279(75) 0.0 1153. .
1019(67) 0.0 1149. .
1192(73) 0.0 1146. .
1156(72) 0.0 1143. .
1142(71) 0.0 1140. .
1115(70) 0.0 1137. .
1047(68) 0.0 1134. .
1174(72) 0.0 1131. .
1252(75) 0.0 1128. .
1147(71) 0.0 1125. .
1133(71) 0.0 1122. .
1183(72) 0.0 1119. .
1065(69) 0.0 1116. .
1038(68) 0.0 1113. .
1124(71) 0.0 1110. .
1010(67) 0.0 1108. .
1170(72) 0.0 1105. .
1097(70) 0.0 1102. .
1029(67) 0.0 1100. .
983(66) 0.0 1097. .
1129(71) 0.0 1094. .
1070(69) 0.0 1092. .
1029(67) 0.0 1089. .
1224(74) 0.0 1087. .
1047(68) 0.0 1084. .
1124(71) 0.0 1082. .
1124(71) 0.0 1079. .
1092(70) 0.0 1077. .
1111(70) 0.0 1074. .
1215(73) 0.0 1072. .
1165(72) 0.0 1069. .
1161(72) 0.0 1067. .
1029(67) 0.0 1065. .
1060(68) 0.0 1063. .
1165(72) 0.0 1060. .
1001(66) 0.0 1058. .
1042(68) 0.0 1056. .
1056(68) 0.0 1054. .
1056(68) 0.0 1052. .
1006(67) 0.0 1049. .
1010(67) 0.0 1047. .
978(66) 0.0 1045. .
988(66) 0.0 1043. .
1006(67) 0.0 1041. .
883(62) 0.0 1039. .
928(64) 0.0 1037. .
1088(69) 0.0 1035. .
1088(69) 0.0 1033. .
1006(67) 0.0 1031. .
1106(70) 0.0 1029. .
1083(69) 0.0 1027. .
865(62) 0.0 1026. .
1047(68) 0.0 1024. .
1060(68) 0.0 1022. .
1006(67) 0.0 1020. .
974(66) 0.0 1018. .
937(64) 0.0 1017. .
992(66) 0.0 1015. .
1065(69) 0.0 1013. .
956(65) 0.0 1011. .
869(62) 0.0 1010. .
978(66) 0.0 1008. .
988(66) 0.0 1006. .
974(66) 0.0 1005. .
1135(49) 0.0 1003. .
1096(48) 0.0 1002. .
1107(48) 0.0 1000. .
1104(48) 0.0 998. .
1020(46) 0.0 997. .
1038(46) 0.0 995. .
1049(47) 0.0 994. .
1021(46) 0.0 992. .
1023(46) 0.0 991. .
1100(48) 0.0 990. .
1006(46) 0.0 988. .
1017(46) 0.000473 987. 988.
962(45) 0.000494 985. 987.
931(44) 0.000517 984. 986.
909(43) 0.000541 982. 984.
972(45) 0.000494 981. 983.
976(45) 0.000494 980. 982.
928(44) 0.000517 978. 981.
1046(47) 0.000453 977. 980.
902(43) 0.000541 976. 979.
970(45) 0.000494 975. 978.
937(44) 0.000517 973. 977.
987(45) 0.000494 972. 976.
1008(46) 0.000473 971. 975.
1025(46) 0.000473 970. 974.
976(45) 0.000494 968. 973.
956(44) 0.000517 967. 972.
951(44) 0.000517 966. 971.
981(45) 0.000494 965. 970.
995(45) 0.000494 964. 970.
936(44) 0.000517 962. 969.
958(44) 0.000517 961. 969.
931(44) 0.000517 960. 969.
1057(47) 0.000453 959. 968.
961(45) 0.000494 958. 969.
972(45) 0.000494 957. 969.
1095(48) 0.000434 956. 970.
1038(46) 0.000473 955. 972.
1056(47) 0.000453 954. 977.
1109(48) 0.000434 953. 990.
1166(49) 0.000416 952. 1023.
1229(51) 0.000384 951. 1093.
1297(52) 0.000370 950. 1223.
1537(57) 0.0003078 949. 1433.
1666(59) 0.0002873 948. 1735.
2064(66) 0.0002296 947. 2141.
2490(73) 0.0001877 946. 2672.
3281(84) 0.0001417 945. 3377.
4170(95) 0.0001108 944. 4351.
5810(110) 0.0000797 943. 5723.
7800(130) 0.0000592 942. 7550.
10010(150) 0.0000463 941. 9599.
11200(160) 0.0000411 940. 11194.
11410(160) 0.0000406 939. 11454.
9870(150) 0.0000469 939. 9979.
7440(130) 0.0000620 938. 7332.
4620(100) 0.0001000 937. 4631.
2783(77) 0.0001687 936. 2681.
1646(59) 0.0002873 935. 1622.
1194(50) 0.000400 934. 1175.
1018(46) 0.000473 933. 1024.
829(41) 0.000595 933. 979.
840(41) 0.000595 932. 965.
915(43) 0.000541 931. 957.
970(45) 0.000494 930. 952.
873(42) 0.000567 930. 948.
915(43) 0.000541 929. 945.
845(42) 0.000567 928. 942.
907(43) 0.000541 927. 940.
961(45) 0.000494 927. 938.
860(42) 0.000567 926. 936.
925(44) 0.000517 925. 934.
949(44) 0.000517 924. 932.
872(42) 0.000567 924. 931.
892(43) 0.000541 923. 930.
925(44) 0.000517 922. 928.
929(44) 0.000517 922. 927.
920(44) 0.000517 921. 926.
962(45) 0.000494 920. 925.
915(43) 0.000541 920. 924.
931(44) 0.000517 919. 923.
933(44) 0.000517 918. 922.
903(43) 0.000541 918. 921.
929(44) 0.000517 917. 920.
929(44) 0.000517 916. 920.
927(44) 0.000517 916. 919.
945(44) 0.000517 915. 918.
899(43) 0.000541 914. 917.
908(43) 0.000541 914. 916.
945(44) 0.000517 913. 916.
991(45) 0.000494 913. 915.
954(44) 0.000517 912. 914.
947(44) 0.000517 911. 914.
860(42) 0.000567 911. 913.
878(42) 0.000567 910. 912.
985(45) 0.000494 910. 912.
801(55) 0.0003306 909. 911.
931(60) 0.0002778 909. 910.
892(59) 0.0002873 908. 910.
1002(62) 0.0002601 908. 909.
960(44) 0.000517 907. 909.
961(44) 0.000517 906. 908.
978(45) 0.000494 906. 907.
957(44) 0.000517 905. 907.
968(44) 0.000517 905. 906.
919(43) 0.000541 904. 906.
909(43) 0.000541 904. 905.
872(42) 0.000567 903. 905.
886(42) 0.000567 903. 904.
913(43) 0.000541 902. 904.
902(43) 0.000541 902. 903.
868(42) 0.000567 901. 902.
844(41) 0.000595 901. 902.
885(42) 0.000567 900. 901.
935(43) 0.000541 900. 901.
872(42) 0.000567 899. 900.
907(43) 0.000541 899. 900.
899(43) 0.000541 899. 899.
908(43) 0.000541 898. 899.
912(43) 0.000541 898. 899.
895(42) 0.000567 897. 898.
889(42) 0.000567 897. 898.
914(43) 0.000541 896. 897.
873(42) 0.000567 896. 897.
931(43) 0.000541 895. 896.
978(44) 0.000517 895. 896.
851(41) 0.000595 895. 895.
895(42) 0.000567 894. 895.
918(43) 0.000541 894. 895.
982(45) 0.000494 893. 894.
878(42) 0.000567 893. 894.
898(43) 0.000541 892. 893.
954(44) 0.000517 892. 893.
868(42) 0.000567 892. 892.
891(42) 0.000567 891. 892.
884(42) 0.000567 891. 892.
901(43) 0.000541 890. 891.
910(43) 0.000541 890. 891.
875(42) 0.000567 890. 890.
952(44) 0.000517 889. 890.
904(43) 0.000541 889. 890.
909(43) 0.000541 889. 889.
897(42) 0.000567 888. 889.
851(41) 0.000595 888. 888.
905(43) 0.000541 887. 888.
900(43) 0.000541 887. 888.
852(41) 0.000595 887. 887.
885(42) 0.000567 886. 887.
918(43) 0.000541 886. 887.
904(43) 0.000541 886. 886.
934(43) 0.000541 885. 886.
909(43) 0.000541 885. 886.
937(44) 0.000517 885. 885.
914(43) 0.000541 884. 885.
877(42) 0.000567 884. 885.
912(43) 0.000541 883. 884.
926(43) 0.000541 883. 884.
909(43) 0.000541 883. 883.
832(41) 0.000595 882. 883.
908(43) 0.000541 882. 883.
909(43) 0.000541 882. 883.
831(41) 0.000595 881. 882.
808(40) 0.000625 881. 882.
850(41) 0.000595 881. 882.
813(40) 0.000625 880. 881.
844(41) 0.000595 880. 881.
885(42) 0.000567 880. 881.
842(41) 0.000595 879. 881.
817(40) 0.000625 879. 880.
845(41) 0.000595 879. 880.
816(40) 0.000625 878. 880.
971(44) 0.000517 878. 880.
895(42) 0.000567 878. 879.
935(43) 0.000541 878. 879.
870(42) 0.000567 877. 879.
907(43) 0.000541 877. 879.
838(41) 0.000595 877. 879.
862(42) 0.000567 876. 879.
913(43) 0.000541 876. 880.
887(42) 0.000567 876. 882.
911(43) 0.000541 875. 886.
877(42) 0.000567 875. 898.
959(44) 0.000517 875. 923.
980(45) 0.000494 874. 974.
1114(48) 0.000434 874. 1062.
1165(49) 0.000416 874. 1199.
1439(55) 0.0003306 873. 1384.
1587(58) 0.0002973 873. 1576.
1749(61) 0.0002687 873. 1697.
1650(59) 0.0002873 873. 1674.
1505(56) 0.0003189 872. 1507.
1316(52) 0.000370 872. 1279.
1016(45) 0.000494 872. 1083.
930(43) 0.000541 871. 962.
894(42) 0.000567 871. 905.
829(41) 0.000595 871. 884.
969(64) 0.0002441 871. 877.
872(41) 0.000595 870. 875.
935(43) 0.000541 870. 874.
912(42) 0.000567 870. 873.
787(39) 0.000657 869. 872.
858(41) 0.000595 869. 871.
832(40) 0.000625 869. 871.
830(40) 0.000625 869. 871.
901(42) 0.000567 868. 870.
861(41) 0.000595 868. 870.
936(43) 0.000541 868. 869.
853(40) 0.000625 867. 869.
905(42) 0.000567 867. 869.
918(42) 0.000567 867. 868.
906(42) 0.000567 867. 868.
911(42) 0.000567 866. 868.
874(41) 0.000595 866. 867.
931(42) 0.000567 866. 867.
854(40) 0.000625 865. 867.
884(41) 0.000595 865. 867.
846(40) 0.000625 865. 866.
793(39) 0.000657 865. 866.
882(41) 0.000595 864. 866.
870(41) 0.000595 864. 866.
881(41) 0.000595 864. 866.
869(41) 0.000595 863. 866.
909(42) 0.000567 863. 866.
796(39) 0.000657 863. 866.
871(41) 0.000595 863. 866.
869(41) 0.000595 862. 867.
896(42) 0.000567 862. 869.
937(43) 0.000541 862. 875.
886(41) 0.000595 862. 889.
861(41) 0.000595 861. 919.
908(42) 0.000567 861. 974.
1048(45) 0.000494 861. 1065.
1087(46) 0.000473 860. 1188.
1310(51) 0.000384 860. 1321.
1433(53) 0.000356 860. 1428.
1351(52) 0.000370 860. 1482.
1448(54) 0.0003429 859. 1498.
1450(54) 0.0003429 859. 1498.
1454(54) 0.0003429 859. 1475.
1317(51) 0.000384 859. 1397.
1223(49) 0.000416 858. 1259.
1079(46) 0.000473 858. 1105.
970(43) 0.000541 858. 983.
923(42) 0.000567 857. 911.
872(41) 0.000595 857. 879.
909(42) 0.000567 857. 866.
887(41) 0.000595 857. 862.
887(41) 0.000595 856. 861.
817(39) 0.000657 856. 860.
903(42) 0.000567 856. 859.
792(39) 0.000657 856. 858.
860(41) 0.000595 855. 858.
868(41) 0.000595 855. 857.
843(40) 0.000625 855. 857.
800(39) 0.000657 854. 856.
827(40) 0.000625 854. 856.
861(41) 0.000595 854. 856.
892(41) 0.000595 854. 855.
858(41) 0.000595 853. 855.
833(40) 0.000625 853. 855.
865(41) 0.000595 853. 855.
855(40) 0.000625 853. 854.
836(40) 0.000625 852. 854.
843(40) 0.000625 852. 854.
863(41) 0.000595 852. 854.
776(38) 0.000693 851. 854.
868(41) 0.000595 851. 854.
856(41) 0.000595 851. 854.
876(41) 0.000595 851. 855.
883(41) 0.000595 850. 855.
890(41) 0.000595 850. 857.
874(41) 0.000595 850. 862.
930(42) 0.000567 850. 875.
1018(44) 0.000517 849. 907.
988(44) 0.000517 849. 976.
1218(49) 0.000416 849. 1102.
1339(51) 0.000384 848. 1293.
1671(58) 0.0002973 848. 1513.
1849(61) 0.0002687 848. 1682.
1818(60) 0.0002778 848. 1707.
1570(56) 0.0003189 847. 1564.
1358(52) 0.000370 847. 1329.
1033(45) 0.000494 847. 1110.
942(43) 0.000541 846. 965.
923(42) 0.000567 846. 892.
836(40) 0.000625 846. 864.
836(40) 0.000625 846. 854.
897(42) 0.000567 845. 851.
891(41) 0.000595 845. 850.
798(39) 0.000657 845. 848.
812(39) 0.000657 845. 848.
809(39) 0.000657 844. 847.
814(39) 0.000657 844. 846.
837(40) 0.000625 844. 846.
890(41) 0.000595 843. 845.
943(43) 0.000541 843. 845.
895(40) 0.000625 843. 844.
901(40) 0.000625 843. 844.
880(39) 0.000657 842. 844.
860(39) 0.000657 842. 843.
881(39) 0.000657 842. 843.
782(37) 0.000730 842. 843.
841(38) 0.000693 841. 842.
858(39) 0.000657 841. 842.
830(38) 0.000693 841. 842.
862(39) 0.000657 840. 841.
876(39) 0.000657 840. 841.
824(38) 0.000693 840. 841.
843(38) 0.000693 840. 840.
823(38) 0.000693 839. 840.
818(38) 0.000693 839. 840.
827(38) 0.000693 839. 840.
832(38) 0.000693 838. 841.
871(39) 0.000657 838. 842.
819(38) 0.000693 838. 847.
868(39) 0.000657 838. 856.
865(39) 0.000657 837. 872.
846(38) 0.000693 837. 892.
913(40) 0.000625 837. 910.
896(40) 0.000625 836. 918.
920(40) 0.000625 836. 909.
883(39) 0.000657 836. 889.
897(40) 0.000625 836. 867.
854(39) 0.000657 835. 850.
857(39) 0.000657 835. 842.
850(39) 0.000657 835. 838.
843(38) 0.000693 835. 836.
821(38) 0.000693 834. 835.
835(38) 0.000693 834. 835.
846(38) 0.000693 834. 835.
885(39) 0.000657 833. 834.
863(39) 0.000657 833. 834.
881(39) 0.000657 833. 834.
821(38) 0.000693 833. 833.
854(39) 0.000657 832. 833.
769(36) 0.000772 832. 833.
778(37) 0.000730 832. 833.
785(37) 0.000730 831. 833.
905(40) 0.000625 831. 832.
825(38) 0.000693 831. 832.
825(38) 0.000693 831. 832.
834(38) 0.000693 830. 832.
879(39) 0.000657 830. 832.
859(39) 0.000657 830. 831.
822(38) 0.000693 829. 831.
807(37) 0.000730 829. 831.
798(37) 0.000730 829. 831.
812(38) 0.000693 829. 831.
845(38) 0.000693 828. 832.
846(38) 0.000693 828. 832.
795(37) 0.000730 828. 833.
820(38) 0.000693 827. 834.
812(38) 0.000693 827. 838.
865(39) 0.000657 827. 850.
840(38) 0.000693 827. 881.
914(40) 0.000625 826. 950.
1063(43) 0.000541 826. 1075.
1151(45) 0.000494 826. 1253.
1333(49) 0.000416 825. 1441.
1412(50) 0.000400 825. 1555.
1393(50) 0.000400 825. 1527.
1227(47) 0.000453 825. 1369.
1151(45) 0.000494 824. 1166.
1063(43) 0.000541 824. 1000.
927(40) 0.000625 824. 900.
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542(21) 0.002268 523.4 577.1
589(22) 0.002066 523.4 576.2
616(22) 0.002066 523.4 575.3
584(22) 0.002066 523.4 574.6
580(22) 0.002066 523.3 574.0
587(22) 0.002066 523.3 573.5
553(21) 0.002268 523.3 573.1
576(22) 0.002066 523.3 572.9
587(22) 0.002066 523.3 572.7
584(22) 0.002066 523.3 572.7
572(22) 0.002066 523.3 572.7
569(21) 0.002268 523.3 572.8
583(22) 0.002066 523.3 573.0
559(21) 0.002268 523.3 573.3
549(21) 0.002268 523.4 573.6
556(21) 0.002268 523.4 574.0
563(21) 0.002268 523.4 574.5
582(22) 0.002066 523.4 574.9
586(22) 0.002066 523.4 575.5
559(21) 0.002268 523.4 576.0
569(21) 0.002268 523.4 576.6
602(22) 0.002066 523.4 577.1
586(22) 0.002066 523.4 577.7
572(22) 0.002066 523.4 578.2
603(22) 0.002066 523.5 578.8
575(22) 0.002066 523.5 579.3
576(22) 0.002066 523.5 579.8
582(22) 0.002066 523.5 580.3
573(22) 0.002066 523.5 580.8
564(21) 0.002268 523.6 581.2
573(22) 0.002066 523.6 581.5
628(23) 0.001890 523.6 581.9
599(22) 0.002066 523.6 582.2
592(22) 0.002066 523.7 582.4
601(22) 0.002066 523.7 582.7
591(22) 0.002066 523.7 582.8
591(22) 0.002066 523.7 583.0
596(22) 0.002066 523.8 583.1
593(22) 0.002066 523.8 583.2
581(22) 0.002066 523.8 583.2
576(22) 0.002066 523.9 583.2
597(22) 0.002066 523.9 583.2
572(22) 0.002066 524.0 583.2
601(22) 0.002066 524.0 583.2
596(22) 0.002066 524.0 583.1
611(22) 0.002066 524.1 583.1
601(22) 0.002066 524.1 583.0
597(22) 0.002066 524.2 583.0
620(22) 0.002066 524.2 582.9
582(22) 0.002066 524.3 582.9
587(22) 0.002066 524.3 582.9
598(22) 0.002066 524.4 583.0
574(22) 0.002066 524.5 583.1
580(22) 0.002066 524.5 583.3
581(22) 0.002066 524.6 583.5
580(22) 0.002066 524.6 583.9
569(21) 0.002268 524.7 584.3
566(21) 0.002268 524.8 584.8
605(22) 0.002066 524.8 585.5
597(22) 0.002066 524.9 586.2
607(22) 0.002066 525.0 587.1
603(22) 0.002066 525.1 588.2
617(22) 0.002066 525.1 589.4
601(22) 0.002066 525.2 590.7
580(22) 0.002066 525.3 592.2
579(22) 0.002066 525.4 593.9
574(22) 0.002066 525.5 595.7
604(22) 0.002066 525.5 597.7
605(22) 0.002066 525.6 599.8
593(22) 0.002066 525.7 602.0
614(22) 0.002066 525.8 604.4
625(23) 0.001890 525.9 607.0
615(22) 0.002066 526.0 609.6
592(22) 0.002066 526.1 612.4
574(22) 0.002066 526.2 615.3
607(22) 0.002066 526.3 618.2
630(23) 0.001890 526.4 621.2
641(23) 0.001890 526.5 624.3
638(23) 0.001890 526.6 627.4
621(22) 0.002066 526.8 630.5
631(23) 0.001890 526.9 633.6
651(23) 0.001890 527.0 636.6
619(22) 0.002066 527.1 639.6
627(23) 0.001890 527.2 642.6
648(23) 0.001890 527.4 645.4
627(23) 0.001890 527.5 648.1
637(23) 0.001890 527.6 650.7
669(23) 0.001890 527.8 653.1
661(23) 0.001890 527.9 655.4
646(23) 0.001890 528.0 657.5
635(23) 0.001890 528.2 659.4
654(23) 0.001890 528.3 661.1
618(22) 0.002066 528.5 662.5
675(23) 0.001890 528.6 663.8
663(23) 0.001890 528.8 664.8
658(23) 0.001890 528.9 665.6
660(23) 0.001890 529.1 666.2
647(23) 0.001890 529.3 666.6
683(24) 0.001736 529.4 666.7
648(23) 0.001890 529.6 666.6
612(22) 0.002066 529.8 666.3
610(22) 0.002066 530.0 665.8
627(23) 0.001890 530.1 665.0
631(23) 0.001890 530.3 664.1
615(22) 0.002066 530.5 663.0
628(23) 0.001890 530.7 661.7
653(23) 0.001890 530.9 660.3
667(23) 0.001890 531.1 658.7
667(23) 0.001890 531.3 657.0
653(23) 0.001890 531.5 655.1
662(23) 0.001890 531.7 653.2
655(23) 0.001890 531.9 651.2
626(23) 0.001890 532.1 649.1
609(22) 0.002066 532.3 647.0
620(22) 0.002066 532.5 644.8
625(23) 0.001890 532.8 642.7
616(22) 0.002066 533.0 640.5
622(23) 0.001890 533.2 638.3
615(22) 0.002066 533.5 636.2
627(23) 0.001890 533.7 634.2
629(23) 0.001890 533.9 632.2
617(22) 0.002066 534.2 630.3
616(22) 0.002066 534.4 628.5
631(23) 0.001890 534.7 626.7
614(22) 0.002066 534.9 625.1
636(23) 0.001890 535.2 623.6
628(23) 0.001890 535.5 622.3
629(23) 0.001890 535.7 621.1
614(22) 0.002066 536.0 620.0
619(22) 0.002066 536.3 619.1
615(22) 0.002066 536.6 618.3
622(23) 0.001890 536.9 617.7
631(23) 0.001890 537.1 617.3
606(22) 0.002066 537.4 617.0
629(23) 0.001890 537.7 616.9
612(22) 0.002066 538.0 616.9
649(23) 0.001890 538.3 617.1
663(23) 0.001890 538.7 617.5
644(23) 0.001890 539.0 618.0
620(22) 0.002066 539.3 618.6
585(22) 0.002066 539.6 619.4
577(22) 0.002066 539.9 620.4
612(22) 0.002066 540.3 621.4
608(22) 0.002066 540.6 622.7
613(22) 0.002066 541.0 624.0
653(23) 0.001890 541.3 625.4
649(23) 0.001890 541.6 627.0
614(22) 0.002066 542.0 628.6
616(22) 0.002066 542.4 630.3
630(23) 0.001890 542.7 632.2
638(23) 0.001890 543.1 634.0
614(22) 0.002066 543.5 636.0
636(23) 0.001890 543.9 638.0
639(23) 0.001890 544.2 640.0
633(23) 0.001890 544.6 642.0
637(23) 0.001890 545.0 644.1
651(23) 0.001890 545.4 646.2
646(23) 0.001890 545.8 648.3
658(23) 0.001890 546.2 650.4
671(19) 0.002770 546.7 652.4
681(23) 0.001890 547.1 654.4
674(23) 0.001890 547.5 656.4
677(23) 0.001890 547.9 658.4
662(23) 0.001890 548.4 660.3
670(23) 0.001890 548.8 662.2
700(24) 0.001736 549.3 664.1
693(24) 0.001736 549.7 665.9
691(24) 0.001736 550.2 667.6
676(23) 0.001890 550.7 669.3
692(24) 0.001736 551.1 671.0
714(24) 0.001736 551.6 672.6
693(24) 0.001736 552.1 674.2
720(24) 0.001736 552.6 675.8
729(24) 0.001736 553.1 677.4
700(24) 0.001736 553.6 678.9
693(24) 0.001736 554.1 680.4
709(24) 0.001736 554.6 681.9
718(24) 0.001736 555.1 683.4
707(24) 0.001736 555.6 684.9
695(24) 0.001736 556.1 686.3
677(23) 0.001890 556.7 687.8
673(23) 0.001890 557.2 689.3
684(24) 0.001736 557.8 690.8
710(24) 0.001736 558.3 692.4
713(24) 0.001736 558.9 693.9
695(24) 0.001736 559.5 695.4
712(24) 0.001736 560.0 697.0
721(24) 0.001736 560.6 698.6
707(24) 0.001736 561.2 700.2
706(24) 0.001736 561.8 701.8
700(24) 0.001736 562.4 703.4
691(24) 0.001736 563.0 705.1
700(24) 0.001736 563.6 706.7
714(24) 0.001736 564.2 708.4
717(24) 0.001736 564.8 710.0
741(24) 0.001736 565.5 711.7
758(25) 0.001600 566.1 713.4
696(24) 0.001736 566.8 715.0
685(24) 0.001736 567.4 716.7
714(24) 0.001736 568.1 718.3
723(24) 0.001736 568.7 720.0
702(24) 0.001736 569.4 721.6
702(24) 0.001736 570.1 723.2
722(24) 0.001736 570.8 724.8
753(25) 0.001600 571.5 726.4
759(25) 0.001600 572.2 728.0
706(24) 0.001736 572.9 729.5
707(24) 0.001736 573.6 731.0
748(25) 0.001600 574.3 732.4
754(25) 0.001600 575.1 733.8
745(25) 0.001600 575.8 735.2
729(24) 0.001736 576.6 736.6
711(24) 0.001736 577.3 737.8
733(24) 0.001736 578.1 739.1
757(25) 0.001600 578.9 740.3
741(24) 0.001736 579.6 741.4
723(24) 0.001736 580.4 742.5
731(24) 0.001736 581.2 743.5
747(25) 0.001600 582.0 744.5
746(25) 0.001600 582.8 745.4
751(25) 0.001600 583.6 746.2
768(25) 0.001600 584.5 747.0
739(24) 0.001736 585.3 747.7
719(24) 0.001736 586.2 748.3
725(24) 0.001736 587.0 748.9
738(24) 0.001736 587.9 749.4
751(25) 0.001600 588.7 749.8
770(25) 0.001600 589.6 750.1
761(25) 0.001600 590.5 750.4
739(24) 0.001736 591.4 750.6
730(24) 0.001736 592.3 750.8
729(24) 0.001736 593.2 750.9
734(24) 0.001736 594.1 751.0
739(24) 0.001736 595.0 751.0
754(25) 0.001600 596.0 750.9
740(24) 0.001736 596.9 750.8
690(24) 0.001736 597.9 750.7
717(24) 0.001736 598.8 750.6
747(25) 0.001600 599.8 750.4
715(24) 0.001736 600.8 750.2
714(24) 0.001736 601.8 750.0
753(25) 0.001600 602.8 749.7
743(24) 0.001736 603.8 749.5
746(25) 0.001600 604.8 749.2
758(25) 0.001600 605.8 749.0
754(25) 0.001600 606.9 748.8
761(25) 0.001600 607.9 748.5
736(24) 0.001736 609.0 748.3
726(24) 0.001736 610.0 748.1
745(25) 0.001600 611.1 747.9
725(24) 0.001736 612.2 747.7
716(24) 0.001736 613.3 747.6
737(24) 0.001736 614.4 747.5
742(24) 0.001736 615.5 747.4
729(24) 0.001736 616.6 747.3
733(24) 0.001736 617.7 747.2
753(25) 0.001600 618.9 747.2
740(24) 0.001736 620.0 747.2
732(24) 0.001736 621.2 747.3
780(25) 0.001600 622.3 747.3
740(25) 0.001600 623.5 747.4
728(25) 0.001600 624.7 747.6
777(25) 0.001600 625.9 747.8
755(25) 0.001600 627.1 748.0
747(25) 0.001600 628.4 748.2
737(25) 0.001600 629.6 748.5
788(26) 0.001479 630.8 748.8
783(25) 0.001600 632.1 749.1
748(25) 0.001600 633.3 749.5
752(25) 0.001600 634.6 749.9
736(25) 0.001600 635.9 750.3
735(25) 0.001600 637.2 750.8
750(25) 0.001600 638.5 751.3
778(25) 0.001600 639.8 751.9
737(25) 0.001600 641.1 752.4
748(25) 0.001600 642.5 753.0
772(25) 0.001600 643.8 753.7
737(25) 0.001600 645.2 754.3
731(25) 0.001600 646.6 755.0
727(25) 0.001600 647.9 755.7
764(25) 0.001600 649.3 756.5
776(25) 0.001600 650.7 757.2
760(25) 0.001600 652.2 758.0
765(25) 0.001600 653.6 758.8
781(25) 0.001600 655.0 759.6
778(25) 0.001600 656.5 760.4
796(26) 0.001479 657.9 761.3
754(25) 0.001600 659.4 762.1
749(25) 0.001600 660.9 763.0
754(25) 0.001600 662.4 763.9
746(25) 0.001600 663.9 764.7
736(25) 0.001600 665.4 765.6
775(25) 0.001600 666.9 766.5
784(25) 0.001600 668.5 767.4
758(25) 0.001600 670.0 768.3
752(25) 0.001600 671.6 769.2
750(25) 0.001600 673.2 770.2
762(25) 0.001600 674.8 771.1
738(25) 0.001600 676.4 772.0
742(25) 0.001600 678.0 772.9
738(25) 0.001600 679.6 773.8
756(25) 0.001600 681.3 774.7
779(25) 0.001600 682.9 775.6
774(25) 0.001600 684.6 776.5
784(25) 0.001600 686.3 777.4
771(25) 0.001600 688.0 778.3
762(25) 0.001600 689.7 779.2
770(25) 0.001600 691.4 780.1
766(25) 0.001600 693.1 781.1
801(26) 0.001479 694.8 782.0
788(26) 0.001479 696.6 782.9
749(25) 0.001600 698.4 783.8
783(25) 0.001600 700.1 784.8
776(25) 0.001600 701.9 785.7
734(25) 0.001600 703.7 786.7
770(25) 0.001600 705.6 787.6
764(25) 0.001600 707.4 788.6
763(25) 0.001600 709.2 789.6
755(25) 0.001600 711.1 790.7
787(26) 0.001479 713.0 791.7
814(26) 0.001479 714.8 792.8
826(26) 0.001479 716.7 793.9
835(26) 0.001479 718.7 795.0
789(26) 0.001479 720.6 796.1
797(26) 0.001479 722.5 797.3
803(26) 0.001479 724.5 798.5
781(25) 0.001600 726.4 799.8
783(25) 0.001600 728.4 801.0
840(26) 0.001479 730.4 802.4
846(26) 0.001479 732.4 803.7
837(26) 0.001479 734.4 805.1
814(26) 0.001479 736.5 806.5
800(26) 0.001479 738.5 808.0
836(26) 0.001479 740.6 809.5
809(26) 0.001479 742.7 811.0
810(26) 0.001479 744.7 812.6
833(26) 0.001479 746.8 814.2
856(27) 0.001372 749.0 815.9
820(26) 0.001479 751.1 817.6
851(26) 0.001479 753.2 819.4
846(26) 0.001479 755.4 821.1
843(26) 0.001479 757.6 823.0
828(26) 0.001479 759.8 824.8
817(26) 0.001479 762.0 826.8
834(26) 0.001479 764.2 828.7
828(26) 0.001479 766.4 830.7
822(26) 0.001479 768.7 832.7
826(26) 0.001479 770.9 834.8
858(27) 0.001372 773.2 836.9
846(26) 0.001479 775.5 839.1
870(27) 0.001372 777.8 841.2
912(27) 0.001372 780.1 843.5
888(27) 0.001372 782.5 845.7
877(27) 0.001372 784.8 848.0
878(27) 0.001372 787.2 850.3
860(27) 0.001372 789.6 852.7
891(27) 0.001372 792.0 855.1
902(27) 0.001372 794.4 857.5
855(27) 0.001372 796.8 860.0
832(38) 0.000693 799. 862.
877(39) 0.000657 802. 865.
893(39) 0.000657 804. 867.
895(39) 0.000657 807. 870.
887(39) 0.000657 809. 873.
908(39) 0.000657 812. 875.
931(40) 0.000625 814. 878.
922(40) 0.000625 817. 880.
868(38) 0.000693 819. 883.
904(39) 0.000657 822. 886.
859(38) 0.000693 825. 889.
933(40) 0.000625 827. 891.
951(40) 0.000625 830. 894.
929(40) 0.000625 832. 897.
902(39) 0.000657 835. 899.
847(38) 0.000693 838. 902.
905(39) 0.000657 840. 905.
966(40) 0.000625 843. 908.
933(40) 0.000625 846. 911.
938(40) 0.000625 849. 913.
922(40) 0.000625 851. 916.
934(40) 0.000625 854. 919.
935(40) 0.000625 857. 922.
906(39) 0.000657 860. 925.
949(40) 0.000625 863. 928.
941(40) 0.000625 865. 931.
927(40) 0.000625 868. 934.
1007(41) 0.000595 871. 936.
898(39) 0.000657 874. 939.
981(41) 0.000595 877. 942.
965(40) 0.000625 880. 945.
963(40) 0.000625 883. 948.
946(40) 0.000625 886. 951.
927(40) 0.000625 889. 954.
926(40) 0.000625 892. 957.
991(41) 0.000595 895. 960.
1038(42) 0.000567 898. 963.
944(40) 0.000625 901. 966.
958(40) 0.000625 904. 969.
978(41) 0.000595 907. 972.
927(40) 0.000625 910. 975.
972(41) 0.000595 913. 978.
915(39) 0.000657 916. 981.
951(40) 0.000625 919. 984.
946(40) 0.000625 923. 987.
1029(42) 0.000567 926. 991.
1004(41) 0.000595 929. 994.
993(41) 0.000595 932. 997.
963(40) 0.000625 935. 1000.
1061(42) 0.000567 939. 1003.
947(40) 0.000625 942. 1007.
1000(41) 0.000595 945. 1010.
971(41) 0.000595 948. 1013.
987(41) 0.000595 952. 1017.
1023(42) 0.000567 955. 1020.
981(41) 0.000595 958. 1024.
1015(41) 0.000595 962. 1027.
1023(42) 0.000567 965. 1030.
1062(42) 0.000567 969. 1034.
992(41) 0.000595 972. 1037.
1049(42) 0.000567 975. 1041.
1034(42) 0.000567 979. 1045.
1058(42) 0.000567 982. 1048.
997(41) 0.000595 986. 1052.
954(40) . . .
1007(41) . . .
996(41) . . .
1066(42) . . .
996(41) . . .
1026(42) . . .
1032(42) . . .
1003(41) . . .
984(41) . . .
1009(41) . . .
1064(42) . . .
1041(42) . . .
1043(42) . . .
1055(42) . . .
1074(42) . . .
1050(42) . . .
1087(43) . . .
1110(43) . . .
1112(43) . . .
1110(43) . . .
1061(42) . . .
1089(43) . . .
1058(42) . . .
1084(43) . . .
1123(43) . . .
1085(43) . . .
1115(43) . . .
1103(43) . . .
1056(42) . . .
1076(43) . . .
1067(42) . . .
1109(43) . . .
1129(43) . . .
1046(42) . . .
1032(42) . . .
1073(42) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             805
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.052
_reflns_d_resolution_low         12.949

#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#


_database_code_depnum_ccdc_archive 'CCDC 1002994'
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#  This CIF contains data from an original supplementary publication
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#  as required by the journal to which it was submitted.
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data_OD5FINAL_publ

_pd_block_id                     2014-05-06T14:34|OD5FINAL|jason|bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-05-06T14:34
_audit_update_record             
; 2014-05-06T14:34  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     53
_refine_ls_goodness_of_fit_all   1.13
_refine_ls_number_restraints     7
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    ?

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from C:/Users/George/Documents/Research/Structure Refinement/6412'
_cell_length_a                   25.8582(7)
_cell_length_b                   25.8582
_cell_length_c                   6.26149(20)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3625.81(16)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -y,x-y,+z
3 y-x,-x,+z
-1 -x,-y,-z
-2 +y,y-x,-z
-3 x-y,+x,-z
101 +x+1/3,+y+2/3,+z+2/3
102 -y+1/3,x-y+2/3,+z+2/3
103 y-x+1/3,-x+2/3,+z+2/3
-101 -x+2/3,-y+1/3,-z+1/3
-102 +y+2/3,y-x+1/3,-z+1/3
-103 x-y+2/3,+x+1/3,-z+1/3
201 +x+2/3,+y+1/3,+z+1/3
202 -y+2/3,x-y+1/3,+z+1/3
203 y-x+2/3,-x+1/3,+z+1/3
-201 -x+1/3,-y+2/3,-z+2/3
-202 +y+1/3,y-x+2/3,-z+2/3
-203 x-y+1/3,+x+2/3,-z+2/3

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Cu Cu 0.38651(19) 0.34907(21) 0.1761(8) 1.0 Uiso 0.0016(13) 18
O O1 0.35441(32) 0.30306(29) 0.4335(10) 1.0 Uiso 0.0064(12) 18
O O2 0.29217(34) 0.22400(30) 0.6287(11) 1.0 Uiso 0.0064(12) 18
O O3 0.36050(32) 0.27702(28) 0.0078(10) 1.0 Uiso 0.006(1) 18
C C1 0.32463(27) 0.24784(25) 0.4657(11) 1.0 Uiso 0.0098(6) 18
C C2 0.32769(28) 0.20621(27) 0.2990(11) 1.0 Uiso 0.0098(6) 18
C C3 0.34813(30) 0.22473(27) 0.0928(11) 1.0 Uiso 0.0098(6) 18
C C4 0.35412(26) 0.18405(30) -0.0431(10) 1.0 Uiso 0.0098(6) 18
H H 0.3672(5) 0.1955(5) -0.1984(15) 1.0 Uiso 0.011(3) 18
O O1a 0.2511(17) 0.7871(14) 0.468(8) 0.172(6) Uiso 0.02(1) 18
C C1a 0.2103(16) 0.7470(20) 0.550(8) 0.172(6) Uiso 0.08(3) 18
O O1b 0.1698(16) 0.7073(15) 0.633(7) 0.172(6) Uiso 0.008(1) 18
O O2a 0.1488(30) 0.0448(33) 0.301(10) 0.142(5) Uiso 0.10(4) 18
C C2a 0.1526(17) 0.0197(29) 0.449(8) 0.142(5) Uiso 0.05901 18
O O2b 0.1558(21) -0.0052(25) 0.598(8) 0.142(5) Uiso 0.02(2) 18
O O3a 0.0 0.0 0.3143(18) 0.152(8) Uiso 0.06(3) 6
C C3a 0.0 0.0 0.5 0.152(8) Uiso 0.3(1) 3

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.34 H Cu O3.68'
_chemical_formula_weight         175.53
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu Cu 2.974(6) . 103_554 N
Cu Cu 2.974(6) . 202_555 N
Cu O1 1.927(7) . 1_555 N
Cu O1 2.422(8) . 103_554 N
Cu O1 2.883(7) . 202_554 N
Cu O2 1.943(8) . 202_554 N
Cu O3 1.945(7) . 1_555 N
Cu O3 2.000(8) . 202_555 N
Cu C1 2.917(8) . 1_555 N
Cu C1 2.729(8) . 202_554 N
Cu C3 2.899(8) . 1_555 N
Cu C3 2.875(8) . 202_555 N
Cu O1b 2.86(4) . 101_544 N
O1 Cu 1.927(7) . 1_555 N
O1 Cu 2.883(7) . 103_555 N
O1 Cu 2.422(8) . 202_555 N
O1 O2 2.230(9) . 1_555 N
O1 O3 2.773(10) . 1_555 N
O1 O3 2.671(9) . 202_555 N
O1 C1 1.254(8) . 1_555 N
O1 C2 2.393(8) . 1_555 N
O2 Cu 1.943(8) . 103_555 N
O2 O1 2.230(9) . 1_555 N
O2 C1 1.268(9) . 1_555 N
O2 C2 2.396(11) . 1_555 N
O2 C4 2.743(11) . -201_444 N
O2 H 2.627(13) . 1_556 N
O2 H 2.407(12) . -201_444 N
O3 Cu 1.945(7) . 1_555 N
O3 Cu 2.000(8) . 103_554 N
O3 O1 2.773(10) . 1_555 N
O3 O1 2.671(9) . 103_554 N
O3 C2 2.417(10) . 1_555 N
O3 C3 1.335(8) . 1_555 N
O3 C4 2.348(8) . 1_555 N
O3 H 2.550(10) . 1_555 N
C1 Cu 2.917(8) . 1_555 N
C1 Cu 2.729(8) . 103_555 N
C1 O1 1.254(8) . 1_555 N
C1 O2 1.268(9) . 1_555 N
C1 C2 1.530(8) . 1_555 N
C1 C3 2.558(8) . 1_555 N
C1 C4 2.471(9) . -201_444 N
C1 H 2.615(10) . -201_444 N
C2 O1 2.393(8) . 1_555 N
C2 O2 2.396(11) . 1_555 N
C2 O3 2.417(10) . 1_555 N
C2 C1 1.530(8) . 1_555 N
C2 C2 2.759(13) . -201_444 N
C2 C3 1.387(8) . 1_555 N
C2 C3 2.442(8) . -201_444 N
C2 C4 2.403(8) . 1_555 N
C2 C4 1.407(9) . -201_444 N
C2 H 2.120(12) . -201_444 N
C3 Cu 2.899(8) . 1_555 N
C3 Cu 2.875(8) . 103_554 N
C3 O3 1.335(8) . 1_555 N
C3 C1 2.558(8) . 1_555 N
C3 C2 1.387(8) . 1_555 N
C3 C2 2.442(8) . -201_444 N
C3 C4 1.420(8) . 1_555 N
C3 C4 2.452(8) . -201_444 N
C3 H 2.123(11) . 1_555 N
C4 O2 2.743(11) . -201_444 N
C4 O3 2.348(8) . 1_555 N
C4 C1 2.471(9) . -201_444 N
C4 C2 2.403(8) . 1_555 N
C4 C2 1.407(9) . -201_444 N
C4 C3 1.420(8) . 1_555 N
C4 C3 2.452(8) . -201_444 N
C4 H 1.023(13) . 1_555 N
H O2 2.627(13) . 1_554 N
H O2 2.407(12) . -201_444 N
H O3 2.550(10) . 1_555 N
H C1 2.615(10) . -201_444 N
H C2 2.120(12) . -201_444 N
H C3 2.123(11) . 1_555 N
H C4 1.023(13) . 1_555 N
H H 2.353(20) . -201_443 N
O1a C1a 1.167(11) . 1_555 N
O1a O1b 2.326(16) . 1_555 N
O1a C2a 2.66(7) . 102_554 N
O1a O2b 2.34(7) . 102_554 N
C1a O1a 1.167(11) . 1_555 N
C1a O1b 1.159(11) . 1_555 N
O1b Cu 2.86(4) . 201_455 N
O1b O1a 2.326(16) . 1_555 N
O1b C1a 1.159(11) . 1_555 N
O2a C2a 1.164(11) . 1_555 N
O2a O2b 2.324(16) . 1_555 N
O2a O2b 2.80(9) . -3_556 N
C2a O1a 2.66(7) . 203_455 N
C2a O2a 1.164(11) . 1_555 N
C2a O2b 1.160(11) . 1_555 N
O2b O1a 2.34(7) . 203_455 N
O2b O2a 2.324(16) . 1_555 N
O2b O2a 2.80(9) . -2_556 N
O2b C2a 1.160(11) . 1_555 N
O3a O3a 2.326(22) . -1_556 N
O3a C3a 1.163(11) . 1_555 N
C3a O3a 1.163(11) . 1_555 N
C3a O3a 1.163(11) . -1_556 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu Cu Cu 103.81(16) 103_554 . 202_555 N
Cu Cu O1 104.47(32) 103_554 . 1_555 N
Cu Cu O1 40.23(18) 103_554 . 103_554 N
Cu Cu O1 48.81(14) 103_554 . 202_554 N
Cu Cu O2 91.37(22) 103_554 . 202_554 N
Cu Cu O3 41.77(25) 103_554 . 1_555 N
Cu Cu O3 124.20(33) 103_554 . 202_555 N
Cu Cu C1 89.10(22) 103_554 . 1_555 N
Cu Cu C1 70.19(13) 103_554 . 202_554 N
Cu Cu C3 58.60(23) 103_554 . 1_555 N
Cu Cu C3 145.51(28) 103_554 . 202_555 N
Cu Cu O1b 138.7(8) 103_554 . 101_544 N
Cu Cu O1 54.27(22) 202_555 . 1_555 N
Cu Cu O1 63.63(19) 202_555 . 103_554 N
Cu Cu O1 108.99(22) 202_555 . 202_554 N
Cu Cu O2 131.4(4) 202_555 . 202_554 N
Cu Cu O3 127.46(27) 202_555 . 1_555 N
Cu Cu O3 40.36(21) 202_555 . 202_555 N
Cu Cu C1 67.77(15) 202_555 . 1_555 N
Cu Cu C1 122.49(27) 202_555 . 202_554 N
Cu Cu C3 115.49(22) 202_555 . 1_555 N
Cu Cu C3 59.39(22) 202_555 . 202_555 N
Cu Cu O1b 115.6(7) 202_555 . 101_544 N
O1 Cu O1 82.54(23) 1_555 . 103_554 N
O1 Cu O1 147.9(4) 1_555 . 202_554 N
O1 Cu O2 161.6(5) 1_555 . 202_554 N
O1 Cu O3 91.5(4) 1_555 . 1_555 N
O1 Cu O3 85.71(32) 1_555 . 202_555 N
O1 Cu C1 18.68(23) 1_555 . 1_555 N
O1 Cu C1 173.5(4) 1_555 . 202_554 N
O1 Cu C3 70.29(27) 1_555 . 1_555 N
O1 Cu C3 89.71(31) 1_555 . 202_555 N
O1 Cu O1b 89.6(8) 1_555 . 101_544 N
O1 Cu O1 65.41(20) 103_554 . 202_554 N
O1 Cu O2 115.9(4) 103_554 . 202_554 N
O1 Cu O3 74.54(28) 103_554 . 1_555 N
O1 Cu O3 89.68(32) 103_554 . 202_555 N
O1 Cu C1 76.46(21) 103_554 . 1_555 N
O1 Cu C1 90.93(27) 103_554 . 202_554 N
O1 Cu C3 80.37(24) 103_554 . 1_555 N
O1 Cu C3 113.94(29) 103_554 . 202_555 N
O1 Cu O1b 170.6(8) 103_554 . 101_544 N
O1 Cu O2 50.58(28) 202_554 . 202_554 N
O1 Cu O3 78.25(29) 202_554 . 1_555 N
O1 Cu O3 95.99(31) 202_554 . 202_555 N
O1 Cu C1 136.97(24) 202_554 . 1_555 N
O1 Cu C1 25.64(17) 202_554 . 202_554 N
O1 Cu C3 100.55(27) 202_554 . 1_555 N
O1 Cu C3 104.91(25) 202_554 . 202_555 N
O1 Cu O1b 122.1(8) 202_554 . 101_544 N
O2 Cu O3 94.27(34) 202_554 . 1_555 N
O2 Cu O3 93.2(4) 202_554 . 202_555 N
O2 Cu C1 159.74(34) 202_554 . 1_555 N
O2 Cu C1 24.97(24) 202_554 . 202_554 N
O2 Cu C3 111.82(31) 202_554 . 1_555 N
O2 Cu C3 82.13(25) 202_554 . 202_555 N
O2 Cu O1b 72.1(8) 202_554 . 101_544 N
O3 Cu O3 164.2(4) 1_555 . 202_555 N
O3 Cu C1 72.86(26) 1_555 . 1_555 N
O3 Cu C1 86.82(29) 1_555 . 202_554 N
O3 Cu C3 22.66(28) 1_555 . 1_555 N
O3 Cu C3 171.52(34) 1_555 . 202_555 N
O3 Cu O1b 100.6(8) 1_555 . 101_544 N
O3 Cu C1 103.22(29) 202_555 . 1_555 N
O3 Cu C1 94.23(29) 202_555 . 202_554 N
O3 Cu C3 154.93(31) 202_555 . 1_555 N
O3 Cu C3 24.26(23) 202_555 . 202_555 N
O3 Cu O1b 95.0(7) 202_555 . 101_544 N
C1 Cu C1 158.24(27) 1_555 . 202_554 N
C1 Cu C3 52.17(17) 1_555 . 1_555 N
C1 Cu C3 108.34(26) 1_555 . 202_555 N
C1 Cu O1b 94.4(8) 1_555 . 101_544 N
C1 Cu C3 108.78(26) 202_554 . 1_555 N
C1 Cu C3 92.91(20) 202_554 . 202_555 N
C1 Cu O1b 96.9(8) 202_554 . 101_544 N
C3 Cu C3 154.22(31) 1_555 . 202_555 N
C3 Cu O1b 92.1(8) 1_555 . 101_544 N
C3 Cu O1b 71.0(7) 202_555 . 101_544 N
Cu O1 Cu 152.9(4) 1_555 . 103_555 N
Cu O1 Cu 85.50(28) 1_555 . 202_555 N
Cu O1 O2 156.2(4) 1_555 . 1_555 N
Cu O1 O3 44.52(22) 1_555 . 1_555 N
Cu O1 O3 48.30(25) 1_555 . 202_555 N
Cu O1 C1 131.9(6) 1_555 . 1_555 N
Cu O1 C2 99.3(4) 1_555 . 1_555 N
Cu O1 Cu 67.55(20) 103_555 . 202_555 N
Cu O1 O2 42.30(24) 103_555 . 1_555 N
Cu O1 O3 153.16(30) 103_555 . 1_555 N
Cu O1 O3 105.88(29) 103_555 . 202_555 N
Cu O1 C1 70.3(4) 103_555 . 1_555 N
Cu O1 C2 104.51(29) 103_555 . 1_555 N
Cu O1 O2 101.0(4) 202_555 . 1_555 N
Cu O1 O3 117.07(33) 202_555 . 1_555 N
Cu O1 O3 44.56(19) 202_555 . 202_555 N
Cu O1 C1 123.5(6) 202_555 . 1_555 N
Cu O1 C2 144.4(4) 202_555 . 1_555 N
O2 O1 O3 114.0(4) 1_555 . 1_555 N
O2 O1 O3 145.1(4) 1_555 . 202_555 N
O2 O1 C1 28.0(4) 1_555 . 1_555 N
O2 O1 C2 62.30(31) 1_555 . 1_555 N
O3 O1 O3 91.71(33) 1_555 . 202_555 N
O3 O1 C1 87.4(5) 1_555 . 1_555 N
O3 O1 C2 55.21(27) 1_555 . 1_555 N
O3 O1 C1 164.9(6) 202_555 . 1_555 N
O3 O1 C2 146.8(4) 202_555 . 1_555 N
C1 O1 C2 34.3(4) 1_555 . 1_555 N
Cu O2 O1 87.1(4) 103_555 . 1_555 N
Cu O2 C1 114.7(6) 103_555 . 1_555 N
Cu O2 C2 149.0(5) 103_555 . 1_555 N
Cu O2 C4 165.6(4) 103_555 . -201_555 N
Cu O2 H 99.1(4) 103_555 . 1_556 N
Cu O2 H 150.3(4) 103_555 . -201_555 N
O1 O2 C1 27.7(4) 1_555 . 1_555 N
O1 O2 C2 62.19(29) 1_555 . 1_555 N
O1 O2 C4 91.45(35) 1_555 . -201_555 N
O1 O2 H 100.8(4) 1_555 . 1_556 N
O1 O2 H 110.8(4) 1_555 . -201_555 N
C1 O2 C2 34.5(4) 1_555 . 1_555 N
C1 O2 C4 64.2(4) 1_555 . -201_555 N
C1 O2 H 93.8(5) 1_555 . 1_556 N
C1 O2 H 84.7(5) 1_555 . -201_555 N
C2 O2 C4 30.84(22) 1_555 . -201_555 N
C2 O2 H 83.9(4) 1_555 . 1_556 N
C2 O2 H 52.38(30) 1_555 . -201_555 N
C4 O2 H 67.13(30) -201_555 . 1_556 N
C4 O2 H 21.69(28) -201_555 . -201_555 N
H O2 H 55.5(4) 1_556 . -201_555 N
Cu O3 Cu 97.9(4) 1_555 . 103_554 N
Cu O3 O1 44.01(23) 1_555 . 1_555 N
Cu O3 O1 60.90(26) 1_555 . 103_554 N
Cu O3 C2 98.00(34) 1_555 . 1_555 N
Cu O3 C3 123.2(6) 1_555 . 1_555 N
Cu O3 C4 150.3(5) 1_555 . 1_555 N
Cu O3 H 158.8(4) 1_555 . 1_555 N
Cu O3 O1 109.7(4) 103_554 . 1_555 N
Cu O3 O1 46.00(22) 103_554 . 103_554 N
Cu O3 C2 115.9(4) 103_554 . 1_555 N
Cu O3 C3 117.7(5) 103_554 . 1_555 N
Cu O3 C4 109.8(4) 103_554 . 1_555 N
Cu O3 H 100.1(4) 103_554 . 1_555 N
O1 O3 O1 64.15(28) 1_555 . 103_554 N
O1 O3 C2 54.40(24) 1_555 . 1_555 N
O1 O3 C3 81.3(5) 1_555 . 1_555 N
O1 O3 C4 113.3(4) 1_555 . 1_555 N
O1 O3 H 136.3(4) 1_555 . 1_555 N
O1 O3 C2 93.23(29) 103_554 . 1_555 N
O1 O3 C3 114.9(5) 103_554 . 1_555 N
O1 O3 C4 134.6(4) 103_554 . 1_555 N
O1 O3 H 140.2(4) 103_554 . 1_555 N
C2 O3 C3 27.9(4) 1_555 . 1_555 N
C2 O3 C4 60.56(28) 1_555 . 1_555 N
C2 O3 H 84.21(33) 1_555 . 1_555 N
C3 O3 C4 32.67(32) 1_555 . 1_555 N
C3 O3 H 56.3(4) 1_555 . 1_555 N
C4 O3 H 23.66(30) 1_555 . 1_555 N
Cu C1 Cu 111.97(23) 1_555 . 103_555 N
Cu C1 O1 29.5(4) 1_555 . 1_555 N
Cu C1 O2 150.3(5) 1_555 . 1_555 N
Cu C1 C2 90.5(4) 1_555 . 1_555 N
Cu C1 C3 63.54(21) 1_555 . 1_555 N
Cu C1 C4 120.96(31) 1_555 . -201_555 N
Cu C1 H 143.21(32) 1_555 . -201_555 N
Cu C1 O1 84.1(4) 103_555 . 1_555 N
Cu C1 O2 40.3(4) 103_555 . 1_555 N
Cu C1 C2 157.5(4) 103_555 . 1_555 N
Cu C1 C3 173.92(31) 103_555 . 1_555 N
Cu C1 C4 126.73(34) 103_555 . -201_555 N
Cu C1 H 103.82(32) 103_555 . -201_555 N
O1 C1 O2 124.3(7) 1_555 . 1_555 N
O1 C1 C2 118.2(6) 1_555 . 1_555 N
O1 C1 C3 92.1(5) 1_555 . 1_555 N
O1 C1 C4 145.8(5) 1_555 . -201_555 N
O1 C1 H 160.3(6) 1_555 . -201_555 N
O2 C1 C2 117.5(6) 1_555 . 1_555 N
O2 C1 C3 142.9(6) 1_555 . 1_555 N
O2 C1 C4 88.2(5) 1_555 . -201_555 N
O2 C1 H 66.4(4) 1_555 . -201_555 N
C2 C1 C3 27.21(31) 1_555 . 1_555 N
C2 C1 C4 31.17(31) 1_555 . -201_555 N
C2 C1 H 54.15(35) 1_555 . -201_555 N
C3 C1 C4 58.33(24) 1_555 . -201_555 N
C3 C1 H 81.31(33) 1_555 . -201_555 N
C4 C1 H 22.99(28) -201_555 . -201_555 N
O1 C2 O2 55.51(29) 1_555 . 1_555 N
O1 C2 O3 70.39(30) 1_555 . 1_555 N
O1 C2 C1 27.50(29) 1_555 . 1_555 N
O1 C2 C2 154.8(5) 1_555 . -201_444 N
O1 C2 C3 96.1(5) 1_555 . 1_555 N
O1 C2 C3 164.24(34) 1_555 . -201_555 N
O1 C2 C4 126.5(4) 1_555 . 1_555 N
O1 C2 C4 139.2(6) 1_555 . -201_555 N
O1 C2 H 115.5(4) 1_555 . -201_555 N
O2 C2 O3 121.8(4) 1_555 . 1_555 N
O2 C2 C1 28.02(29) 1_555 . 1_555 N
O2 C2 C2 148.5(4) 1_555 . -201_444 N
O2 C2 C3 148.5(6) 1_555 . 1_555 N
O2 C2 C3 118.6(4) 1_555 . -201_555 N
O2 C2 C4 174.8(4) 1_555 . 1_555 N
O2 C2 C4 88.3(5) 1_555 . -201_555 N
O2 C2 H 64.09(34) 1_555 . -201_555 N
O3 C2 C1 96.0(4) 1_555 . 1_555 N
O3 C2 C2 88.92(34) 1_555 . -201_444 N
O3 C2 C3 26.8(4) 1_555 . 1_555 N
O3 C2 C3 119.1(4) 1_555 . -201_555 N
O3 C2 C4 58.29(24) 1_555 . 1_555 N
O3 C2 C4 149.5(6) 1_555 . -201_555 N
O3 C2 H 174.0(4) 1_555 . -201_555 N
C1 C2 C2 173.5(5) 1_555 . -201_444 N
C1 C2 C3 122.5(6) 1_555 . 1_555 N
C1 C2 C3 144.8(5) 1_555 . -201_555 N
C1 C2 C4 153.8(5) 1_555 . 1_555 N
C1 C2 C4 114.6(6) 1_555 . -201_555 N
C1 C2 H 90.1(4) 1_555 . -201_555 N
C2 C2 C3 62.2(4) -201_555 . 1_555 N
C2 C2 C3 30.15(20) -201_555 . -201_555 N
C2 C2 C4 30.65(21) -201_555 . 1_555 N
C2 C2 C4 60.6(4) -201_555 . -201_555 N
C2 C2 H 85.1(4) -201_555 . -201_555 N
C3 C2 C3 92.3(5) 1_555 . -201_555 N
C3 C2 C4 31.5(4) 1_555 . 1_555 N
C3 C2 C4 122.7(6) 1_555 . -201_555 N
C3 C2 H 147.2(6) 1_555 . -201_555 N
C3 C2 C4 60.79(25) -201_555 . 1_555 N
C3 C2 C4 30.42(31) -201_555 . -201_555 N
C3 C2 H 54.93(33) -201_555 . -201_555 N
C4 C2 C4 91.2(5) 1_555 . -201_555 N
C4 C2 H 115.7(4) 1_555 . -201_555 N
C4 C2 H 24.5(4) -201_555 . -201_555 N
Cu C3 Cu 62.01(21) 1_555 . 103_554 N
Cu C3 O3 34.1(4) 1_555 . 1_555 N
Cu C3 C1 64.28(24) 1_555 . 1_555 N
Cu C3 C2 94.3(4) 1_555 . 1_555 N
Cu C3 C2 167.39(32) 1_555 . -201_444 N
Cu C3 C4 145.6(5) 1_555 . 1_555 N
Cu C3 C4 122.4(4) 1_555 . -201_555 N
Cu C3 H 122.5(4) 1_555 . 1_555 N
Cu C3 O3 38.0(4) 103_554 . 1_555 N
Cu C3 C1 98.91(29) 103_554 . 1_555 N
Cu C3 C2 119.1(5) 103_554 . 1_555 N
Cu C3 C2 127.35(31) 103_554 . -201_444 N
Cu C3 C4 107.2(4) 103_554 . 1_555 N
Cu C3 C4 135.08(34) 103_554 . -201_555 N
Cu C3 H 87.7(4) 103_554 . 1_555 N
O3 C3 C1 95.3(5) 1_555 . 1_555 N
O3 C3 C2 125.3(7) 1_555 . 1_555 N
O3 C3 C2 146.9(6) 1_555 . -201_444 N
O3 C3 C4 116.9(6) 1_555 . 1_555 N
O3 C3 C4 154.1(6) 1_555 . -201_555 N
O3 C3 H 92.1(5) 1_555 . 1_555 N
C1 C3 C2 30.29(32) 1_555 . 1_555 N
C1 C3 C2 117.83(34) 1_555 . -201_444 N
C1 C3 C4 147.8(5) 1_555 . 1_555 N
C1 C3 C4 59.08(27) 1_555 . -201_555 N
C1 C3 H 172.5(4) 1_555 . 1_555 N
C2 C3 C2 87.7(5) 1_555 . -201_444 N
C2 C3 C4 117.8(6) 1_555 . 1_555 N
C2 C3 C4 28.9(4) 1_555 . -201_555 N
C2 C3 H 142.5(6) 1_555 . 1_555 N
C2 C3 C4 30.10(33) -201_555 . 1_555 N
C2 C3 C4 58.83(25) -201_555 . -201_555 N
C2 C3 H 54.8(4) -201_555 . 1_555 N
C4 C3 C4 88.9(4) 1_555 . -201_555 N
C4 C3 H 24.7(4) 1_555 . 1_555 N
C4 C3 H 113.6(4) -201_555 . 1_555 N
O2 C4 O3 149.3(4) -201_444 . 1_555 N
O2 C4 C1 27.53(21) -201_444 . -201_444 N
O2 C4 C2 149.20(31) -201_444 . 1_555 N
O2 C4 C2 60.8(4) -201_444 . -201_444 N
O2 C4 C3 175.7(5) -201_555 . 1_555 N
O2 C4 C3 89.12(30) -201_555 . -201_555 N
O2 C4 H 60.4(6) -201_555 . 1_555 N
O3 C4 C1 174.0(4) 1_555 . -201_444 N
O3 C4 C2 61.15(30) 1_555 . 1_555 N
O3 C4 C2 149.9(6) 1_555 . -201_444 N
O3 C4 C3 30.47(35) 1_555 . 1_555 N
O3 C4 C3 121.5(5) 1_555 . -201_555 N
O3 C4 H 89.3(7) 1_555 . 1_555 N
C1 C4 C2 122.89(31) -201_444 . 1_555 N
C1 C4 C2 34.3(4) -201_444 . -201_444 N
C1 C4 C3 153.5(5) -201_555 . 1_555 N
C1 C4 C3 62.59(23) -201_555 . -201_555 N
C1 C4 H 86.4(7) -201_555 . 1_555 N
C2 C4 C2 88.8(5) 1_555 . -201_444 N
C2 C4 C3 30.70(31) 1_555 . 1_555 N
C2 C4 C3 60.38(27) 1_555 . -201_555 N
C2 C4 H 150.4(7) 1_555 . 1_555 N
C2 C4 C3 119.5(6) -201_555 . 1_555 N
C2 C4 C3 28.40(33) -201_555 . -201_555 N
C2 C4 H 120.7(8) -201_555 . 1_555 N
C3 C4 C3 91.1(4) 1_555 . -201_555 N
C3 C4 H 119.8(8) 1_555 . 1_555 N
C3 C4 H 149.0(7) -201_555 . 1_555 N
O2 H O2 124.5(4) 1_554 . -201_444 N
O2 H O3 67.21(34) 1_554 . 1_555 N
O2 H C1 123.6(4) 1_554 . -201_444 N
O2 H C2 121.5(5) 1_554 . -201_444 N
O2 H C3 85.4(4) 1_554 . 1_555 N
O2 H C4 106.9(8) 1_554 . 1_555 N
O2 H H 57.5(4) 1_554 . -201_554 N
O2 H O3 164.2(5) -201_444 . 1_555 N
O2 H C1 28.88(24) -201_444 . -201_444 N
O2 H C2 63.5(4) -201_444 . -201_444 N
O2 H C3 133.3(5) -201_555 . 1_555 N
O2 H C4 97.9(7) -201_555 . 1_555 N
O2 H H 67.0(5) -201_555 . -201_554 N
O3 H C1 137.4(4) 1_555 . -201_444 N
O3 H C2 101.8(4) 1_555 . -201_444 N
O3 H C3 31.54(26) 1_555 . 1_555 N
O3 H C4 67.0(6) 1_555 . 1_555 N
O3 H H 123.5(7) 1_555 . -201_554 N
C1 H C2 35.79(26) -201_444 . -201_444 N
C1 H C3 106.0(4) -201_555 . 1_555 N
C1 H C4 70.6(6) -201_555 . 1_555 N
C1 H H 73.8(5) -201_555 . -201_554 N
C2 H C3 70.27(32) -201_555 . 1_555 N
C2 H C4 34.8(5) -201_555 . 1_555 N
C2 H H 97.3(6) -201_555 . -201_554 N
C3 H C4 35.5(5) 1_555 . 1_555 N
C3 H H 127.7(7) 1_555 . -201_554 N
C4 H H 117.7(9) 1_555 . -201_554 N
C1a O1a O1b 0.000(10) 1_555 . 1_555 N
C1a O1a C2a 134(4) 1_555 . 102_554 N
C1a O1a O2b 152(4) 1_555 . 102_554 N
O1b O1a C2a 134.6(26) 1_555 . 102_554 N
O1b O1a O2b 152.0(27) 1_555 . 102_554 N
C2a O1a O2b 25.9(8) 102_554 . 102_554 N
O1a C1a O1b 180.00(4) 1_555 . 1_555 N
Cu O1b O1a 117.6(21) 201_455 . 1_555 N
Cu O1b C1a 118(4) 201_455 . 1_555 N
O1a O1b C1a 0.000(10) 1_555 . 1_555 N
C2a O2a O2b 0.000(14) 1_555 . 1_555 N
C2a O2a O2b 113(6) 1_555 . -3_556 N
O2b O2a O2b 113.0(33) 1_555 . -3_556 N
O1a C2a O2a 118(6) 203_455 . 1_555 N
O1a C2a O2b 61.5(33) 203_455 . 1_555 N
O2a C2a O2b 179.1(35) 1_555 . 1_555 N
O1a O2b O2a 92.5(28) 203_455 . 1_555 N
O1a O2b O2a 124.1(30) 203_455 . -2_556 N
O1a O2b C2a 93(4) 203_455 . 1_555 N
O2a O2b O2a 111(4) 1_555 . -2_556 N
O2a O2b C2a 0.000(14) 1_555 . 1_555 N
O2a O2b C2a 111(4) -2_556 . 1_555 N
O3a O3a C3a 0.0 -1_556 . 1_555 N
O3a C3a O3a 180.0 1_555 . -1_556 N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      ?
_diffrn_source                   ?
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Cu 18.0 0.7718 International_Tables_Vol_C
O 66.217 0.5803 International_Tables_Vol_C
C 78.108 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.0775
_pd_proc_ls_prof_R_factor        0.0266
_pd_proc_ls_prof_wR_factor       0.0321
_pd_proc_ls_prof_wR_expected     0.0287
_refine_ls_R_Fsqd_factor         0.02721

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    965.477     2:   -190.942     3:    146.260     4:   -40.8093    
      5:    78.8735     6:   -65.3384     7:    59.6577     8:   -35.2426    
      9:    26.3291    10:   -6.77303    11:    8.40015    12:  -0.806865    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  394.013 #2(GV)   = -185.715 #3(GW)   =   58.461
 #4(GP)   =   45.510 #5(LX)   =    5.259 #6(LY)   =   13.925
 #7(S/L)  =   0.0272 #8(H/L)  =   0.0404
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-05-06T14:34:18
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5193
_pd_proc_2theta_range_max        166.2693
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
9010(200) 0.0 2722. .
8330(200) 0.0 2705. .
7650(190) 0.0 2687. .
7090(180) 0.0 2670. .
6710(180) 0.0 2653. .
6410(170) 0.0 2636. .
5830(160) 0.0 2620. .
6000(170) 0.0 2603. .
5370(160) 0.0 2587. .
5470(160) 0.0 2571. .
5480(160) 0.0 2554. .
5010(150) 0.0 2538. .
5000(150) 0.0 2522. .
4760(150) 0.0 2507. .
4840(150) 0.0 2491. .
4740(150) 0.0 2476. .
4570(150) 0.0 2460. .
4350(140) 0.0 2445. .
4270(140) 0.0 2430. .
4650(150) 0.0 2415. .
4610(150) 0.0 2400. .
4480(140) 0.0 2386. .
4370(140) 0.0 2371. .
4010(140) 0.0 2357. .
4110(140) 0.0 2342. .
4210(140) 0.0 2328. .
3910(140) 0.0 2314. .
4080(140) 0.0 2300. .
4130(140) 0.0 2286. .
3770(130) 0.0 2272. .
3980(140) 0.0 2259. .
3620(130) 0.0 2245. .
3480(130) 0.0 2232. .
3490(130) 0.0 2219. .
3550(130) 0.0 2206. .
3280(120) 0.0 2193. .
3210(120) 0.0 2180. .
2970(120) 0.0 2167. .
3120(120) 0.0 2154. .
3080(120) 0.0 2142. .
3050(120) 0.0 2129. .
2820(120) 0.0 2117. .
2830(120) 0.0 2105. .
2910(120) 0.0 2093. .
2780(110) 0.0 2081. .
2540(110) 0.0 2069. .
2460(110) 0.0 2057. .
2630(110) 0.0 2045. .
2680(110) 0.0 2034. .
2430(110) 0.0 2022. .
2400(110) 0.0 2011. .
2530(110) 0.0 2000. .
2400(110) 0.0 1989. .
2420(110) 0.0 1977. .
2350(110) 0.0 1967. .
2210(100) 0.0 1956. .
2220(100) 0.0 1945. .
2160(100) 0.0 1934. .
2051(99) 0.0 1924. .
2180(100) 0.0 1913. .
2170(100) 0.0 1903. .
2250(100) 0.0 1893. .
2120(100) 0.0 1882. .
2150(100) 0.0 1872. .
2320(110) 0.0 1862. .
1950(97) 0.0 1852. .
1960(97) 0.0 1843. .
1991(97) 0.0 1833. .
1873(95) 0.0 1823. .
1818(93) 0.0 1814. .
1818(93) 0.0 1804. .
2010(98) 0.0 1795. .
1782(92) 0.0 1785. .
1855(94) 0.0 1776. .
1832(94) 0.0 1767. .
1773(92) 0.0 1758. .
1700(90) 0.0 1749. .
1782(92) 0.0 1740. .
1759(92) 0.0 1732. .
1627(89) 0.0 1723. .
1691(90) 0.0 1714. .
1727(91) 0.0 1706. .
1618(88) 0.0 1697. .
1750(92) 0.0 1689. .
1809(93) 0.0 1681. .
1718(91) 0.0 1672. .
1577(87) 0.0 1664. .
1640(89) 0.0 1656. .
1649(89) 0.0 1648. .
1618(88) 0.0 1640. .
1691(90) 0.0 1633. .
1663(89) 0.0001262 1625. 1625.
1581(87) 0.0001321 1617. 1617.
1608(88) 0.0001291 1610. 1610.
1599(88) 0.0001291 1602. 1602.
1636(89) 0.0001262 1595. 1595.
1513(86) 0.0001352 1587. 1587.
1549(87) 0.0001321 1580. 1580.
1449(84) 0.0001417 1573. 1573.
1622(88) 0.0001291 1566. 1566.
1743(63) 0.0002520 1559. 1585.
1718(62) 0.0002601 1552. 1579.
1628(60) 0.0002778 1545. 1573.
1700(62) 0.0002601 1538. 1567.
1678(61) 0.0002687 1531. 1562.
1717(62) 0.0002601 1524. 1557.
1570(59) 0.0002873 1517. 1551.
1563(59) 0.0002873 1511. 1546.
1548(59) 0.0002873 1504. 1542.
1526(59) 0.0002873 1498. 1537.
1540(59) 0.0002873 1491. 1532.
1476(58) 0.0002973 1485. 1528.
1484(58) 0.0002973 1479. 1524.
1528(59) 0.0002873 1473. 1520.
1485(58) 0.0002973 1466. 1517.
1479(58) 0.0002973 1460. 1514.
1525(59) 0.0002873 1454. 1511.
1431(57) 0.0003078 1448. 1509.
1523(59) 0.0002873 1442. 1507.
1491(58) 0.0002973 1437. 1505.
1484(58) 0.0002973 1431. 1504.
1458(57) 0.0003078 1425. 1503.
1569(59) 0.0002873 1419. 1503.
1457(57) 0.0003078 1414. 1504.
1516(58) 0.0002973 1408. 1506.
1529(59) 0.0002873 1403. 1509.
1511(58) 0.0002973 1397. 1513.
1501(58) 0.0002973 1392. 1518.
1659(61) 0.0002687 1387. 1525.
1635(61) 0.0002687 1381. 1534.
1619(60) 0.0002778 1376. 1546.
1710(62) 0.0002601 1371. 1562.
1775(63) 0.0002520 1366. 1585.
1854(64) 0.0002441 1361. 1618.
1984(67) 0.0002228 1356. 1674.
2236(71) 0.0001984 1351. 1769.
2300(72) 0.0001929 1346. 1926.
2513(75) 0.0001778 1341. 2171.
2947(81) 0.0001524 1336. 2521.
3202(84) 0.0001417 1331. 2982.
3488(88) 0.0001291 1327. 3552.
3980(94) 0.0001132 1322. 4227.
4550(100) 0.0001000 1318. 5012.
5380(110) 0.0000842 1313. 5921.
6520(120) 0.0000694 1309. 6984.
7690(130) 0.0000592 1304. 8248.
8900(140) 0.0000510 1300. 9790.
11020(160) 0.0000416 1295. 11740.
13640(170) 0.0000334 1291. 14281.
17750(200) 0.0000258 1287. 17603.
22170(220) 0.0000207 1283. 21695.
26810(240) 0.0000171 1278. 26022.
29570(250) 0.0000155 1274. 29311.
30000(260) 0.0000153 1270. 29848.
26910(240) 0.0000171 1266. 26546.
20450(210) 0.0000225 1262. 20335.
14050(180) 0.0000327 1258. 13656.
8680(140) 0.0000525 1254. 8368.
5090(110) 0.0000890 1251. 5021.
3239(84) 0.0001417 1247. 3255.
2074(68) 0.0002163 1243. 2434.
1799(63) 0.0002520 1239. 2061.
1622(60) 0.0002778 1236. 1870.
1577(59) 0.0002873 1232. 1750.
1556(59) 0.0002873 1228. 1664.
1323(55) 0.0003306 1225. 1596.
1374(56) 0.0003189 1221. 1542.
1315(54) 0.0003429 1218. 1498.
1384(56) 0.0003189 1214. 1461.
1352(55) 0.0003306 1211. 1430.
1350(55) 0.0003306 1208. 1403.
1310(54) 0.0003429 1204. 1380.
1299(54) 0.0003429 1201. 1360.
1283(54) 0.0003429 1198. 1342.
1189(52) 0.000370 1195. 1326.
1251(53) 0.000356 1191. 1312.
1186(52) 0.000370 1188. 1299.
1311(54) 0.0003429 1185. 1288.
1192(52) 0.000370 1182. 1277.
1157(51) 0.000384 1179. 1267.
1170(51) 0.000384 1176. 1258.
1117(50) 0.000400 1173. 1250.
1154(51) 0.000384 1170. 1242.
1198(52) 0.000370 1167. 1234.
1149(51) 0.000384 1165. 1228.
1059(49) 0.000416 1162. 1221.
1243(53) 0.000356 1159. 1215.
1123(51) 0.000384 1156. 1209.
1212(52) 0.000370 1154. 1203.
1235(53) 0.000356 1151. 1198.
1098(50) 0.000400 1148. 1193.
1124(51) 0.000384 1146. 1188.
1052(49) 0.000416 1143. 1184.
1138(51) 0.000384 1141. 1179.
1132(51) 0.000384 1138. 1175.
1182(52) 0.000370 1136. 1171.
1140(69) 0.0002100 1133. 1167.
1221(72) 0.0001929 1131. 1163.
1210(71) 0.0001984 1128. 1159.
1073(67) 0.0002228 1126. 1155.
1174(51) 0.000384 1124. 1152.
1112(50) 0.000400 1121. 1148.
1120(50) 0.000400 1119. 1145.
1112(50) 0.000400 1117. 1142.
1111(50) 0.000400 1115. 1139.
1068(49) 0.000416 1112. 1136.
1032(48) 0.000434 1110. 1110.
1079(49) 0.000416 1108. 1108.
1113(50) 0.000400 1106. 1106.
1109(50) 0.000400 1104. 1104.
1124(50) 0.000400 1102. 1102.
1107(50) 0.000400 1100. 1100.
1086(49) 0.000416 1098. 1098.
1067(49) 0.000416 1096. 1096.
1106(50) 0.000400 1094. 1094.
1110(50) 0.000400 1092. 1092.
1086(50) 0.000400 1090. 1090.
1158(51) 0.000384 1088. 1088.
1088(50) 0.000400 1086. 1086.
1110(50) 0.000400 1085. 1085.
1123(50) 0.000400 1083. 1083.
1098(50) 0.000400 1081. 1081.
1123(50) 0.000400 1079. 1079.
1085(49) 0.000416 1078. 1078.
1056(49) 0.000416 1076. 1076.
1087(49) 0.000416 1074. 1074.
1072(49) 0.000416 1073. 1073.
1016(48) 0.000434 1071. 1071.
1065(49) 0.000416 1069. 1069.
1064(49) 0.000416 1068. 1068.
1004(48) 0.000434 1066. 1066.
1118(50) 0.000400 1065. 1065.
1140(51) 0.000384 1063. 1063.
1123(50) 0.000400 1062. 1062.
1042(49) 0.000416 1060. 1060.
1098(50) 0.000400 1059. 1063.
1092(50) 0.000400 1057. 1062.
1041(48) 0.000434 1056. 1061.
1088(50) 0.000400 1054. 1060.
1056(49) 0.000416 1053. 1058.
1038(48) 0.000434 1052. 1057.
1130(50) 0.000400 1050. 1056.
1135(51) 0.000384 1049. 1055.
1057(49) 0.000416 1048. 1054.
1062(49) 0.000416 1047. 1053.
1056(49) 0.000416 1045. 1052.
1047(49) 0.000416 1044. 1051.
1036(48) 0.000434 1043. 1050.
1058(49) 0.000416 1042. 1050.
1141(51) 0.000384 1040. 1049.
1087(50) 0.000400 1039. 1048.
1092(50) 0.000400 1038. 1048.
1146(51) 0.000384 1037. 1047.
1058(49) 0.000416 1036. 1046.
1045(49) 0.000416 1035. 1046.
1024(48) 0.000434 1034. 1046.
1145(51) 0.000384 1033. 1045.
1119(50) 0.000400 1032. 1045.
1140(51) 0.000384 1031. 1045.
1090(50) 0.000400 1030. 1045.
1150(51) 0.000384 1029. 1045.
1142(51) 0.000384 1028. 1045.
1117(50) 0.000400 1027. 1046.
1110(50) 0.000400 1026. 1047.
1051(49) 0.000416 1025. 1047.
1028(48) 0.000434 1024. 1049.
1006(48) 0.000434 1023. 1050.
1054(49) 0.000416 1022. 1052.
1058(49) 0.000416 1021. 1054.
1044(49) 0.000416 1020. 1057.
1049(49) 0.000416 1020. 1060.
1112(50) 0.000400 1019. 1064.
1100(50) 0.000400 1018. 1070.
1127(50) 0.000400 1017. 1076.
1159(51) 0.000384 1016. 1085.
1106(50) 0.000400 1016. 1097.
1112(50) 0.000400 1015. 1115.
1242(53) 0.000356 1014. 1144.
1288(54) 0.0003429 1013. 1194.
1393(56) 0.0003189 1013. 1280.
1530(59) 0.0002873 1012. 1424.
1678(61) 0.0002687 1011. 1646.
1951(66) 0.0002296 1011. 1972.
2506(74) 0.0001826 1010. 2430.
3148(83) 0.0001452 1009. 3061.
3992(94) 0.0001132 1009. 3899.
5310(110) 0.0000857 1008. 4913.
6250(120) 0.0000731 1007. 5940.
6730(120) 0.0000672 1007. 6647.
6570(120) 0.0000694 1006. 6643.
5520(110) 0.0000826 1006. 5784.
4141(95) 0.0001108 1005. 4435.
2935(80) 0.0001562 1005. 3136.
2030(67) 0.0002228 1004. 2190.
1544(59) 0.0002873 1004. 1632.
1374(55) 0.0003306 1003. 1353.
1236(77) 0.0001687 1003. 1225.
1088(49) 0.000416 1002. 1164.
1181(51) 0.000384 1002. 1130.
1110(49) 0.000416 1001. 1107.
1153(50) 0.000400 1001. 1090.
1133(50) 0.000400 1000. 1077.
1155(50) 0.000400 1000. 1067.
1139(50) 0.000400 999. 1058.
1073(49) 0.000416 999. 1051.
1151(50) 0.000400 998. 1045.
1116(49) 0.000416 998. 1040.
1077(49) 0.000416 998. 1036.
1117(49) 0.000416 997. 1032.
1068(48) 0.000434 997. 1029.
1031(48) 0.000434 996. 1027.
1100(49) 0.000416 996. 1024.
1101(49) 0.000416 996. 1023.
1078(49) 0.000416 995. 1021.
1037(48) 0.000434 995. 1019.
1030(48) 0.000434 995. 1018.
1027(48) 0.000434 994. 1017.
1049(48) 0.000434 994. 1017.
1070(48) 0.000434 994. 1016.
1076(49) 0.000416 993. 1016.
1077(49) 0.000416 993. 1016.
998(47) 0.000453 993. 1016.
1029(48) 0.000434 993. 1016.
1108(49) 0.000416 992. 1017.
1047(48) 0.000434 992. 1019.
1102(49) 0.000416 992. 1021.
1127(50) 0.000400 992. 1024.
1053(48) 0.000434 991. 1028.
1094(49) 0.000416 991. 1036.
1111(49) 0.000416 991. 1051.
1113(49) 0.000416 991. 1076.
1167(51) 0.000384 991. 1121.
1138(50) 0.000400 990. 1194.
1261(52) 0.000370 990. 1306.
1466(56) 0.0003189 990. 1469.
1685(60) 0.0002778 990. 1690.
1951(65) 0.0002367 990. 1960.
2364(71) 0.0001984 989. 2230.
2552(74) 0.0001826 989. 2409.
2395(72) 0.0001929 989. 2399.
2116(67) 0.0002228 989. 2171.
1743(61) 0.0002687 989. 1828.
1452(56) 0.0003189 989. 1503.
1231(52) 0.000370 989. 1274.
1237(52) 0.000370 988. 1141.
1139(50) 0.000400 988. 1075.
1134(50) 0.000400 988. 1044.
1034(48) 0.000434 988. 1029.
1026(48) 0.000434 988. 1021.
1050(48) 0.000434 988. 1016.
1049(48) 0.000434 988. 1011.
1060(48) 0.000434 988. 1008.
1019(47) 0.000453 988. 1006.
1019(47) 0.000453 988. 1004.
1046(48) 0.000434 987. 1004.
1067(48) 0.000434 987. 1004.
1058(48) 0.000434 987. 1004.
1064(48) 0.000434 987. 1005.
1020(47) 0.000453 987. 1008.
999(47) 0.000453 987. 1014.
1058(48) 0.000434 987. 1024.
1055(48) 0.000434 987. 1039.
1156(50) 0.000400 987. 1060.
1181(51) 0.000384 987. 1086.
1207(51) 0.000384 987. 1112.
1329(54) 0.0003429 987. 1128.
1251(52) 0.000370 987. 1125.
1199(51) 0.000384 987. 1102.
1082(49) 0.000416 987. 1069.
1048(48) 0.000434 987. 1040.
1051(48) 0.000434 987. 1019.
1031(48) 0.000434 987. 1007.
970(46) 0.000473 987. 1001.
944(46) 0.000473 987. 999.
950(46) 0.000473 987. 998.
909(45) 0.000494 987. 997.
982(47) 0.000453 987. 997.
1029(48) 0.000434 987. 997.
1007(47) 0.000453 987. 997.
992(47) 0.000453 987. 997.
945(46) 0.000473 987. 997.
990(47) 0.000453 987. 997.
1032(48) 0.000434 987. 998.
864(44) 0.000517 987. 998.
1029(48) 0.000434 987. 999.
941(46) 0.000473 987. 1000.
912(45) 0.000494 987. 1001.
973(46) 0.000473 987. 1002.
955(46) 0.000473 987. 1003.
1013(47) 0.000453 987. 1005.
959(46) 0.000473 987. 1007.
1009(47) 0.000453 988. 1009.
1052(48) 0.000434 988. 1011.
1042(48) 0.000434 988. 1014.
974(46) 0.000473 988. 1019.
978(46) 0.000473 988. 1024.
1094(46) 0.000473 988. 1032.
993(44) 0.000517 988. 1044.
1080(46) 0.000473 988. 1065.
1130(47) 0.000453 988. 1102.
1148(47) 0.000453 988. 1169.
1322(51) 0.000384 988. 1286.
1436(53) 0.000356 988. 1478.
1668(57) 0.0003078 988. 1767.
2120(64) 0.0002441 988. 2153.
2592(70) 0.0002041 989. 2588.
3022(76) 0.0001731 989. 2958.
3092(77) 0.0001687 989. 3105.
2796(73) 0.0001877 989. 2913.
2374(67) 0.0002228 989. 2459.
1985(62) 0.0002601 989. 1954.
1562(55) 0.0003306 989. 1551.
1234(49) 0.000416 989. 1295.
1134(47) 0.000453 989. 1159.
1062(46) 0.000473 989. 1095.
1054(45) 0.000494 990. 1065.
989(44) 0.000517 990. 1049.
1029(45) 0.000494 990. 1039.
942(43) 0.000541 990. 1032.
978(44) 0.000517 990. 1027.
1024(45) 0.000494 990. 1023.
1008(44) 0.000517 990. 1020.
1050(45) 0.000494 990. 1017.
981(44) 0.000517 990. 1015.
1056(45) 0.000494 991. 1014.
964(44) 0.000517 991. 1013.
979(44) 0.000517 991. 1012.
998(44) 0.000517 991. 1012.
1015(45) 0.000494 991. 1012.
921(43) 0.000541 991. 1012.
952(43) 0.000541 991. 1013.
1044(45) 0.000494 991. 1013.
938(43) 0.000541 992. 1014.
948(43) 0.000541 992. 1016.
1033(45) 0.000494 992. 1018.
1005(44) 0.000517 992. 1021.
1104(46) 0.000473 992. 1026.
1066(46) 0.000473 992. 1035.
1032(45) 0.000494 992. 1050.
1101(46) 0.000473 992. 1078.
1125(47) 0.000453 993. 1126.
1123(47) 0.000453 993. 1200.
1319(51) 0.000384 993. 1303.
1404(52) 0.000370 993. 1422.
1596(55) 0.0003306 993. 1529.
1667(57) 0.0003078 993. 1580.
1625(56) 0.0003189 993. 1542.
1457(53) 0.000356 994. 1432.
1399(52) 0.000370 994. 1305.
1159(48) 0.000434 994. 1205.
1072(46) 0.000473 994. 1147.
1101(46) 0.000473 994. 1132.
1125(47) 0.000453 994. 1155.
1147(47) 0.000453 994. 1225.
1328(51) 0.000384 994. 1363.
1592(55) 0.0003306 995. 1600.
1929(61) 0.0002687 995. 1960.
2361(67) 0.0002228 995. 2431.
2952(75) 0.0001778 995. 2930.
3185(78) 0.0001644 995. 3297.
3277(79) 0.0001602 995. 3345.
3077(77) 0.0001687 995. 3011.
2498(69) 0.0002100 996. 2456.
1923(61) 0.0002687 996. 1916.
1480(53) 0.000356 996. 1520.
1296(50) 0.000400 996. 1282.
1162(48) 0.000434 996. 1160.
1070(46) 0.000473 996. 1103.
1038(45) 0.000494 996. 1075.
976(44) 0.000517 997. 1059.
1027(45) 0.000494 997. 1048.
1055(45) 0.000494 997. 1041.
1060(46) 0.000473 997. 1035.
1034(45) 0.000494 997. 1030.
1028(45) 0.000494 997. 1027.
1037(45) 0.000494 997. 1024.
976(44) 0.000517 997. 1021.
1004(44) 0.000517 998. 1019.
968(44) 0.000517 998. 1018.
999(44) 0.000517 998. 1016.
899(42) 0.000567 998. 1015.
905(42) 0.000567 998. 1014.
987(44) 0.000517 998. 1013.
1051(45) 0.000494 998. 1013.
1003(44) 0.000517 999. 1012.
936(43) 0.000541 999. 1012.
907(42) 0.000567 999. 1012.
942(43) 0.000541 999. 1011.
989(44) 0.000517 999. 1011.
989(44) 0.000517 999. 1011.
1063(46) 0.000473 999. 1011.
993(44) 0.000517 999. 1012.
964(44) 0.000517 1000. 1013.
933(43) 0.000541 1000. 1013.
966(44) 0.000517 1000. 1014.
1044(45) 0.000494 1000. 1015.
906(42) 0.000567 1000. 1015.
969(43) 0.000541 1000. 1016.
977(43) 0.000541 1000. 1017.
996(43) 0.000541 1000. 1019.
957(43) 0.000541 1001. 1021.
1000(44) 0.000517 1001. 1023.
1027(44) 0.000517 1001. 1026.
1008(44) 0.000517 1001. 1030.
1023(44) 0.000517 1001. 1036.
1065(45) 0.000494 1001. 1045.
1120(46) 0.000473 1001. 1061.
1116(46) 0.000473 1001. 1090.
1162(47) 0.000453 1002. 1146.
1173(47) 0.000453 1002. 1244.
1334(50) 0.000400 1002. 1399.
1481(53) 0.000356 1002. 1610.
1774(58) 0.0002973 1002. 1844.
2058(62) 0.0002601 1002. 2028.
2046(62) 0.0002601 1002. 2078.
1920(60) 0.0002778 1002. 1950.
1671(56) 0.0003189 1002. 1709.
1463(53) 0.000356 1003. 1465.
1327(50) 0.000400 1003. 1281.
1206(48) 0.000434 1003. 1172.
1112(46) 0.000473 1003. 1126.
1147(47) 0.000453 1003. 1123.
1191(47) 0.000453 1003. 1157.
1134(46) 0.000473 1003. 1223.
1354(51) 0.000384 1003. 1317.
1455(52) 0.000370 1003. 1421.
1585(55) 0.0003306 1003. 1499.
1646(56) 0.0003189 1004. 1512.
1481(53) 0.000356 1004. 1444.
1314(50) 0.000400 1004. 1330.
1223(48) 0.000434 1004. 1219.
1149(47) 0.000453 1004. 1137.
1045(45) 0.000494 1004. 1088.
1034(44) 0.000517 1004. 1064.
1078(45) 0.000494 1004. 1054.
997(43) 0.000541 1004. 1051.
1048(45) 0.000494 1004. 1054.
1049(45) 0.000494 1005. 1061.
1022(44) 0.000517 1005. 1077.
1075(45) 0.000494 1005. 1111.
1095(46) 0.000473 1005. 1176.
1202(48) 0.000434 1005. 1287.
1418(52) 0.000370 1005. 1453.
1649(56) 0.0003189 1005. 1662.
1857(59) 0.0002873 1005. 1865.
2001(61) 0.0002687 1005. 1983.
1928(60) 0.0002778 1005. 1947.
1743(57) 0.0003078 1005. 1766.
1593(55) 0.0003306 1006. 1533.
1377(51) 0.000384 1006. 1331.
1175(47) 0.000453 1006. 1193.
1068(45) 0.000494 1006. 1114.
990(43) 0.000541 1006. 1074.
1021(44) 0.000517 1006. 1056.
1029(44) 0.000517 1006. 1046.
987(43) 0.000541 1006. 1041.
1014(44) 0.000517 1006. 1038.
989(43) 0.000541 1006. 1035.
997(44) 0.000517 1006. 1034.
923(42) 0.000567 1006. 1033.
930(42) 0.000567 1006. 1033.
941(42) 0.000567 1007. 1034.
966(43) 0.000541 1007. 1035.
1011(44) 0.000517 1007. 1038.
947(42) 0.000567 1007. 1041.
1018(44) 0.000517 1007. 1045.
1039(44) 0.000517 1007. 1052.
1009(44) 0.000517 1007. 1063.
1056(45) 0.000494 1007. 1086.
1060(45) 0.000494 1007. 1130.
1150(47) 0.000453 1007. 1213.
1287(49) 0.000416 1007. 1358.
1598(55) 0.0003306 1007. 1575.
1926(60) 0.0002778 1007. 1850.
2208(64) 0.0002441 1007. 2118.
2410(67) 0.0002228 1007. 2275.
2298(66) 0.0002296 1007. 2230.
2081(63) 0.0002520 1007. 1996.
1759(58) 0.0002973 1008. 1693.
1382(51) 0.000384 1008. 1429.
1234(48) 0.000434 1008. 1247.
1139(46) 0.000473 1008. 1142.
1100(46) 0.000473 1008. 1089.
1020(44) 0.000517 1008. 1063.
964(43) 0.000541 1008. 1050.
1049(45) 0.000494 1008. 1042.
987(43) 0.000541 1008. 1036.
1055(45) 0.000494 1008. 1032.
969(43) 0.000541 1008. 1029.
990(43) 0.000541 1008. 1029.
1037(44) 0.000517 1008. 1027.
1018(44) 0.000517 1008. 1026.
982(43) 0.000541 1008. 1025.
977(43) 0.000541 1008. 1024.
930(42) 0.000567 1008. 1023.
1048(45) 0.000494 1008. 1022.
1076(43) 0.000541 1008. 1022.
1009(42) 0.000567 1008. 1021.
1041(43) 0.000541 1008. 1020.
1025(42) 0.000567 1008. 1020.
1047(43) 0.000541 1008. 1020.
1048(43) 0.000541 1008. 1020.
1097(44) 0.000517 1008. 1020.
1071(43) 0.000541 1008. 1020.
1006(42) 0.000567 1008. 1021.
1048(43) 0.000541 1008. 1022.
1018(42) 0.000567 1009. 1023.
1045(43) 0.000541 1009. 1025.
1071(43) 0.000541 1009. 1027.
1053(43) 0.000541 1009. 1032.
1083(43) 0.000541 1009. 1040.
1067(43) 0.000541 1009. 1054.
1100(44) 0.000517 1009. 1075.
1081(43) 0.000541 1009. 1101.
1257(47) 0.000453 1009. 1126.
1216(46) 0.000473 1009. 1140.
1233(46) 0.000473 1009. 1136.
1224(46) 0.000473 1009. 1114.
1205(46) 0.000473 1009. 1088.
1188(45) 0.000494 1009. 1066.
1090(44) 0.000517 1009. 1051.
1169(45) 0.000494 1009. 1044.
1064(43) 0.000541 1009. 1042.
976(41) 0.000595 1009. 1043.
1103(44) 0.000517 1009. 1045.
1147(45) 0.000494 1009. 1049.
1070(43) 0.000541 1009. 1056.
1033(42) 0.000567 1009. 1066.
1095(44) 0.000517 1009. 1080.
1092(44) 0.000517 1009. 1099.
1082(43) 0.000541 1009. 1121.
1114(44) 0.000517 1009. 1140.
1203(46) 0.000473 1009. 1154.
1194(46) 0.000473 1009. 1163.
1217(46) 0.000473 1009. 1177.
1221(46) 0.000473 1009. 1215.
1371(49) 0.000416 1009. 1304.
1518(51) 0.000384 1009. 1488.
1805(56) 0.0003189 1009. 1819.
2442(65) 0.0002367 1009. 2334.
3050(73) 0.0001877 1009. 3000.
3672(80) 0.0001562 1009. 3675.
4046(84) 0.0001417 1009. 4111.
3978(83) 0.0001452 1009. 4066.
3476(78) 0.0001644 1009. 3541.
2778(69) 0.0002100 1008. 2812.
2188(62) 0.0002601 1008. 2152.
1825(56) 0.0003189 1008. 1682.
1525(51) 0.000384 1008. 1403.
1313(48) 0.000434 1008. 1261.
1252(47) 0.000453 1008. 1199.
1226(46) 0.000473 1008. 1180.
1184(45) 0.000494 1008. 1194.
1249(47) 0.000453 1008. 1246.
1370(49) 0.000416 1008. 1352.
1548(52) 0.000370 1008. 1517.
1781(56) 0.0003189 1008. 1725.
1999(59) 0.0002873 1008. 1923.
2112(61) 0.0002687 1008. 2027.
1966(59) 0.0002873 1008. 1972.
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1378(49) 0.000416 1008. 1352.
1188(45) 0.000494 1008. 1216.
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1102(44) 0.000517 1008. 1074.
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998(42) 0.000567 1008. 1050.
1100(44) 0.000517 1008. 1049.
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1031(42) 0.000567 1008. 1051.
1019(42) 0.000567 1007. 1054.
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1126(44) 0.000517 1007. 1127.
1258(47) 0.000453 1007. 1201.
1335(48) 0.000434 1007. 1325.
1537(52) 0.000370 1007. 1502.
1783(56) 0.0003189 1007. 1709.
1963(58) 0.0002973 1007. 1886.
1950(58) 0.0002973 1007. 1954.
1957(58) 0.0002973 1007. 1867.
1714(55) 0.0003306 1007. 1671.
1454(50) 0.000400 1007. 1457.
1282(47) 0.000453 1007. 1284.
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1077(43) 0.000541 1007. 1104.
1028(42) 0.000567 1007. 1071.
989(41) 0.000595 1006. 1054.
1039(42) 0.000567 1006. 1045.
1078(43) 0.000541 1006. 1039.
1055(43) 0.000541 1006. 1032.
1045(34) 0.000865 1006.2 1029.1
1001(39) 0.000657 1006. 1027.
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1033(39) 0.000657 1006. 1023.
1062(40) 0.000625 1006. 1022.
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1021(39) 0.000657 1005. 1022.
1018(39) 0.000657 1005. 1024.
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1010(39) 0.000657 1005. 1034.
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1010(39) 0.000657 1004. 1041.
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1004(39) 0.000657 1004. 1051.
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1106(41) 0.000595 1004. 1090.
1154(42) 0.000567 1004. 1127.
1248(43) 0.000541 1004. 1200.
1385(46) 0.000473 1004. 1336.
1575(48) 0.000434 1004. 1562.
1925(53) 0.000356 1003. 1891.
2380(59) 0.0002873 1003. 2283.
2632(63) 0.0002520 1003. 2632.
2746(64) 0.0002441 1003. 2796.
2657(63) 0.0002520 1003. 2673.
2300(58) 0.0002973 1003. 2323.
1847(52) 0.000370 1003. 1915.
1546(48) 0.000434 1003. 1572.
1349(45) 0.000494 1003. 1336.
1243(43) 0.000541 1003. 1197.
1082(40) 0.000625 1002. 1124.
1078(40) 0.000625 1002. 1087.
1041(40) 0.000625 1002. 1067.
997(39) 0.000657 1002. 1055.
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1068(40) 0.000625 1002. 1040.
1057(40) 0.000625 1002. 1035.
1042(40) 0.000625 1002. 1031.
1054(40) 0.000625 1002. 1029.
1011(39) 0.000657 1002. 1027.
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1088(40) 0.000625 1001. 1022.
1027(39) 0.000657 1001. 1020.
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1055(40) 0.000625 1001. 1017.
1032(39) 0.000657 1001. 1015.
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1040(40) 0.000625 1000. 1014.
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1016(39) 0.000657 1000. 1015.
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1034(37) 0.000730 995. 1038.
1025(37) 0.000730 994. 1029.
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1006(37) 0.000730 994. 1019.
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1061(37) 0.000730 994. 1016.
1074(38) 0.000693 994. 1016.
1080(38) 0.000693 993. 1016.
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1008(37) 0.000730 993. 1016.
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1047(37) 0.000730 992. 1054.
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1100(38) 0.000693 992. 1105.
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1418(43) 0.000541 990. 1376.
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1842(49) 0.000416 989. 1743.
2064(52) 0.000370 989. 1958.
2222(54) 0.0003429 989. 2182.
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1590(46) 0.000473 988. 1566.
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1203(40) 0.000625 987. 1207.
1091(38) 0.000693 987. 1131.
1028(37) 0.000730 987. 1091.
1026(37) 0.000730 987. 1069.
1063(38) 0.000693 987. 1056.
1024(37) 0.000730 987. 1047.
1003(36) 0.000772 986. 1042.
1028(37) 0.000730 986. 1039.
1035(37) 0.000730 986. 1040.
1084(38) 0.000693 986. 1041.
1055(37) 0.000730 986. 1042.
1086(38) 0.000693 986. 1040.
1029(37) 0.000730 985. 1035.
1040(37) 0.000730 985. 1028.
974(36) 0.000772 985. 1021.
1018(37) 0.000730 985. 1015.
1047(37) 0.000730 985. 1011.
989(36) 0.000772 985. 1009.
996(36) 0.000772 984. 1008.
956(36) 0.000772 984. 1007.
981(36) 0.000772 984. 1007.
955(36) 0.000772 984. 1008.
1012(37) 0.000730 984. 1009.
1020(37) 0.000730 984. 1013.
1023(37) 0.000730 983. 1019.
1028(37) 0.000730 983. 1031.
994(36) 0.000772 983. 1053.
1067(38) 0.000693 983. 1092.
1120(38) 0.000693 983. 1150.
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1026(37) 0.000730 981. 1053.
967(36) 0.000772 981. 1029.
936(35) 0.000816 980.9 1016.6
908(35) 0.000816 980.7 1010.1
920(35) 0.000816 980.5 1006.8
1015(37) 0.000730 980. 1005.
1009(37) 0.000730 980. 1004.
1010(34) 0.000865 980.0 1004.5
956(33) 0.000918 979.8 1005.4
970(34) 0.000865 979.6 1007.2
997(34) 0.000865 979.5 1010.5
990(34) 0.000865 979.3 1016.5
1004(34) 0.000865 979.1 1028.2
1039(35) 0.000816 978.9 1049.9
1098(36) 0.000772 979. 1090.
1142(36) 0.000772 979. 1155.
1200(37) 0.000730 978. 1249.
1358(40) 0.000625 978. 1361.
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1490(42) 0.000567 978. 1516.
1404(40) 0.000625 977. 1429.
1312(39) 0.000657 977. 1313.
1215(38) 0.000693 977. 1204.
1104(36) 0.000772 977. 1121.
1053(35) 0.000816 976.7 1066.4
993(34) 0.000865 976.6 1034.5
976(34) 0.000865 976.4 1017.4
1011(34) 0.000865 976.2 1008.5
1026(35) 0.000816 976.0 1003.9
1002(34) 0.000865 975.8 1001.7
1004(34) 0.000865 975.6 1001.3
1000(34) 0.000865 975.5 1002.9
1004(34) 0.000865 975.3 1007.0
1005(34) 0.000865 975.1 1014.3
1023(35) 0.000816 974.9 1025.3
1096(36) 0.000772 975. 1040.
1065(35) 0.000816 974.5 1056.0
1116(36) 0.000772 974. 1070.
1165(37) 0.000730 974. 1075.
1091(36) 0.000772 974. 1067.
1038(35) 0.000816 973.8 1050.1
1038(35) 0.000816 973.6 1031.8
1056(35) 0.000816 973.4 1016.4
1025(35) 0.000816 973.2 1005.8
1014(34) 0.000865 973.0 999.7
996(34) 0.000865 972.8 997.2
1008(34) 0.000865 972.7 997.4
986(34) 0.000865 972.5 1000.6
962(33) 0.000918 972.3 1006.9
1016(34) 0.000865 972.1 1018.0
1053(35) 0.000816 971.9 1035.7
1065(35) 0.000816 971.7 1061.7
1082(36) 0.000772 972. 1097.
1131(36) 0.000772 971. 1141.
1173(37) 0.000730 971. 1189.
1272(38) 0.000693 971. 1240.
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1310(39) 0.000657 970. 1289.
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1190(37) 0.000730 970. 1170.
1110(36) 0.000772 970. 1131.
1088(36) 0.000772 969. 1113.
1086(36) 0.000772 969. 1112.
1044(35) 0.000816 969.0 1118.6
1023(35) 0.000816 968.8 1124.0
1055(35) 0.000816 968.6 1125.4
1096(36) 0.000772 968. 1134.
1106(36) 0.000772 968. 1161.
1137(36) 0.000772 968. 1212.
1228(38) 0.000693 968. 1282.
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1415(41) 0.000595 967. 1387.
1366(40) 0.000625 967. 1368.
1310(39) 0.000657 967. 1301.
1229(38) 0.000693 967. 1218.
1165(37) 0.000730 967. 1142.
1084(36) 0.000772 966. 1086.
1024(35) 0.000816 966.3 1052.2
1024(35) 0.000816 966.1 1038.4
1018(34) 0.000865 965.9 1039.9
1000(34) 0.000865 965.7 1052.3
1031(35) 0.000816 965.5 1070.6
1045(35) 0.000816 965.3 1087.6
1074(35) 0.000816 965.1 1094.8
1043(35) 0.000816 964.9 1087.0
1027(35) 0.000816 964.7 1068.3
1009(34) 0.000865 964.5 1047.1
982(34) 0.000865 964.3 1029.9
1040(35) 0.000816 964.1 1020.7
1035(35) 0.000816 963.9 1021.5
1001(34) 0.000865 963.7 1033.1
1042(35) 0.000816 963.5 1055.1
1072(35) 0.000816 963.3 1084.6
1132(36) 0.000772 963. 1115.
1143(36) 0.000772 963. 1136.
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1128(36) 0.000772 963. 1115.
1097(36) 0.000772 962. 1084.
1126(36) 0.000772 962. 1054.
1075(35) 0.000816 961.9 1030.3
986(34) 0.000865 961.7 1014.9
968(34) 0.000865 961.5 1007.3
1009(34) 0.000865 961.3 1006.6
1004(34) 0.000865 961.1 1012.3
1021(33) 0.000918 960.9 1025.9
1128(34) 0.000865 960.7 1049.7
1129(34) 0.000865 960.5 1086.2
1202(35) 0.000816 960.3 1136.6
1271(36) 0.000772 960. 1199.
1332(37) 0.000730 960. 1266.
1410(38) 0.000693 960. 1328.
1470(39) 0.000657 959. 1380.
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1383(38) 0.000693 959. 1404.
1341(37) 0.000730 959. 1335.
1297(37) 0.000730 958. 1249.
1165(35) 0.000816 958.3 1169.5
1120(34) 0.000865 958.1 1107.9
1108(34) 0.000865 957.8 1066.7
1045(33) 0.000918 957.6 1043.0
1044(33) 0.000918 957.4 1032.4
1053(33) 0.000918 957.2 1030.7
1026(33) 0.000918 957.0 1036.4
1051(33) 0.000918 956.8 1050.9
1046(33) 0.000918 956.6 1080.9
1128(34) 0.000865 956.4 1136.8
1231(36) 0.000772 956. 1233.
1395(38) 0.000693 956. 1380.
1603(41) 0.000595 956. 1580.
1858(44) 0.000517 956. 1812.
2143(47) 0.000453 955. 2023.
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1541(40) 0.000625 954. 1449.
1421(38) 0.000693 954. 1390.
1310(37) 0.000730 954. 1362.
1372(38) 0.000693 954. 1333.
1287(37) 0.000730 953. 1289.
1211(36) 0.000772 953. 1239.
1173(35) 0.000816 952.9 1196.3
1161(35) 0.000816 952.7 1170.5
1164(35) 0.000816 952.5 1160.7
1167(35) 0.000816 952.3 1157.9
1206(36) 0.000772 952. 1149.
1151(35) 0.000816 951.8 1126.0
1070(33) 0.000918 951.6 1093.8
1065(33) 0.000918 951.4 1060.5
1062(33) 0.000918 951.2 1031.8
1006(33) 0.000918 951.0 1010.1
990(32) 0.000977 950.8 995.4
953(32) 0.000977 950.6 986.2
944(32) 0.000977 950.4 980.6
967(32) 0.000977 950.2 977.1
926(31) 0.001041 949.9 974.7
967(32) 0.000977 949.7 973.1
978(32) 0.000977 949.5 971.9
934(31) 0.001041 949.3 971.0
950(32) 0.000977 949.1 970.4
919(31) 0.001041 948.9 970.0
965(32) 0.000977 948.7 969.8
1002(32) 0.000977 948.5 969.9
969(32) 0.000977 948.3 970.2
922(31) 0.001041 948.0 970.8
1021(33) 0.000918 947.8 971.7
993(32) 0.000977 947.6 972.9
966(32) 0.000977 947.4 974.5
935(31) 0.001041 947.2 976.6
982(32) 0.000977 947.0 979.5
1004(32) 0.000977 946.8 983.2
968(32) 0.000977 946.6 988.6
949(32) 0.000977 946.3 997.0
999(32) 0.000977 946.1 1011.1
1005(32) 0.000977 945.9 1036.1
1056(33) 0.000918 945.7 1080.3
1120(34) 0.000865 945.5 1152.5
1225(36) 0.000772 945. 1261.
1459(39) 0.000657 945. 1405.
1608(41) 0.000595 945. 1571.
1699(42) 0.000567 945. 1722.
1798(43) 0.000541 944. 1806.
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1509(40) 0.000625 944. 1499.
1361(38) 0.000693 944. 1342.
1233(36) 0.000772 943. 1215.
1126(34) 0.000865 943.1 1125.9
1026(33) 0.000918 942.9 1070.6
1018(33) 0.000918 942.7 1040.6
1026(33) 0.000918 942.5 1027.8
1021(33) 0.000918 942.3 1027.6
975(32) 0.000977 942.1 1040.0
1030(33) 0.000918 941.9 1067.9
1046(33) 0.000918 941.6 1117.2
1160(35) 0.000816 941.4 1193.0
1284(37) 0.000730 941. 1297.
1398(38) 0.000693 941. 1418.
1469(39) 0.000657 941. 1537.
1597(41) 0.000595 941. 1619.
1596(41) 0.000595 940. 1642.
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1528(39) 0.000657 940. 1539.
1390(37) 0.000730 940. 1450.
1344(36) 0.000772 939. 1348.
1207(34) 0.000865 939.3 1246.9
1057(32) 0.000977 939.1 1159.9
1054(32) 0.000977 938.8 1092.8
1071(32) 0.000977 938.6 1045.1
997(31) 0.001041 938.4 1014.4
979(31) 0.001041 938.2 994.5
975(31) 0.001041 938.0 982.4
995(31) 0.001041 937.8 974.8
1017(31) 0.001041 937.5 969.7
965(31) 0.001041 937.3 966.2
986(31) 0.001041 937.1 963.5
942(30) 0.001111 936.9 961.5
938(30) 0.001111 936.7 959.8
971(31) 0.001041 936.5 958.5
989(31) 0.001041 936.2 957.5
930(30) 0.001111 936.0 956.9
983(31) 0.001041 935.8 956.6
973(31) 0.001041 935.6 956.7
963(31) 0.001041 935.4 957.4
988(31) 0.001041 935.2 958.6
990(31) 0.001041 935.0 960.3
969(31) 0.001041 934.7 962.2
970(31) 0.001041 934.5 963.9
952(30) 0.001111 934.3 965.2
954(30) 0.001111 934.1 966.2
971(31) 0.001041 933.9 968.2
976(31) 0.001041 933.6 972.1
985(31) 0.001041 933.4 980.0
970(31) 0.001041 933.2 993.6
961(31) 0.001041 933.0 1013.7
1084(32) 0.000977 932.8 1039.8
1133(33) 0.000918 932.6 1068.8
1153(33) 0.000918 932.3 1094.5
1175(34) 0.000865 932.1 1108.7
1187(34) 0.000865 931.9 1106.4
1115(33) 0.000918 931.7 1091.5
1165(34) 0.000865 931.5 1073.1
1113(33) 0.000918 931.3 1058.5
1120(33) 0.000918 931.0 1053.1
1090(33) 0.000918 930.8 1054.9
1120(33) 0.000918 930.6 1064.7
1119(33) 0.000918 930.4 1083.0
1089(33) 0.000918 930.2 1112.6
1200(34) 0.000865 930.0 1156.8
1251(35) 0.000816 929.7 1214.7
1274(35) 0.000816 929.5 1277.5
1335(36) 0.000772 929. 1330.
1391(37) 0.000730 929. 1352.
1363(36) 0.000772 929. 1333.
1328(36) 0.000772 929. 1285.
1204(34) 0.000865 928.4 1224.5
1193(34) 0.000865 928.2 1165.3
1101(33) 0.000918 928.0 1114.9
1019(31) 0.001041 927.8 1077.5
1008(31) 0.001041 927.6 1054.9
992(31) 0.001041 927.3 1045.1
1034(32) 0.000977 927.1 1048.5
1094(33) 0.000918 926.9 1066.8
1122(33) 0.000918 926.7 1104.3
1168(34) 0.000865 926.5 1167.3
1248(35) 0.000816 926.3 1262.5
1404(37) 0.000730 926. 1394.
1591(39) 0.000657 926. 1561.
1792(42) 0.000567 926. 1749.
1946(44) 0.000517 925. 1933.
2043(45) 0.000494 925. 2086.
2205(46) 0.000473 925. 2192.
2184(46) 0.000473 925. 2231.
2131(46) 0.000473 925. 2177.
2019(44) 0.000517 924. 2034.
1785(42) 0.000567 924. 1848.
1686(41) 0.000595 924. 1670.
1535(39) 0.000657 924. 1532.
1447(38) 0.000693 923. 1446.
1342(36) 0.000772 923. 1411.
1299(36) 0.000772 923. 1422.
1414(37) 0.000730 923. 1476.
1554(39) 0.000657 923. 1577.
1721(41) 0.000595 922. 1720.
1899(43) 0.000541 922. 1885.
2064(45) 0.000494 922. 2028.
2186(46) 0.000473 922. 2091.
2091(45) 0.000494 921. 2035.
1899(43) 0.000541 921. 1879.
1716(41) 0.000595 921. 1678.
1461(38) 0.000693 921. 1482.
1354(36) 0.000772 921. 1318.
1210(34) 0.000865 920.4 1196.3
1107(33) 0.000918 920.2 1114.7
1041(32) 0.000977 920.0 1064.5
1078(32) 0.000977 919.7 1035.4
1043(32) 0.000977 919.5 1019.6
1004(31) 0.001041 919.3 1011.8
1008(31) 0.001041 919.1 1009.9
967(31) 0.001041 918.9 1013.8
971(31) 0.001041 918.7 1024.7
1069(32) 0.000977 918.4 1044.8
1063(31) 0.001041 918.2 1075.7
1121(32) 0.000977 918.0 1117.1
1171(32) 0.000977 917.8 1165.7
1218(33) 0.000918 917.6 1213.7
1191(33) 0.000918 917.4 1248.6
1159(32) 0.000977 917.1 1258.1
1168(32) 0.000977 916.9 1240.8
1260(34) 0.000865 916.7 1208.5
1209(33) 0.000918 916.5 1177.1
1176(33) 0.000918 916.3 1160.9
1118(32) 0.000977 916.1 1172.8
1178(33) 0.000918 915.9 1225.8
1312(34) 0.000865 915.6 1332.5
1515(37) 0.000730 915. 1502.
1739(40) 0.000625 915. 1736.
2035(43) 0.000541 915. 2017.
2289(46) 0.000473 915. 2305.
2503(48) 0.000434 915. 2531.
2584(48) 0.000434 914. 2617.
2476(47) 0.000453 914. 2529.
2293(46) 0.000473 914. 2314.
2069(43) 0.000541 914. 2045.
1779(40) 0.000625 913. 1779.
1552(37) 0.000730 913. 1550.
1369(35) 0.000816 913.1 1376.4
1221(33) 0.000918 912.8 1260.3
1151(32) 0.000977 912.6 1197.0
1168(32) 0.000977 912.4 1180.5
1153(32) 0.000977 912.2 1209.1
1269(34) 0.000865 912.0 1282.5
1398(36) 0.000772 912. 1400.
1569(38) 0.000693 912. 1555.
1706(39) 0.000657 911. 1727.
1877(41) 0.000595 911. 1882.
1966(42) 0.000567 911. 1970.
1980(42) 0.000567 911. 1954.
1874(41) 0.000595 910. 1838.
1712(39) 0.000657 910. 1668.
1592(38) 0.000693 910. 1490.
1341(35) 0.000816 909.8 1334.4
1222(33) 0.000918 909.6 1215.1
1170(32) 0.000977 909.4 1134.4
1059(31) 0.001041 909.2 1086.7
1115(32) 0.000977 909.0 1063.7
1030(30) 0.001111 908.8 1057.3
1103(32) 0.000977 908.6 1062.9
1048(31) 0.001041 908.4 1077.7
1134(32) 0.000977 908.1 1101.7
1154(32) 0.000977 907.9 1132.8
1191(33) 0.000918 907.7 1168.0
1197(33) 0.000918 907.5 1197.6
1198(33) 0.000918 907.3 1208.7
1184(33) 0.000918 907.1 1193.8
1162(32) 0.000977 906.9 1156.8
1094(31) 0.001041 906.7 1109.3
1046(31) 0.001041 906.5 1061.8
999(30) 0.001111 906.2 1021.1
967(29) 0.001189 906.0 989.5
951(29) 0.001189 905.8 967.2
946(29) 0.001189 905.6 952.4
962(29) 0.001189 905.4 943.1
972(30) 0.001111 905.2 936.5
948(29) 0.001189 905.0 933.1
916(29) 0.001189 904.8 931.0
909(29) 0.001189 904.6 930.2
909(29) 0.001189 904.3 930.5
936(29) 0.001189 904.1 932.0
920(29) 0.001189 903.9 934.7
927(29) 0.001189 903.7 938.2
967(29) 0.001189 903.5 942.0
965(29) 0.001189 903.3 944.9
953(29) 0.001189 903.1 945.6
952(29) 0.001189 902.9 943.6
908(29) 0.001189 902.7 939.5
931(29) 0.001189 902.5 934.5
925(29) 0.001189 902.3 929.9
953(29) 0.001189 902.0 926.4
979(30) 0.001111 901.8 924.6
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978(30) 0.001111 901.4 927.0
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959(29) 0.001189 901.0 935.7
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950(29) 0.001189 899.6 940.9
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851(28) 0.001276 898.7 920.2
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900(28) 0.001276 898.1 913.2
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936(29) 0.001189 897.7 913.5
927(29) 0.001189 897.5 914.4
953(29) 0.001189 897.3 916.1
912(40) 0.000625 897. 918.
924(28) 0.001276 896.9 920.7
922(28) 0.001276 896.7 923.3
890(27) 0.001372 896.5 925.8
919(28) 0.001276 896.3 927.9
935(28) 0.001276 896.1 929.9
946(28) 0.001276 895.9 933.1
918(28) 0.001276 895.7 938.9
916(28) 0.001276 895.5 949.7
932(28) 0.001276 895.3 968.1
960(28) 0.001276 895.1 996.7
1074(30) 0.001111 894.9 1036.7
1160(31) 0.001041 894.7 1089.3
1157(31) 0.001041 894.5 1150.5
1217(32) 0.000977 894.3 1211.9
1273(33) 0.000918 894.1 1260.6
1287(33) 0.000918 893.9 1281.1
1301(33) 0.000918 893.7 1265.6
1254(32) 0.000977 893.5 1220.6
1135(31) 0.001041 893.3 1161.5
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1028(29) 0.001189 892.7 1011.6
1036(30) 0.001111 892.5 985.2
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970(29) 0.001189 892.1 961.6
943(28) 0.001276 891.9 959.0
937(28) 0.001276 891.7 960.5
933(28) 0.001276 891.5 966.3
942(28) 0.001276 891.3 978.1
1011(29) 0.001189 891.1 997.8
1021(29) 0.001189 890.9 1026.2
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1121(31) 0.001041 890.5 1105.1
1138(31) 0.001041 890.3 1147.1
1183(32) 0.000977 890.1 1180.7
1208(32) 0.000977 889.9 1198.9
1210(32) 0.000977 889.7 1201.5
1199(32) 0.000977 889.5 1195.6
1173(31) 0.001041 889.3 1189.3
1138(31) 0.001041 889.1 1186.7
1148(31) 0.001041 888.9 1186.3
1160(31) 0.001041 888.7 1183.0
1168(31) 0.001041 888.5 1173.6
1142(31) 0.001041 888.3 1160.0
1138(31) 0.001041 888.1 1146.7
1123(31) 0.001041 887.9 1135.9
1133(31) 0.001041 887.7 1126.4
1088(30) 0.001111 887.5 1114.0
1082(30) 0.001111 887.3 1095.1
1062(30) 0.001111 887.2 1070.5
1058(30) 0.001111 887.0 1044.2
1045(30) 0.001111 886.8 1020.6
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968(29) 0.001189 886.4 993.9
991(29) 0.001189 886.2 995.8
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1112(31) 0.001041 885.6 1098.3
1203(32) 0.000977 885.4 1175.5
1309(33) 0.000918 885.2 1275.8
1423(35) 0.000816 885.0 1393.7
1554(36) 0.000772 885. 1517.
1681(37) 0.000730 885. 1624.
1696(38) 0.000693 884. 1690.
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1566(36) 0.000772 884. 1581.
1491(35) 0.000816 883.7 1478.0
1375(34) 0.000865 883.5 1366.5
1283(33) 0.000918 883.3 1261.3
1187(32) 0.000977 883.1 1173.5
1092(30) 0.001111 883.0 1108.3
1064(30) 0.001111 882.8 1066.6
1086(30) 0.001111 882.6 1046.6
1097(30) 0.001111 882.4 1045.1
1063(30) 0.001111 882.2 1057.3
1060(30) 0.001111 882.0 1077.7
1078(30) 0.001111 881.8 1099.0
1078(30) 0.001111 881.6 1113.4
1124(31) 0.001041 881.5 1113.9
1120(31) 0.001041 881.3 1099.6
1100(30) 0.001111 881.1 1075.6
1052(30) 0.001111 880.9 1049.5
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1037(30) 0.001111 880.0 1004.7
991(29) 0.001189 879.8 1004.8
973(29) 0.001189 879.6 999.7
951(28) 0.001276 879.4 988.5
969(29) 0.001189 879.3 973.5
958(28) 0.001276 879.1 957.5
959(28) 0.001276 878.9 942.7
927(28) 0.001276 878.7 930.3
924(28) 0.001276 878.5 920.8
897(28) 0.001276 878.3 914.2
934(28) 0.001276 878.2 909.9
950(28) 0.001276 878.0 907.5
913(28) 0.001276 877.8 906.6
916(28) 0.001276 877.6 906.7
904(28) 0.001276 877.4 907.6
917(28) 0.001276 877.3 910.3
975(29) 0.001189 877.1 914.9
967(29) 0.001189 876.9 922.7
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1101(31) 0.001041 875.8 1111.6
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1207(32) 0.000977 875.0 1199.3
1152(31) 0.001041 874.8 1159.6
1156(31) 0.001041 874.6 1118.7
1102(31) 0.001041 874.4 1086.3
1133(31) 0.001041 874.3 1068.9
1105(31) 0.001041 874.1 1069.7
1172(32) 0.000977 873.9 1088.3
1126(31) 0.001041 873.7 1121.9
1188(32) 0.000977 873.6 1163.6
1221(32) 0.000977 873.4 1203.7
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1222(32) 0.000977 873.0 1233.4
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1194(32) 0.000977 872.7 1169.0
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1015(29) 0.001189 872.2 1021.4
967(29) 0.001189 872.0 983.2
928(28) 0.001276 871.8 953.7
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892(28) 0.001276 869.5 887.9
892(28) 0.001276 869.3 888.5
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1023(29) 0.001189 867.2 997.7
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930(28) 0.001276 866.9 979.9
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1046(30) 0.001111 865.8 1054.7
1090(30) 0.001111 865.6 1069.5
1068(30) 0.001111 865.4 1071.9
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890(28) 0.001276 864.2 911.4
926(28) 0.001276 864.0 905.2
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1356(34) 0.000865 861.0 1368.2
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1354(34) 0.000865 858.5 1375.0
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1476(35) 0.000816 858.1 1540.8
1479(35) 0.000816 857.9 1518.5
1433(35) 0.000816 857.8 1462.0
1387(34) 0.000865 857.6 1388.6
1320(33) 0.000918 857.5 1315.1
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1194(32) 0.000977 857.2 1211.5
1194(32) 0.000977 857.1 1191.6
1247(32) 0.000977 856.9 1193.2
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1092(30) 0.001111 855.4 1061.5
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964(29) 0.001189 855.1 995.9
981(29) 0.001189 855.0 979.5
1010(29) 0.001189 854.8 974.0
1015(29) 0.001189 854.7 978.7
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1020(29) 0.001189 854.4 1013.9
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1066(30) 0.001111 854.2 1068.1
1073(30) 0.001111 854.0 1094.1
1135(31) 0.001041 853.9 1113.6
1149(31) 0.001041 853.8 1124.5
1146(31) 0.001041 853.6 1127.7
1164(31) 0.001041 853.5 1126.3
1147(31) 0.001041 853.4 1122.9
1087(30) 0.001111 853.2 1118.0
1124(31) 0.001041 853.1 1110.7
1096(30) 0.001111 853.0 1100.1
1082(30) 0.001111 852.8 1086.7
1028(30) 0.001111 852.7 1072.2
1081(30) 0.001111 852.6 1057.7
1074(30) 0.001111 852.4 1043.1
1042(30) 0.001111 852.3 1027.4
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1381(32) 0.000977 871.8 1369.7
1335(32) 0.000977 872.2 1367.7
1340(32) 0.000977 872.6 1364.9
1340(32) 0.000977 872.9 1361.3
1305(32) 0.000977 873.3 1356.9
1338(32) 0.000977 873.7 1351.7
1357(32) 0.000977 874.1 1345.6
1343(32) 0.000977 874.6 1338.7
1310(32) 0.000977 875.0 1330.9
1224(31) 0.001041 875.4 1322.3
1290(31) 0.001041 875.8 1312.9
1295(31) 0.001041 876.3 1302.7
1246(31) 0.001041 876.7 1291.9
1264(31) 0.001041 877.2 1280.4
1225(31) 0.001041 877.6 1268.5
1286(31) 0.001041 878.1 1256.1
1264(31) 0.001041 878.6 1243.5
1275(31) 0.001041 879.1 1230.6
1254(31) 0.001041 879.5 1217.7
1236(31) 0.001041 880.0 1204.8
1197(30) 0.001111 880.5 1192.0
1163(30) 0.001111 881.0 1179.4
1140(30) 0.001111 881.6 1167.2
1236(31) 0.001041 882.1 1155.3
1205(30) 0.001111 882.6 1143.8
1158(30) 0.001111 883.1 1132.9
1155(30) 0.001111 883.7 1122.4
1125(29) 0.001189 884.2 1112.6
1160(30) 0.001111 884.8 1103.4
1146(30) 0.001111 885.4 1094.9
1142(30) 0.001111 886.0 1087.0
1158(30) 0.001111 886.5 1079.8
1141(30) 0.001111 887.1 1073.3
1085(29) 0.001189 887.7 1067.5
1062(28) 0.001276 888.3 1062.4
1042(28) 0.001276 889.0 1057.9
1069(29) 0.001189 889.6 1054.2
1101(29) 0.001189 890.2 1051.1
1075(29) 0.001189 890.9 1048.6
1047(28) 0.001276 891.5 1046.7
1039(28) 0.001276 892.2 1045.5
1024(28) 0.001276 892.9 1044.7
1063(28) 0.001276 893.5 1044.5
1077(29) 0.001189 894.2 1044.8
1039(28) 0.001276 894.9 1045.6
1047(28) 0.001276 895.6 1046.7
1029(28) 0.001276 896.4 1048.3
1053(28) 0.001276 897.1 1050.2
1083(29) 0.001189 897.8 1052.5
1071(29) 0.001189 898.6 1055.0
1070(29) 0.001189 899.4 1057.8
1067(29) 0.001189 900.1 1060.8
1062(28) 0.001276 900.9 1064.1
1083(29) 0.001189 901.7 1067.5
1104(29) 0.001189 902.5 1071.1
1072(29) 0.001189 903.3 1074.8
1064(28) 0.001276 904.1 1078.6
1089(29) 0.001189 905.0 1082.4
1112(29) 0.001189 905.8 1086.4
1089(29) 0.001189 906.7 1090.3
1086(29) 0.001189 907.6 1094.3
1087(29) 0.001189 908.5 1098.3
1111(29) 0.001189 909.3 1102.3
1087(29) 0.001189 910.3 1106.2
1123(29) 0.001189 911.2 1110.1
1117(29) 0.001189 912.1 1113.9
1112(29) 0.001189 913.0 1117.7
1136(29) 0.001189 914.0 1121.4
1111(29) 0.001189 915.0 1125.0
1130(29) 0.001189 916.0 1128.6
1168(30) 0.001111 916.9 1132.0
1173(30) 0.001111 918.0 1135.4
1146(30) 0.001111 919.0 1138.7
1144(30) 0.001111 920.0 1141.8
1122(29) 0.001189 921.1 1144.9
1137(29) 0.001189 922.1 1147.8
1112(29) 0.001189 923.2 1150.6
1130(29) 0.001189 924.3 1153.2
1127(29) 0.001189 925.4 1155.6
1136(29) 0.001189 926.5 1157.9
1151(30) 0.001111 927.6 1160.0
1175(30) 0.001111 928.8 1162.0
1182(30) 0.001111 929.9 1163.7
1176(30) 0.001111 931.1 1165.3
1192(30) 0.001111 932.3 1166.6
1159(30) 0.001111 933.5 1167.8
1146(30) 0.001111 934.7 1168.8
1160(30) 0.001111 936.0 1169.6
1169(30) 0.001111 937.2 1170.2
1151(30) 0.001111 938.5 1170.6
1148(30) 0.001111 939.8 1170.7
1146(30) 0.001111 941.1 1170.7
1152(30) 0.001111 942.4 1170.5
1159(30) 0.001111 943.7 1170.0
1172(30) 0.001111 945.1 1169.3
1131(29) . . .
1122(29) . . .
1138(29) . . .
1179(30) . . .
1178(30) . . .
1173(30) . . .
1147(30) . . .
1172(30) . . .
1143(30) . . .
1151(30) . . .
1139(29) . . .
1114(29) . . .
1097(29) . . .
1110(29) . . .
1118(29) . . .
1139(29) . . .
1103(29) . . .
1077(29) . . .
1109(29) . . .
1110(29) . . .
1105(29) . . .
1084(29) . . .
1099(29) . . .
1117(29) . . .
1117(29) . . .
1125(29) . . .
1119(24) . . .
1142(30) . . .
1139(30) . . .
1107(29) . . .
1133(30) . . .
1101(29) . . .
1122(29) . . .
1148(30) . . .
1122(29) . . .
1134(30) . . .
1152(30) . . .
1124(29) . . .
1108(29) . . .
1132(30) . . .
1149(30) . . .
1159(30) . . .
1168(30) . . .
1169(30) . . .
1188(30) . . .
1201(30) . . .
1194(30) . . .
1199(30) . . .
1201(30) . . .
1231(31) . . .
1212(31) . . .
1241(31) . . .
1263(31) . . .
1216(31) . . .
1234(31) . . .
1289(32) . . .
1282(31) . . .
1289(32) . . .
1293(32) . . .
1333(32) . . .
1340(32) . . .
1276(31) . . .
1314(32) . . .
1359(32) . . .
1382(33) . . .
1377(33) . . .
1372(33) . . .
1362(32) . . .
1378(33) . . .
1394(33) . . .
1392(33) . . .
1366(33) . . .
1408(33) . . .
1426(33) . . .
1383(33) . . .
1388(33) . . .
1440(33) . . .
1426(33) . . .
1422(33) . . .
1437(33) . . .
1410(33) . . .
1410(33) . . .
1453(34) . . .
1419(33) . . .
1421(33) . . .
1462(34) . . .
1438(33) . . .
1440(33) . . .
1474(34) . . .
1488(34) . . .
1430(33) . . .
1456(34) . . .
1513(34) . . .
1480(34) . . .
1448(33) . . .
1485(34) . . .
1470(34) . . .
1448(33) . . .
1474(34) . . .
1506(34) . . .
1521(34) . . .
1499(34) . . .
1468(34) . . .
1479(34) . . .
1450(34) . . .
1424(33) . . .
1444(33) . . .
1455(34) . . .
1459(34) . . .
1463(34) . . .
1453(34) . . .
1464(34) . . .
1473(34) . . .
1474(34) . . .
1485(34) . . .
1468(34) . . .
1470(34) . . .
1443(33) . . .
1457(34) . . .
1452(34) . . .
1464(34) . . .
1488(34) . . .
1517(34) . . .
1490(34) . . .
1476(34) . . .
1484(34) . . .
1492(35) . . .
1506(35) . . .
1525(35) . . .
1500(35) . . .
1527(35) . . .
1575(36) . . .
1540(35) . . .
1535(35) . . .
1548(35) . . .
1568(36) . . .
1557(35) . . .
1611(36) . . .
1626(36) . . .
1598(36) . . .
1598(36) . . .
1579(36) . . .
1624(36) . . .
1627(36) . . .
1646(36) . . .
1612(36) . . .
1613(36) . . .
1652(36) . . .
1688(37) . . .
1670(37) . . .
1665(37) . . .
1691(37) . . .
1672(37) . . .
1687(37) . . .
1645(36) . . .
1638(36) . . .
1683(37) . . .
1682(37) . . .
1720(37) . . .
1688(37) . . .
1682(37) . . .
1649(36) . . .
1663(37) . . .
1673(37) . . .
1717(37) . . .
1712(37) . . .
1704(37) . . .
1708(37) . . .
1797(38) . . .
1745(37) . . .
1717(37) . . .
1743(37) . . .
1774(38) . . .
1800(38) . . .
1743(37) . . .
1739(37) . . .
1817(38) . . .
1788(38) . . .
1762(38) . . .
1808(38) . . .
1808(38) . . .
1818(38) . . .
1803(38) . . .
1842(38) . . .
1821(38) . . .
1832(38) . . .
1834(38) . . .
1776(38) . . .
1841(38) . . .
1867(39) . . .
1826(38) . . .
1817(38) . . .
1906(39) . . .
1895(39) . . .
1882(39) . . .
1896(39) . . .
1874(39) . . .
1805(38) . . .
1878(39) . . .
1915(39) . . .
1939(39) . . .
1913(39) . . .
1846(38) . . .
1880(39) . . .
1907(39) . . .
1922(39) . . .
1931(39) . . .
1922(39) . . .
1974(40) . . .
1930(39) . . .
1970(40) . . .
1943(39) . . .
1931(39) . . .
1902(39) . . .
1891(39) . . .
1927(39) . . .
1913(39) . . .
1960(40) . . .
2005(40) . . .
2016(40) . . .
1982(40) . . .
1986(40) . . .
1991(40) . . .
2014(40) . . .
2091(41) . . .
2016(40) . . .
2024(58) . . .
2042(58) . . .
2057(58) . . .
1970(57) . . .
2055(58) . . .
2046(58) . . .
2033(58) . . .
2045(58) . . .
1948(57) . . .
2016(58) . . .
2095(59) . . .
2045(58) . . .
2008(58) . . .
1980(57) . . .
2113(59) . . .
2083(59) . . .
2009(58) . . .
2006(58) . . .
2050(58) . . .
2078(59) . . .
2061(58) . . .
2072(59) . . .
2110(59) . . .
2166(60) . . .
2075(59) . . .
2022(58) . . .
2050(58) . . .
2145(60) . . .
2149(60) . . .
2134(59) . . .
2152(60) . . .
2148(60) . . .
2235(61) . . .
2117(59) . . .
2038(58) . . .
2163(60) . . .
2193(60) . . .
2163(60) . . .
2121(59) . . .
2210(60) . . .
2105(59) . . .
2136(59) . . .
2122(59) . . .
2173(60) . . .
2131(59) . . .
2255(61) . . .
2193(60) . . .
2201(60) . . .
2219(61) . . .
2204(60) . . .
2184(60) . . .
2185(60) . . .
2147(60) . . .
2149(60) . . .
2100(59) . . .
2231(61) . . .
2186(60) . . .
2295(61) . . .
2317(62) . . .
2304(62) . . .
2224(61) . . .
2198(60) . . .
2198(60) . . .
2188(60) . . .
2267(61) . . .
2293(61) . . .
2291(61) . . .
2194(60) . . .
2278(61) . . .
2210(60) . . .
2246(61) . . .
2323(62) . . .
2313(62) . . .
2353(62) . . .
2306(62) . . .
2372(62) . . .
2233(61) . . .
2295(61) . . .
2337(62) . . .
2303(62) . . .
2323(62) . . .
2404(63) . . .
2384(63) . . .
2403(63) . . .
2376(63) . . .
2324(62) . . .
2368(62) . . .
2452(63) . . .
2446(63) . . .
2393(63) . . .
2414(63) . . .
2379(63) . . .
2455(63) . . .
2292(61) . . .
2439(63) . . .
2433(63) . . .
2296(61) . . .
2411(63) . . .
2416(63) . . .
2499(64) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             675
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -5
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.077
_reflns_d_resolution_low         12.929
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002995'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_0P5CO2_MN_publ

_pd_block_id                     2013-12-02T14:01|0P5CO2_MN||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2013-12-02T14:01
_audit_update_record             
; 2013-12-02T14:01  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     47
_refine_ls_goodness_of_fit_all   0.98
_refine_ls_number_restraints     16
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            orange

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   26.3262(16)
_cell_length_b                   26.3262
_cell_length_c                   7.0440(5)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4227.9(5)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Mn Mn 0.3856(10) 0.3609(11) 0.142(4) 1.0 Uiso 0.033(7) 18
O O1 0.3292(6) 0.2945(6) 0.3615(19) 1.0 Uiso 0.0188(20) 18
O O2 0.3007(7) 0.2278(7) 0.5889(19) 1.0 Uiso 0.0188(20) 18
O O3 0.3572(6) 0.2768(7) 0.0107(23) 1.0 Uiso 0.0188(20) 18
C C1 0.3202(5) 0.2457(5) 0.4193(15) 1.0 Uiso 0.0171(10) 18
C C2 0.3288(6) 0.2053(5) 0.2876(17) 1.0 Uiso 0.0171(10) 18
C C3 0.3453(6) 0.2235(6) 0.0898(15) 1.0 Uiso 0.0171(10) 18
C C4 0.3524(6) 0.1832(6) -0.0210(15) 1.0 Uiso 0.0171(10) 18
H H 0.3609(10) 0.1919(8) -0.1612(27) 1.0 Uiso 0.004(5) 18
O O2b 0.2342(16) 0.7771(16) 0.470(5) 0.535(13) Uiso 0.054(12) 18
C C2a 0.1914(11) 0.7383(12) 0.5291(35) 0.535(13) Uiso 0.030(9) 18
O O2a 0.1460(11) 0.7000(9) 0.5831(35) 0.535(13) Uiso 0.005(7) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.54 H Mn O4.07'
_chemical_formula_weight         175.54
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn Mn 3.126(26) . 103_554 N
Mn Mn 3.126(26) . 202_555 N
Mn O1 2.248(31) . 1_555 N
Mn O1 2.202(28) . 103_554 N
Mn O1 3.185(29) . 202_554 N
Mn O2 2.028(33) . 202_554 N
Mn O3 2.159(32) . 1_555 N
Mn O3 1.95(4) . 202_555 N
Mn C1 3.189(24) . 103_554 N
Mn C1 2.960(31) . 202_554 N
Mn C3 2.936(28) . 202_555 N
Mn O2a 2.513(30) . 101_544 N
O1 Mn 2.248(31) . 1_555 N
O1 Mn 3.185(29) . 103_555 N
O1 Mn 2.202(28) . 202_555 N
O1 O2 2.213(21) . 1_555 N
O1 O3 2.686(20) . 1_555 N
O1 O3 2.722(19) . 202_555 N
O1 C1 1.253(16) . 1_555 N
O1 C2 2.401(18) . 1_555 N
O2 Mn 2.028(33) . 103_555 N
O2 O1 2.213(21) . 1_555 N
O2 C1 1.293(14) . 1_555 N
O2 C2 2.417(19) . 1_555 N
O3 Mn 2.159(32) . 1_555 N
O3 Mn 1.95(4) . 103_554 N
O3 O1 2.686(20) . 1_555 N
O3 O1 2.722(19) . 103_554 N
O3 C2 2.550(19) . 1_555 N
O3 C3 1.392(20) . 1_555 N
O3 C4 2.412(20) . 1_555 N
C1 Mn 2.960(31) . 103_555 N
C1 Mn 3.189(24) . 202_555 N
C1 O1 1.253(16) . 1_555 N
C1 O2 1.293(14) . 1_555 N
C1 C2 1.512(16) . 1_555 N
C2 O1 2.401(18) . 1_555 N
C2 O2 2.417(19) . 1_555 N
C2 O3 2.550(19) . 1_555 N
C2 C1 1.512(16) . 1_555 N
C2 C3 1.466(13) . 1_555 N
C3 Mn 2.936(28) . 103_554 N
C3 O3 1.392(20) . 1_555 N
C3 C2 1.466(13) . 1_555 N
C3 C4 1.402(17) . 1_555 N
C4 O3 2.412(20) . 1_555 N
C4 C3 1.402(17) . 1_555 N
C4 H 1.013(23) . 1_555 N
H C4 1.013(23) . 1_555 N
O2b C2a 1.16(4) . 1_555 N
O2b O2a 2.33(4) . 1_555 N
C2a O2b 1.16(4) . 1_555 N
C2a O2a 1.177(26) . 1_555 N
O2a Mn 2.513(30) . 201_455 N
O2a O2b 2.33(4) . 1_555 N
O2a C2a 1.177(26) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Mn Mn Mn 110.2(8) 103_554 . 202_555 N
Mn Mn O1 92.3(10) 103_554 . 1_555 N
Mn Mn O3 144.4(14) 103_554 . 202_555 N
Mn Mn C3 164.2(12) 103_554 . 202_555 N
Mn Mn O2a 123.7(13) 103_554 . 101_544 N
Mn Mn O2 147.8(17) 202_555 . 202_554 N
Mn Mn O3 114.4(11) 202_555 . 1_555 N
Mn Mn C1 140.6(11) 202_555 . 202_554 N
Mn Mn O2a 113.7(8) 202_555 . 101_544 N
O1 Mn O1 81.0(8) 1_555 . 103_554 N
O1 Mn O2 167.4(17) 1_555 . 202_554 N
O1 Mn O3 80.4(11) 1_555 . 202_555 N
O1 Mn C1 155.5(11) 1_555 . 202_554 N
O1 Mn C3 93.1(10) 1_555 . 202_555 N
O1 Mn O2a 94.9(10) 1_555 . 101_544 N
O1 Mn O2 101.8(11) 103_554 . 202_554 N
O1 Mn O3 98.4(12) 103_554 . 202_555 N
O1 Mn C3 120.5(12) 103_554 . 202_555 N
O1 Mn O2a 168.1(13) 103_554 . 101_544 N
O2 Mn O3 93.4(14) 202_554 . 1_555 N
O2 Mn O3 111.1(13) 202_554 . 202_555 N
O2 Mn C3 96.0(10) 202_554 . 202_555 N
O2 Mn O2a 79.9(10) 202_554 . 101_544 N
O3 Mn O3 155.4(15) 1_555 . 202_555 N
O3 Mn C1 84.7(10) 1_555 . 202_554 N
O3 Mn C3 157.4(12) 1_555 . 202_555 N
O3 Mn C1 118.9(10) 202_555 . 202_554 N
O3 Mn O2a 91.8(11) 202_555 . 101_544 N
C1 Mn C3 110.5(8) 202_554 . 202_555 N
C1 Mn O2a 99.2(9) 202_554 . 101_544 N
Mn O1 Mn 89.3(5) 1_555 . 202_555 N
Mn O1 O2 160.9(10) 1_555 . 1_555 N
Mn O1 C1 137.2(13) 1_555 . 1_555 N
Mn O1 C2 106.8(9) 1_555 . 1_555 N
Mn O1 O2 103.1(9) 202_555 . 1_555 N
Mn O1 C1 132.8(13) 202_555 . 1_555 N
Mn O1 C2 162.9(10) 202_555 . 1_555 N
Mn O2 O1 97.2(9) 103_555 . 1_555 N
Mn O2 C1 124.6(13) 103_555 . 1_555 N
Mn O2 C2 154.3(11) 103_555 . 1_555 N
Mn O3 Mn 98.8(11) 1_555 . 103_554 N
Mn O3 C2 104.6(10) 1_555 . 1_555 N
Mn O3 C3 130.6(13) 1_555 . 1_555 N
Mn O3 C4 154.3(11) 1_555 . 1_555 N
Mn O3 C2 129.9(10) 103_554 . 1_555 N
Mn O3 C4 106.9(11) 103_554 . 1_555 N
Mn C1 O1 88.5(10) 103_555 . 1_555 N
Mn C1 C2 149.9(9) 103_555 . 1_555 N
Mn C1 C3 172.2(8) 103_555 . 1_555 N
O1 C1 O2 120.7(15) 1_555 . 1_555 N
O1 C1 C2 120.3(12) 1_555 . 1_555 N
O1 C1 C3 90.1(9) 1_555 . 1_555 N
O2 C1 C2 118.9(12) 1_555 . 1_555 N
O2 C1 C3 148.8(11) 1_555 . 1_555 N
O1 C2 C3 91.7(8) 1_555 . 1_555 N
O1 C2 C4 123.8(8) 1_555 . 1_555 N
O2 C2 O3 120.2(7) 1_555 . 1_555 N
O2 C2 C3 146.2(9) 1_555 . 1_555 N
O2 C2 C4 176.8(7) 1_555 . 1_555 N
O3 C2 C1 92.4(8) 1_555 . 1_555 N
C1 C2 C3 118.5(11) 1_555 . 1_555 N
C1 C2 C4 150.5(10) 1_555 . 1_555 N
Mn C3 C1 107.8(7) 103_554 . 1_555 N
Mn C3 C2 133.7(10) 103_554 . 1_555 N
Mn C3 C4 102.6(9) 103_554 . 1_555 N
O3 C3 C1 95.0(9) 1_555 . 1_555 N
O3 C3 C2 126.2(12) 1_555 . 1_555 N
O3 C3 C4 119.4(12) 1_555 . 1_555 N
O3 C3 H 94.2(10) 1_555 . 1_555 N
C1 C3 C4 145.6(10) 1_555 . 1_555 N
C1 C3 H 170.8(8) 1_555 . 1_555 N
C2 C3 C4 114.3(11) 1_555 . 1_555 N
C2 C3 H 139.6(11) 1_555 . 1_555 N
O3 C4 H 88.2(13) 1_555 . 1_555 N
C2 C4 H 151.6(14) 1_555 . 1_555 N
C3 C4 H 118.1(15) 1_555 . 1_555 N
O2b C2a O2a 176.1(34) 1_555 . 1_555 N
Mn O2a O2b 118.0(12) 201_455 . 1_555 N
Mn O2a C2a 119.9(21) 201_455 . 1_555 N
O2b O2a C2a 1.9(17) 1_555 . 1_555 N

# Powder diffraction data for histogram  5
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_0P5CO2_MN_publ      
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        544 Ang3  
RESPONSE: The unit cell volume is very large and even with the 0.5 CO2 per metal loading, the framework channel is not even close to being fully occupied.
;
_vrf_PLAT341_0P5CO2_MN_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0180 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Mn 18.0 -0.3730 International_Tables_Vol_C
O 73.268 0.5803 International_Tables_Vol_C
C 81.634 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0355
_pd_proc_ls_prof_wR_factor       0.0436
_pd_proc_ls_prof_wR_expected     0.0446
_refine_ls_R_Fsqd_factor         0.05388

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    422.190     2:   -78.0060     3:    51.8279     4:    13.3516    
      5:    1.45897     6:   -1.81510     7:    12.3843     8:  -0.748539    
      9:    12.6757    10:   0.172837    11:    2.00046    12:    3.43134    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  462.005 #2(GV)   = -111.148 #3(GW)   =   59.884
 #4(GP)   =   40.749 #5(LX)   =    5.995 #6(LY)   =   19.018
 #7(S/L)  =   0.0403 #8(H/L)  =   0.0307
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2013-12-02T14:01:35
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5061
_pd_proc_2theta_range_max        166.2561
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
5690(160) 0.0 688. .
5560(160) 0.0 687. .
4620(140) 0.0 685. .
4200(140) 0.0 684. .
3390(120) 0.0 683. .
3140(120) 0.0 681. .
2780(110) 0.0 680. .
2370(100) 0.0 679. .
2108(97) 0.0 677. .
2009(95) 0.0 676. .
1780(90) 0.0 675. .
1599(85) 0.0 674. .
1464(81) 0.0 672. .
1316(77) 0.0 671. .
1460(81) 0.0 670. .
1338(78) 0.0 668. .
1104(71) 0.0 667. .
1307(77) 0.0 666. .
1081(70) 0.0 665. .
1023(68) 0.0 663. .
1068(69) 0.0 662. .
1041(68) 0.0 661. .
955(66) 0.0 659. .
1063(69) 0.0 658. .
1054(69) 0.0 657. .
1081(70) 0.0 656. .
960(66) 0.0 654. .
874(63) 0.0 653. .
942(65) 0.0 652. .
870(63) 0.0 651. .
838(61) 0.0 649. .
879(63) 0.0 648. .
960(66) 0.0 647. .
888(63) 0.0 646. .
951(65) 0.0 644. .
788(60) 0.0 643. .
806(60) 0.0 642. .
811(60) 0.0 641. .
793(60) 0.0 640. .
879(63) 0.0 638. .
698(56) 0.0 637. .
757(58) 0.0 636. .
766(59) 0.0 635. .
712(57) 0.0 633. .
716(57) 0.0 632. .
784(59) 0.0 631. .
707(56) 0.0 630. .
761(59) 0.0 629. .
685(56) 0.0 627. .
694(56) 0.0 626. .
676(55) 0.0 625. .
730(57) 0.0 624. .
834(61) 0.0 623. .
703(56) 0.0 622. .
626(53) 0.0 620. .
784(59) 0.0 619. .
671(55) 0.0 618. .
631(53) 0.0 617. .
595(52) 0.0 616. .
635(53) 0.0 615. .
815(61) 0.0 614. .
761(59) 0.0 612. .
581(51) 0.0 611. .
716(57) 0.0 610. .
667(55) 0.0 609. .
653(54) 0.0 608. .
599(52) 0.0 607. .
698(56) 0.0 606. .
644(54) 0.0 605. .
667(55) 0.0 604. .
667(55) 0.0 602. .
568(51) 0.0 601. .
685(56) 0.0 600. .
590(52) 0.0 599. .
689(56) 0.0 598. .
568(51) 0.0 597. .
590(52) 0.0 596. .
658(54) 0.0 595. .
613(53) 0.0 594. .
532(49) 0.0 593. .
662(55) 0.0 592. .
631(53) 0.0 591. .
689(56) 0.0 590. .
608(52) 0.0 589. .
730(57) 0.0 588. .
680(55) 0.0 587. .
617(53) 0.0 586. .
644(54) 0.0 585. .
640(54) 0.0 584. .
644(54) 0.0 583. .
622(53) 0.0 582. .
554(50) 0.0 581. .
554(50) 0.0 580. .
590(52) 0.0 579. .
599(52) 0.0 578. .
698(56) 0.0 577. .
617(53) 0.0 576. .
613(53) 0.0 575. .
649(54) 0.0 574. .
572(51) 0.0 573. .
666(38) 0.0 572. .
708(39) 0.0 572. .
702(39) 0.0 571. .
585(35) 0.0 569.7 .
663(38) 0.0 569. .
603(36) 0.0 568. .
627(37) 0.0 567. .
538(34) 0.000865 566.2 576.8
614(36) 0.000772 565. 576.
519(33) 0.000918 564.4 576.2
575(35) 0.000816 563.5 576.0
573(35) 0.000816 562.7 575.9
539(34) 0.000865 561.8 575.8
554(34) 0.000865 561.0 575.8
589(35) 0.000816 560.2 575.9
579(35) 0.000816 559.3 576.1
593(36) 0.000772 558. 576.
529(34) 0.000865 557.7 576.9
585(35) 0.000816 556.9 577.5
520(33) 0.000918 556.1 578.3
656(37) 0.000730 555. 579.
617(36) 0.000772 554. 580.
653(37) 0.000730 554. 582.
614(36) 0.000772 553. 584.
576(35) 0.000816 552.1 586.1
569(35) 0.000816 551.3 588.9
625(36) 0.000772 551. 593.
715(39) 0.000657 550. 598.
686(38) 0.000693 549. 605.
682(38) 0.000693 548. 616.
752(40) 0.000625 548. 635.
709(39) 0.000657 547. 664.
796(41) 0.000595 546. 707.
869(43) 0.000541 545. 767.
899(44) 0.000517 545. 844.
1057(48) 0.000434 544. 937.
1059(48) 0.000434 543. 1045.
1164(50) 0.000400 542. 1169.
1272(52) 0.000370 542. 1310.
1347(54) 0.0003429 541. 1470.
1518(57) 0.0003078 540. 1654.
1670(60) 0.0002778 540. 1869.
1972(65) 0.0002367 539. 2123.
2363(71) 0.0001984 538. 2432.
2740(77) 0.0001687 538. 2823.
3314(84) 0.0001417 537. 3328.
3903(92) 0.0001181 536. 3979.
4880(100) 0.0000961 536. 4771.
5670(110) 0.0000826 535. 5598.
6250(120) 0.0000743 534. 6232.
6300(120) 0.0000743 534. 6359.
5820(110) 0.0000797 533. 5763.
4466(98) 0.0001041 533. 4584.
3350(85) 0.0001384 532. 3267.
2209(69) 0.0002100 531. 2179.
1440(55) 0.0003306 531. 1451.
1029(47) 0.000453 530. 1040.
756(40) 0.000625 530. 836.
711(39) 0.000657 529. 739.
544(34) 0.000865 528.5 688.5
626(36) 0.000772 528. 658.
530(34) 0.000865 527.3 636.5
541(34) 0.000865 526.8 619.9
541(34) 0.000865 526.2 606.7
548(34) 0.000865 525.7 596.0
639(37) 0.000730 525. 587.
559(34) 0.000865 524.6 579.5
600(36) 0.000772 524. 573.
552(34) 0.000865 523.5 567.7
591(35) 0.000816 523.0 562.9
589(35) 0.000816 522.5 558.8
547(34) 0.000865 522.0 555.1
556(34) 0.000865 521.4 551.8
511(33) 0.000918 520.9 548.9
541(34) 0.000865 520.4 546.2
514(33) 0.000918 520.0 543.8
527(33) 0.000918 519.5 541.6
510(33) 0.000918 519.0 539.6
566(35) 0.000816 518.5 537.8
534(34) 0.000865 518.0 536.1
474(32) 0.000977 517.6 534.5
567(35) 0.000816 517.1 533.0
540(34) 0.000865 516.7 531.6
568(35) 0.000816 516.2 530.3
507(33) 0.000918 515.8 529.1
511(33) 0.000918 515.3 527.9
520(33) 0.000918 514.9 526.8
537(34) 0.000865 514.5 525.8
505(33) 0.000918 514.0 524.8
480(32) 0.000977 513.6 523.8
558(34) 0.000865 513.2 522.9
513(33) 0.000918 512.8 522.1
508(33) 0.000918 512.4 521.3
506(33) 0.000918 512.0 520.5
521(33) 0.000918 511.6 519.7
546(34) 0.000865 511.2 519.0
453(42) 0.000567 511. 518.
546(47) 0.000453 510. 518.
499(45) 0.000494 510. 517.
512(45) 0.000494 510. 516.
501(32) 0.000977 509.3 515.7
547(34) 0.000865 509.0 515.1
531(33) 0.000918 508.6 514.5
507(33) 0.000918 508.3 508.3
530(33) 0.000918 507.9 507.9
518(33) 0.000918 507.6 507.6
534(33) 0.000918 507.2 507.2
545(34) 0.000865 506.9 506.9
506(33) 0.000918 506.6 506.6
495(32) 0.000977 506.2 506.2
456(31) 0.001041 505.9 505.9
491(32) 0.000977 505.6 505.6
501(32) 0.000977 505.3 505.3
559(34) 0.000865 505.0 505.0
526(33) 0.000918 504.7 504.7
558(34) 0.000865 504.4 504.4
537(34) 0.000865 504.1 504.1
489(32) 0.000977 503.8 503.8
486(32) 0.000977 503.5 503.5
502(32) 0.000977 503.2 503.2
497(32) 0.000977 503.0 503.0
545(34) 0.000865 502.7 502.7
559(34) 0.000865 502.4 502.4
525(33) 0.000918 502.2 502.2
507(33) 0.000918 501.9 501.9
547(34) 0.000865 501.6 501.7
579(35) 0.000816 501.4 501.4
527(33) 0.000918 501.1 501.2
465(31) 0.001041 500.9 501.0
507(33) 0.000918 500.7 500.7
498(32) 0.000977 500.4 500.5
509(33) 0.000918 500.2 500.3
534(33) 0.000918 500.0 500.0
515(33) 0.000918 499.7 499.8
501(32) 0.000977 499.5 499.6
479(32) 0.000977 499.3 499.4
520(33) 0.000918 499.1 499.2
528(33) 0.000918 498.9 499.0
475(31) 0.001041 498.7 498.8
533(33) 0.000918 498.5 498.6
520(33) 0.000918 498.3 498.4
524(33) 0.000918 498.1 498.2
543(34) 0.000865 497.9 498.0
488(32) 0.000977 497.7 497.8
445(30) 0.001111 497.5 497.6
504(32) 0.000977 497.3 497.5
520(33) 0.000918 497.2 497.3
457(31) 0.001041 497.0 497.1
460(31) 0.001041 496.8 497.0
475(31) 0.001041 496.7 496.8
519(33) 0.000918 496.5 496.7
516(33) 0.000918 496.3 496.5
484(32) 0.000977 496.2 496.4
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559(26) 0.001479 447.7 617.8
616(28) 0.001276 447.6 650.6
631(28) 0.001276 447.4 669.3
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595(26) 0.001479 436.5 577.3
619(26) 0.001479 436.4 609.0
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638(27) 0.001372 435.9 615.2
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495(24) 0.001736 434.5 478.8
528(24) 0.001736 434.4 490.3
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430(22) 0.002066 429.3 446.4
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526(23) 0.001890 426.7 525.6
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526(23) 0.001890 426.4 525.6
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621(25) 0.001600 423.9 604.3
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587(24) 0.001736 423.5 595.3
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540(23) 0.001890 418.8 583.8
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621(25) 0.001600 418.1 637.9
631(25) 0.001600 418.0 610.4
602(25) 0.001600 417.9 590.2
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567(24) 0.001736 417.3 597.0
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719(26) 0.001479 410.5 692.3
723(26) 0.001479 410.4 703.3
726(26) 0.001479 410.3 698.2
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419(19) 0.002770 401.6 426.8
414(19) 0.002770 401.5 422.2
413(19) 0.002770 401.4 418.7
420(19) 0.002770 401.4 416.1
424(19) 0.002770 401.3 414.2
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420(19) 0.002770 401.0 410.3
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420(19) 0.002770 400.7 409.9
427(19) 0.002770 400.6 410.3
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425(19) 0.002770 400.3 416.2
426(19) 0.002770 400.2 419.1
418(19) 0.002770 400.1 422.5
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416(19) 0.002770 399.9 432.6
417(19) 0.002770 399.8 434.2
421(19) 0.002770 399.7 434.2
434(20) 0.002500 399.7 432.9
446(20) 0.002500 399.6 431.0
414(19) 0.002770 399.5 429.2
442(20) 0.002500 399.4 428.3
408(19) 0.002770 399.3 428.9
435(20) 0.002500 399.3 431.7
444(20) 0.002500 399.2 437.3
454(20) 0.002500 399.1 446.3
455(20) 0.002500 399.0 459.0
465(20) 0.002500 399.0 475.6
518(21) 0.002268 398.9 495.8
524(22) 0.002066 398.8 518.5
529(22) 0.002066 398.7 542.0
538(22) 0.002066 398.6 563.7
579(23) 0.001890 398.6 581.0
592(23) 0.001890 398.5 592.5
610(23) 0.001890 398.4 598.8
573(23) 0.001890 398.3 602.0
594(23) 0.001890 398.3 604.4
611(23) 0.001890 398.2 607.4
584(23) 0.001890 398.1 610.4
602(23) 0.001890 398.0 610.8
573(22) 0.002066 397.9 605.3
585(23) 0.001890 397.9 591.8
571(22) 0.002066 397.8 571.6
567(31) 0.001041 397.7 547.9
523(21) 0.002268 397.6 523.8
510(20) 0.002500 397.5 501.6
515(20) 0.002500 397.5 482.5
483(20) 0.002500 397.4 466.7
451(19) 0.002770 397.3 454.0
440(19) 0.002770 397.2 444.0
435(19) 0.002770 397.1 436.2
426(19) 0.002770 397.1 430.5
434(19) 0.002770 397.0 426.6
401(18) 0.003086 396.9 424.1
400(18) 0.003086 396.8 422.8
399(18) 0.003086 396.8 422.4
438(19) 0.002770 396.7 422.5
427(19) 0.002770 396.6 422.8
401(18) 0.003086 396.5 422.7
435(19) 0.002770 396.4 422.0
412(18) 0.003086 396.4 420.8
415(18) 0.003086 396.3 419.3
409(18) 0.003086 396.2 417.9
389(18) 0.003086 396.1 417.1
422(19) 0.002770 396.0 417.1
427(19) 0.002770 396.0 418.0
435(19) 0.002770 395.9 420.0
429(19) 0.002770 395.8 423.0
425(19) 0.002770 395.7 426.8
404(18) 0.003086 395.6 431.1
437(19) 0.002770 395.6 435.4
443(19) 0.002770 395.5 439.2
419(18) 0.003086 395.4 442.5
442(19) 0.002770 395.3 445.5
462(19) 0.002770 395.2 448.4
477(20) 0.002500 395.2 451.7
465(19) 0.002770 395.1 455.2
444(19) 0.002770 395.0 458.3
455(19) 0.002770 394.9 459.9
453(19) 0.002770 394.8 459.3
455(19) 0.002770 394.7 456.0
442(19) 0.002770 394.7 450.5
412(18) 0.003086 394.6 443.7
432(19) 0.002770 394.5 436.6
420(19) 0.002770 394.4 430.1
423(19) 0.002770 394.3 424.7
412(18) 0.003086 394.3 420.9
406(18) 0.003086 394.2 418.7
411(18) 0.003086 394.1 418.1
420(19) 0.002770 394.0 419.0
414(18) 0.003086 393.9 421.0
432(19) 0.002770 393.8 423.5
427(19) 0.002770 393.8 426.1
432(19) 0.002770 393.7 428.3
421(19) 0.002770 393.6 429.4
421(19) 0.002770 393.5 429.5
437(19) 0.002770 393.4 428.8
438(19) 0.002770 393.3 428.1
449(19) 0.002770 393.3 428.0
467(20) 0.002500 393.2 429.1
442(19) 0.002770 393.1 431.4
422(19) 0.002770 393.0 434.9
447(19) 0.002770 392.9 439.3
420(19) 0.002770 392.8 444.0
413(18) 0.003086 392.8 448.1
423(19) 0.002770 392.7 451.0
439(19) 0.002770 392.6 452.6
439(19) 0.002770 392.5 453.2
421(19) 0.002770 392.4 453.3
425(19) 0.002770 392.3 453.1
430(19) 0.002770 392.3 452.4
436(19) 0.002770 392.2 450.8
419(18) 0.003086 392.1 448.0
427(19) 0.002770 392.0 444.2
439(19) 0.002770 391.9 440.0
455(19) 0.002770 391.8 435.6
447(19) 0.002770 391.7 431.4
424(19) 0.002770 391.7 427.3
417(18) 0.003086 391.6 423.2
407(18) 0.003086 391.5 419.4
419(18) 0.003086 391.4 416.1
399(18) 0.003086 391.3 413.4
387(18) 0.003086 391.2 411.6
383(18) 0.003086 391.1 410.8
381(18) 0.003086 391.1 411.2
415(18) 0.003086 391.0 412.8
416(18) 0.003086 390.9 415.7
380(18) 0.003086 390.8 419.8
386(18) 0.003086 390.7 424.9
416(18) 0.003086 390.6 430.8
425(19) 0.002770 390.5 436.9
430(19) 0.002770 390.4 442.7
437(19) 0.002770 390.4 447.3
410(18) 0.003086 390.3 450.3
466(19) 0.002770 390.2 451.9
465(19) 0.002770 390.1 452.4
442(19) 0.002770 390.0 452.6
438(19) 0.002770 389.9 452.5
440(19) 0.002770 389.8 451.8
462(19) 0.002770 389.7 450.2
488(20) 0.002500 389.6 447.0
451(19) 0.002770 389.6 442.2
448(19) 0.002770 389.5 436.5
444(19) 0.002770 389.4 430.6
422(19) 0.002770 389.3 425.2
414(18) 0.003086 389.2 420.7
431(19) 0.002770 389.1 417.7
429(19) 0.002770 389.0 416.3
418(19) 0.002770 388.9 416.4
421(19) 0.002770 388.8 418.1
391(18) 0.003086 388.8 421.1
406(18) 0.003086 388.7 424.8
429(19) 0.002770 388.6 428.9
448(19) 0.002770 388.5 432.6
456(19) 0.002770 388.4 435.0
445(19) 0.002770 388.3 435.7
450(19) 0.002770 388.2 434.6
427(19) 0.002770 388.1 432.1
433(19) 0.002770 388.0 429.1
417(19) 0.002770 387.9 426.3
412(18) 0.003086 387.8 424.1
405(18) 0.003086 387.8 423.0
420(19) 0.002770 387.7 423.0
418(19) 0.002770 387.6 424.3
437(19) 0.002770 387.5 426.8
470(20) 0.002500 387.4 430.4
434(19) 0.002770 387.3 434.9
430(19) 0.002770 387.2 439.8
463(20) 0.002500 387.1 444.4
453(19) 0.002770 387.0 447.9
428(19) 0.002770 386.9 449.6
429(19) 0.002770 386.8 448.9
425(19) 0.002770 386.7 446.2
442(19) 0.002770 386.6 442.0
419(19) 0.002770 386.6 437.1
440(19) 0.002770 386.5 432.4
414(18) 0.003086 386.4 428.3
412(18) 0.003086 386.3 425.2
434(19) 0.002770 386.2 423.0
425(19) 0.002770 386.1 421.6
404(18) 0.003086 386.0 420.6
414(18) 0.003086 385.9 419.9
426(19) 0.002770 385.8 419.1
420(19) 0.002770 385.7 418.4
430(19) 0.002770 385.6 417.9
414(18) 0.003086 385.5 417.7
426(19) 0.002770 385.4 418.2
425(19) 0.002770 385.3 419.9
414(18) 0.003086 385.2 423.3
425(19) 0.002770 385.1 428.8
468(20) 0.002500 385.0 436.9
453(19) 0.002770 384.9 447.9
464(20) 0.002500 384.8 462.2
490(20) 0.002500 384.8 479.7
515(21) 0.002268 384.7 500.1
546(21) 0.002268 384.6 522.5
544(21) 0.002268 384.5 545.5
575(22) 0.002066 384.4 566.6
564(22) 0.002066 384.3 583.0
583(22) 0.002066 384.2 591.6
589(22) 0.002066 384.1 590.7
577(22) 0.002066 384.0 580.6
570(22) 0.002066 383.9 563.4
543(21) 0.002268 383.8 542.5
519(21) 0.002268 383.7 520.8
502(20) 0.002500 383.6 500.9
490(20) 0.002500 383.5 484.5
498(20) 0.002500 383.4 472.9
465(20) 0.002500 383.3 466.6
479(20) 0.002500 383.2 465.9
486(20) 0.002500 383.1 470.7
480(20) 0.002500 383.0 480.6
505(20) 0.002500 382.9 494.9
528(21) 0.002268 382.8 512.8
512(21) 0.002268 382.7 533.1
540(21) 0.002268 382.6 554.1
596(22) 0.002066 382.5 573.9
600(22) 0.002066 382.4 591.3
636(23) 0.001890 382.3 605.7
664(23) 0.001890 382.2 617.3
615(22) 0.002066 382.1 625.6
632(23) 0.001890 382.0 629.3
621(23) 0.001890 381.9 627.0
619(23) 0.001890 381.8 618.1
604(22) 0.002066 381.7 603.5
600(22) 0.002066 381.6 585.4
555(21) 0.002268 381.5 566.0
526(21) 0.002268 381.4 546.7
533(21) 0.002268 381.3 528.2
509(20) 0.002500 381.2 511.3
457(19) 0.002770 381.1 496.4
485(20) 0.002500 381.0 483.9
480(20) 0.002500 380.9 474.4
490(20) 0.002500 380.8 467.6
468(20) 0.002500 380.7 463.4
469(20) 0.002500 380.6 460.9
440(19) 0.002770 380.5 459.2
435(19) 0.002770 380.4 457.6
464(20) 0.002500 380.3 455.3
453(19) 0.002770 380.2 452.1
425(19) 0.002770 380.1 448.1
453(19) 0.002770 380.0 443.5
433(19) 0.002770 379.9 438.6
447(15) 0.00444 379.8 433.5
431(19) 0.002770 379.7 428.7
413(18) 0.003086 379.6 424.5
410(18) 0.003086 379.5 421.2
420(19) 0.002770 379.4 419.0
418(18) 0.003086 379.3 418.1
395(18) 0.003086 379.2 418.4
404(18) 0.003086 379.1 419.9
386(18) 0.003086 379.0 422.2
401(18) 0.003086 378.9 425.3
409(18) 0.003086 378.8 428.9
454(19) 0.002770 378.7 432.9
459(19) 0.002770 378.6 437.1
442(19) 0.002770 378.5 441.3
442(19) 0.002770 378.4 444.8
450(19) 0.002770 378.3 447.1
454(19) 0.002770 378.1 447.9
432(19) 0.002770 378.0 446.7
443(19) 0.002770 377.9 443.6
458(19) 0.002770 377.8 438.8
456(19) 0.002770 377.7 433.2
459(19) 0.002770 377.6 427.4
449(19) 0.002770 377.5 422.2
421(19) 0.002770 377.4 417.9
408(18) 0.003086 377.3 414.7
414(18) 0.003086 377.2 412.8
425(19) 0.002770 377.1 412.1
409(18) 0.003086 377.0 412.2
424(19) 0.002770 376.9 413.0
399(18) 0.003086 376.8 413.9
411(18) 0.003086 376.7 414.7
413(18) 0.003086 376.6 415.0
412(18) 0.003086 376.5 415.1
447(19) 0.002770 376.4 414.8
440(19) 0.002770 376.3 414.4
417(18) 0.003086 376.2 414.2
427(19) 0.002770 376.1 413.9
407(18) 0.003086 376.0 413.5
400(18) 0.003086 375.9 412.8
417(18) 0.003086 375.7 411.7
415(18) 0.003086 375.6 410.1
429(19) 0.002770 375.5 408.4
392(18) 0.003086 375.4 406.4
386(18) 0.003086 375.3 404.3
370(17) 0.003460 375.2 402.0
391(18) 0.003086 375.1 399.6
402(18) 0.003086 375.0 397.1
400(18) 0.003086 374.9 394.7
402(18) 0.003086 374.8 392.4
399(18) 0.003086 374.7 390.5
401(18) 0.003086 374.6 389.0
383(18) 0.003086 374.5 387.8
379(18) 0.003086 374.4 387.1
383(18) 0.003086 374.3 386.7
402(18) 0.003086 374.2 386.5
420(18) 0.003086 374.1 386.6
401(18) 0.003086 373.9 386.8
405(18) 0.003086 373.8 387.0
378(18) 0.003086 373.7 387.2
385(18) 0.003086 373.6 387.2
394(18) 0.003086 373.5 387.3
396(18) 0.003086 373.4 387.4
385(18) 0.003086 373.3 387.9
376(17) 0.003460 373.2 388.9
360(17) 0.003460 373.1 390.5
373(17) 0.003460 373.0 392.9
401(18) 0.003086 372.9 396.1
407(18) 0.003086 372.8 400.2
413(18) 0.003086 372.7 404.9
412(18) 0.003086 372.6 410.2
415(18) 0.003086 372.5 415.6
417(18) 0.003086 372.4 420.6
420(19) 0.002770 372.2 424.5
431(19) 0.002770 372.1 426.6
447(19) 0.002770 372.0 426.7
467(20) 0.002500 371.9 424.5
462(19) 0.002770 371.8 420.6
449(19) 0.002770 371.7 415.5
412(18) 0.003086 371.6 410.0
423(19) 0.002770 371.5 404.6
423(19) 0.002770 371.4 399.7
395(18) 0.003086 371.3 395.5
405(18) 0.003086 371.2 392.2
399(18) 0.003086 371.1 389.8
391(18) 0.003086 371.0 388.2
395(18) 0.003086 370.9 387.3
392(18) 0.003086 370.8 387.1
388(18) 0.003086 370.6 387.3
364(17) 0.003460 370.5 387.9
393(18) 0.003086 370.4 388.8
409(18) 0.003086 370.3 389.8
395(18) 0.003086 370.2 390.9
396(18) 0.003086 370.1 392.1
404(18) 0.003086 370.0 393.6
375(17) 0.003460 369.9 395.6
386(18) 0.003086 369.8 398.1
393(18) 0.003086 369.7 401.3
402(18) 0.003086 369.6 405.2
415(18) 0.003086 369.5 409.9
384(18) 0.003086 369.4 415.5
372(24) 0.001736 369.3 421.8
428(18) 0.003086 369.2 428.6
431(18) 0.003086 369.0 435.5
468(19) 0.002770 368.9 441.8
417(18) 0.003086 368.8 447.1
419(18) 0.003086 368.7 450.8
441(18) 0.003086 368.6 452.9
462(19) 0.002770 368.5 453.4
413(18) 0.003086 368.4 452.4
430(18) 0.003086 368.3 450.1
426(18) 0.003086 368.2 446.4
429(18) 0.003086 368.1 441.2
414(18) 0.003086 368.0 434.8
421(18) 0.003086 367.9 427.8
421(18) 0.003086 367.8 420.7
436(18) 0.003086 367.7 414.2
396(17) 0.003460 367.6 408.5
405(18) 0.003086 367.4 403.9
408(18) 0.003086 367.3 400.6
398(17) 0.003460 367.2 398.6
380(17) 0.003460 367.1 397.8
401(18) 0.003086 367.0 398.0
408(18) 0.003086 366.9 399.0
402(18) 0.003086 366.8 400.6
399(17) 0.003460 366.7 402.5
394(17) 0.003460 366.6 404.3
425(18) 0.003086 366.5 405.9
399(17) 0.003460 366.4 407.4
409(18) 0.003086 366.3 408.5
382(17) 0.003460 366.2 409.4
387(17) 0.003460 366.1 409.9
397(17) 0.003460 366.0 409.9
404(18) 0.003086 365.9 409.4
403(18) 0.003086 365.8 408.3
433(18) 0.003086 365.7 406.8
427(18) 0.003086 365.5 404.9
409(18) 0.003086 365.4 403.2
424(18) 0.003086 365.3 401.8
378(17) 0.003460 365.2 401.1
406(18) 0.003086 365.1 401.2
416(18) 0.003086 365.0 402.2
393(17) 0.003460 364.9 404.0
432(18) 0.003086 364.8 406.4
433(18) 0.003086 364.7 409.2
417(18) 0.003086 364.6 412.0
403(18) 0.003086 364.5 414.3
404(18) 0.003086 364.4 415.9
455(19) 0.002770 364.3 416.5
437(18) 0.003086 364.2 416.4
428(18) 0.003086 364.1 416.0
413(18) 0.003086 364.0 416.0
437(18) 0.003086 363.9 416.7
404(18) 0.003086 363.8 418.5
433(18) 0.003086 363.7 421.7
444(18) 0.003086 363.6 426.3
465(19) 0.002770 363.5 432.0
489(19) 0.002770 363.4 438.4
447(19) 0.002770 363.3 444.8
482(19) 0.002770 363.2 450.5
479(19) 0.002770 363.1 454.6
483(19) 0.002770 363.0 456.4
468(19) 0.002770 362.8 455.8
470(19) 0.002770 362.7 452.9
447(19) 0.002770 362.6 448.6
468(19) 0.002770 362.5 443.6
457(19) 0.002770 362.4 438.6
463(19) 0.002770 362.3 434.0
424(18) 0.003086 362.2 430.2
439(18) 0.003086 362.1 427.2
438(18) 0.003086 362.0 425.2
445(18) 0.003086 361.9 424.2
442(18) 0.003086 361.8 424.1
447(19) 0.002770 361.7 425.3
470(19) 0.002770 361.6 427.8
398(17) 0.003460 361.5 431.8
447(19) 0.002770 361.4 437.4
475(19) 0.002770 361.3 444.7
492(19) 0.002770 361.2 453.6
486(19) 0.002770 361.1 463.5
462(19) 0.002770 361.0 473.9
482(19) 0.002770 360.9 483.7
484(19) 0.002770 360.8 491.9
509(20) 0.002500 360.7 497.2
528(20) 0.002500 360.6 499.0
521(20) 0.002500 360.5 497.1
526(20) 0.002500 360.4 492.4
517(20) 0.002500 360.3 485.8
487(19) 0.002770 360.2 478.3
458(19) 0.002770 360.1 470.3
474(19) 0.002770 360.0 462.4
441(18) 0.003086 359.9 454.4
430(18) 0.003086 359.8 446.3
419(18) 0.003086 359.7 438.0
429(18) 0.003086 359.6 429.7
414(18) 0.003086 359.5 421.5
429(18) 0.003086 359.4 413.9
424(18) 0.003086 359.3 406.9
418(18) 0.003086 359.2 400.7
400(18) 0.003086 359.1 395.3
389(17) 0.003460 359.0 390.7
339(16) 0.00391 358.9 386.8
413(18) 0.003086 358.8 383.5
390(17) 0.003460 358.8 380.9
396(18) 0.003086 358.7 378.9
385(17) 0.003460 358.6 377.5
389(17) 0.003460 358.5 376.5
358(17) 0.003460 358.4 376.0
397(18) 0.003086 358.3 375.8
391(17) 0.003460 358.2 375.9
407(18) 0.003086 358.1 376.1
349(16) 0.00391 358.0 376.4
393(17) 0.003460 357.9 376.5
378(17) 0.003460 357.8 376.6
371(17) 0.003460 357.7 376.4
391(17) 0.003460 357.6 376.1
350(16) 0.00391 357.5 375.6
380(17) 0.003460 357.4 375.0
343(16) 0.00391 357.3 374.4
372(17) 0.003460 357.2 373.7
358(17) 0.003460 357.1 373.1
356(17) 0.003460 357.0 372.7
395(18) 0.003086 356.9 372.6
344(16) 0.00391 356.9 372.9
369(17) 0.003460 356.8 373.5
406(18) 0.003086 356.7 374.5
385(17) 0.003460 356.6 375.8
348(16) 0.00391 356.5 377.3
397(18) 0.003086 356.4 379.0
347(16) 0.00391 356.3 380.7
369(17) 0.003460 356.2 382.1
381(17) 0.003460 356.1 383.1
395(17) 0.003460 356.0 383.6
348(16) 0.00391 355.9 383.4
389(17) 0.003460 355.8 382.8
365(17) 0.003460 355.8 381.8
376(17) 0.003460 355.7 380.8
353(17) 0.003460 355.6 379.8
382(17) 0.003460 355.5 379.1
382(17) 0.003460 355.4 378.7
384(17) 0.003460 355.3 378.7
404(18) 0.003086 355.2 379.1
402(18) 0.003086 355.1 379.9
428(18) 0.003086 355.0 380.9
389(17) 0.003460 354.9 382.1
361(17) 0.003460 354.9 383.4
368(17) 0.003460 354.8 384.6
376(17) 0.003460 354.7 385.5
382(17) 0.003460 354.6 386.2
374(17) 0.003460 354.5 386.5
410(18) 0.003086 354.4 386.7
373(17) 0.003460 354.3 386.8
358(17) 0.003460 354.2 387.1
428(18) 0.003086 354.2 387.6
372(17) 0.003460 354.1 388.2
412(18) 0.003086 354.0 389.0
393(17) 0.003460 353.9 389.8
379(17) 0.003460 353.8 390.5
386(17) 0.003460 353.7 390.9
393(17) 0.003460 353.6 391.1
391(17) 0.003460 353.6 391.0
366(17) 0.003460 353.5 390.8
405(18) 0.003086 353.4 390.6
373(17) 0.003460 353.3 390.5
365(17) 0.003460 353.2 390.7
377(17) 0.003460 353.1 391.3
372(17) 0.003460 353.1 392.4
382(17) 0.003460 353.0 394.4
410(18) 0.003086 352.9 397.4
392(17) 0.003460 352.8 401.3
403(18) 0.003086 352.7 406.1
400(18) 0.003086 352.6 411.7
403(18) 0.003086 352.6 417.9
403(18) 0.003086 352.5 424.1
429(18) 0.003086 352.4 429.9
410(18) 0.003086 352.3 434.6
430(18) 0.003086 352.2 437.7
415(18) 0.003086 352.1 438.7
436(18) 0.003086 352.1 437.3
425(18) 0.003086 352.0 433.7
414(18) 0.003086 351.9 428.3
440(18) 0.003086 351.8 421.6
391(17) 0.003460 351.7 414.3
391(17) 0.003460 351.7 406.9
377(17) 0.003460 351.6 399.8
392(17) 0.003460 351.5 393.4
394(17) 0.003460 351.4 387.8
355(17) 0.003460 351.4 383.0
353(17) 0.003460 351.3 379.2
380(17) 0.003460 351.2 376.3
351(16) 0.00391 351.1 374.3
371(17) 0.003460 351.0 373.0
343(16) 0.00391 351.0 372.6
354(17) 0.003460 350.9 372.9
360(17) 0.003460 350.8 373.9
352(17) 0.003460 350.7 375.6
392(17) 0.003460 350.7 377.9
364(17) 0.003460 350.6 380.6
400(18) 0.003086 350.5 383.7
422(18) 0.003086 350.4 387.0
396(18) 0.003086 350.4 390.1
401(18) 0.003086 350.3 392.9
413(19) 0.002770 350.2 395.1
415(19) 0.002770 350.1 396.3
396(18) 0.003086 350.1 396.4
373(18) 0.003086 350.0 395.5
400(18) 0.003086 349.9 393.8
394(18) 0.003086 349.9 391.7
411(18) 0.003086 349.8 389.5
403(18) 0.003086 349.7 387.5
380(18) 0.003086 349.6 386.0
428(19) 0.002770 349.6 385.2
422(19) 0.002770 349.5 385.2
404(18) 0.003086 349.4 386.1
408(18) 0.003086 349.4 387.9
416(19) 0.002770 349.3 390.5
398(18) 0.003086 349.2 393.9
397(18) 0.003086 349.1 397.7
409(18) 0.003086 349.1 401.9
452(19) 0.002770 349.0 406.0
407(18) 0.003086 348.9 409.9
428(19) 0.002770 348.9 413.5
393(18) 0.003086 348.8 416.6
438(19) 0.002770 348.7 419.2
455(19) 0.002770 348.7 421.3
446(19) 0.002770 348.6 422.8
401(18) 0.003086 348.5 423.6
425(19) 0.002770 348.5 423.7
402(18) 0.003086 348.4 423.0
430(19) 0.002770 348.3 421.7
402(18) 0.003086 348.3 419.8
397(18) 0.003086 348.2 417.4
440(19) 0.002770 348.1 414.6
399(18) 0.003086 348.1 411.3
414(19) 0.002770 348.0 407.5
391(18) 0.003086 347.9 403.4
385(18) 0.003086 347.9 399.0
420(19) 0.002770 347.8 394.7
367(17) 0.003460 347.7 390.7
397(18) 0.003086 347.7 387.1
387(18) 0.003086 347.6 384.0
386(18) 0.003086 347.6 381.7
367(17) 0.003460 347.5 380.2
402(18) 0.003086 347.4 379.5
372(18) 0.003086 347.4 379.8
396(18) 0.003086 347.3 381.1
369(17) 0.003460 347.3 383.4
397(18) 0.003086 347.2 386.8
393(18) 0.003086 347.1 391.0
390(18) 0.003086 347.1 396.1
403(18) 0.003086 347.0 401.8
401(18) 0.003086 347.0 407.9
413(19) 0.002770 346.9 413.9
421(19) 0.002770 346.8 419.6
412(18) 0.003086 346.8 424.3
405(18) 0.003086 346.7 427.8
450(19) 0.002770 346.7 429.6
441(19) 0.002770 346.6 429.9
413(19) 0.002770 346.5 428.6
407(18) 0.003086 346.5 426.0
409(18) 0.003086 346.4 422.3
398(18) 0.003086 346.4 417.7
388(18) 0.003086 346.3 412.4
431(19) 0.002770 346.3 406.6
395(18) 0.003086 346.2 400.6
428(19) 0.002770 346.2 394.6
404(18) 0.003086 346.1 388.9
407(18) 0.003086 346.0 383.6
375(18) 0.003086 346.0 378.8
384(18) 0.003086 345.9 374.7
370(18) 0.003086 345.9 371.3
350(17) 0.003460 345.8 368.4
343(17) 0.003460 345.8 366.2
364(17) 0.003460 345.7 364.6
348(17) 0.003460 345.7 363.4
389(18) 0.003086 345.6 362.8
350(17) 0.003460 345.6 362.7
355(17) 0.003460 345.5 363.0
360(17) 0.003460 345.5 363.9
387(18) 0.003086 345.4 365.2
359(17) 0.003460 345.4 367.0
384(18) 0.003086 345.3 369.4
372(18) 0.003086 345.3 372.3
373(18) 0.003086 345.2 375.8
349(17) 0.003460 345.2 379.9
361(17) 0.003460 345.1 384.4
388(18) 0.003086 345.1 389.4
419(19) 0.002770 345.0 394.6
400(18) 0.003086 345.0 399.9
386(18) 0.003086 344.9 405.1
418(19) 0.002770 344.9 409.9
423(19) 0.002770 344.8 414.1
430(19) 0.002770 344.8 417.6
424(19) 0.002770 344.7 420.2
423(19) 0.002770 344.7 422.0
387(18) 0.003086 344.7 423.0
415(19) 0.002770 344.6 423.3
431(19) 0.002770 344.6 423.1
379(18) 0.003086 344.5 422.3
443(19) 0.002770 344.5 421.2
437(19) 0.002770 344.4 419.8
429(19) 0.002770 344.4 418.4
418(19) 0.002770 344.3 417.3
424(19) 0.002770 344.3 416.7
416(19) 0.002770 344.3 416.7
446(19) 0.002770 344.2 417.7
408(19) 0.002770 344.2 419.7
422(19) 0.002770 344.1 423.0
411(19) 0.002770 344.1 427.6
470(20) 0.002500 344.0 433.4
457(20) 0.002500 344.0 440.5
486(20) 0.002500 344.0 448.6
460(20) 0.002500 343.9 457.2
460(20) 0.002500 343.9 466.1
488(20) 0.002500 343.8 474.8
509(21) 0.002268 343.8 482.7
505(21) 0.002268 343.8 489.2
468(20) 0.002500 343.7 493.8
516(21) 0.002268 343.7 496.0
509(21) 0.002268 343.7 495.7
485(20) 0.002500 343.6 493.0
483(20) 0.002500 343.6 488.4
468(20) 0.002500 343.5 482.6
515(21) 0.002268 343.5 476.1
480(20) 0.002500 343.5 469.6
471(20) 0.002500 343.4 463.4
462(20) 0.002500 343.4 457.6
444(19) 0.002770 343.4 452.3
426(19) 0.002770 343.3 447.3
431(19) 0.002770 343.3 442.6
432(19) 0.002770 343.3 438.0
410(19) 0.002770 343.2 433.3
435(19) 0.002770 343.2 428.9
447(19) 0.002770 343.2 424.8
431(19) 0.002770 343.1 421.3
375(18) 0.003086 343.1 418.7
416(19) 0.002770 343.1 417.1
438(19) 0.002770 343.0 416.7
446(19) 0.002770 343.0 417.5
432(19) 0.002770 343.0 419.7
419(19) 0.002770 342.9 423.2
423(19) 0.002770 342.9 427.9
440(19) 0.002770 342.9 433.8
458(20) 0.002500 342.8 440.6
455(20) 0.002500 342.8 448.1
463(20) 0.002500 342.8 455.8
418(19) 0.002770 342.8 463.4
461(20) 0.002500 342.7 470.3
467(20) 0.002500 342.7 476.3
448(19) 0.002770 342.7 481.0
458(20) 0.002500 342.6 484.3
495(20) 0.002500 342.6 486.2
484(20) 0.002500 342.6 486.9
481(20) 0.002500 342.6 486.7
520(21) 0.002268 342.5 485.9
514(21) 0.002268 342.5 484.8
486(20) 0.002500 342.5 483.5
482(20) 0.002500 342.4 482.1
507(21) 0.002268 342.4 480.3
481(20) 0.002500 342.4 478.1
458(20) 0.002500 342.4 475.3
459(20) 0.002500 342.3 471.8
469(20) 0.002500 342.3 467.4
450(19) 0.002770 342.3 462.5
464(20) 0.002500 342.3 457.3
439(19) 0.002770 342.2 452.0
463(20) 0.002500 342.2 447.0
442(19) 0.002770 342.2 442.6
456(20) 0.002500 342.2 438.9
441(19) 0.002770 342.2 435.9
440(19) 0.002770 342.1 433.7
455(20) 0.002500 342.1 432.2
434(19) 0.002770 342.1 431.5
449(19) 0.002770 342.1 431.3
486(20) 0.002500 342.1 431.6
449(19) 0.002770 342.0 432.1
427(19) 0.002770 342.0 432.6
452(19) 0.002770 342.0 432.9
446(19) 0.002770 342.0 432.6
472(20) 0.002500 342.0 431.4
434(19) 0.002770 341.9 429.3
422(19) 0.002770 341.9 426.3
395(18) 0.003086 341.9 422.7
400(18) 0.003086 341.9 418.6
393(18) 0.003086 341.9 414.4
402(18) 0.003086 341.8 410.3
402(18) 0.003086 341.8 406.7
392(18) 0.003086 341.8 403.5
383(18) 0.003086 341.8 401.1
395(18) 0.003086 341.8 399.2
410(19) 0.002770 341.8 397.9
392(18) 0.003086 341.7 397.3
401(18) 0.003086 341.7 397.1
399(18) 0.003086 341.7 397.4
398(18) 0.003086 341.7 398.1
416(19) 0.002770 341.7 399.1
400(18) 0.003086 341.7 400.4
378(18) 0.003086 341.6 402.1
353(17) 0.003460 341.6 404.1
395(18) 0.003086 341.6 406.4
419(19) 0.002770 341.6 409.0
421(19) 0.002770 341.6 411.7
424(18) 0.003086 341.6 414.5
411(18) 0.003086 341.6 417.2
404(18) 0.003086 341.6 419.6
425(18) 0.003086 341.5 421.6
421(18) 0.003086 341.5 422.8
404(18) 0.003086 341.5 423.3
442(18) 0.003086 341.5 422.9
421(18) 0.003086 341.5 421.9
463(19) 0.002770 341.5 420.2
399(18) 0.003086 341.5 418.1
415(18) 0.003086 341.5 415.6
423(18) 0.003086 341.5 413.1
420(18) 0.003086 341.4 410.4
411(18) 0.003086 341.4 407.9
387(17) 0.003460 341.4 405.6
406(18) 0.003086 341.4 403.7
398(18) 0.003086 341.4 402.1
361(17) 0.003460 341.4 401.2
407(18) 0.003086 341.4 401.0
392(17) 0.003460 341.4 401.5
397(17) 0.003460 341.4 402.8
408(18) 0.003086 341.4 405.0
427(18) 0.003086 341.4 408.1
404(18) 0.003086 341.4 412.1
450(19) 0.002770 341.4 416.8
455(19) 0.002770 341.4 422.0
420(18) 0.003086 341.3 427.6
409(18) 0.003086 341.3 433.3
431(18) 0.003086 341.3 438.8
428(18) 0.003086 341.3 443.8
449(19) 0.002770 341.3 447.9
474(19) 0.002770 341.3 450.9
481(19) 0.002770 341.3 452.3
467(19) 0.002770 341.3 452.2
457(19) 0.002770 341.3 450.4
456(19) 0.002770 341.3 447.1
490(19) 0.002770 341.3 442.6
445(19) 0.002770 341.3 437.2
450(19) 0.002770 341.3 431.5
398(18) 0.003086 341.3 425.7
407(18) 0.003086 341.3 420.1
454(19) 0.002770 341.3 415.2
411(18) 0.003086 341.3 411.0
391(17) 0.003460 341.3 407.7
453(19) 0.002770 341.3 405.4
414(18) 0.003086 341.3 404.1
422(18) 0.003086 341.3 403.7
443(18) 0.003086 341.3 404.2
410(18) 0.003086 341.3 405.4
426(18) 0.003086 341.3 407.3
405(18) 0.003086 341.3 409.7
406(18) 0.003086 341.3 412.5
406(18) 0.003086 341.3 415.4
415(18) 0.003086 341.3 418.5
419(18) 0.003086 341.3 421.5
429(18) 0.003086 341.3 424.3
421(18) 0.003086 341.3 426.9
417(18) 0.003086 341.3 429.1
395(17) 0.003460 341.3 430.8
413(18) 0.003086 341.3 431.9
439(18) 0.003086 341.3 432.2
445(19) 0.002770 341.3 431.6
420(18) 0.003086 341.3 430.0
386(17) 0.003460 341.3 427.4
381(17) 0.003460 341.3 423.9
413(18) 0.003086 341.3 419.7
416(18) 0.003086 341.3 415.1
415(18) 0.003086 341.3 410.3
417(18) 0.003086 341.3 405.5
387(17) 0.003460 341.3 401.0
374(17) 0.003460 341.3 397.0
403(18) 0.003086 341.3 393.4
399(18) 0.003086 341.3 390.6
371(17) 0.003460 341.4 388.4
403(18) 0.003086 341.4 386.9
387(17) 0.003460 341.4 386.2
377(17) 0.003460 341.4 386.2
386(17) 0.003460 341.4 386.9
419(18) 0.003086 341.4 388.3
418(18) 0.003086 341.4 390.2
400(18) 0.003086 341.4 392.5
406(18) 0.003086 341.4 395.1
407(18) 0.003086 341.4 397.9
403(18) 0.003086 341.4 400.6
427(18) 0.003086 341.4 403.3
428(18) 0.003086 341.4 405.8
423(18) 0.003086 341.4 408.1
414(18) 0.003086 341.5 410.0
389(17) 0.003460 341.5 411.6
416(18) 0.003086 341.5 412.8
400(18) 0.003086 341.5 413.3
419(18) 0.003086 341.5 413.3
425(18) 0.003086 341.5 412.6
415(18) 0.003086 341.5 411.3
422(18) 0.003086 341.5 409.5
396(17) 0.003460 341.5 407.5
387(17) 0.003460 341.5 405.4
405(18) 0.003086 341.6 403.5
414(18) 0.003086 341.6 401.9
365(23) 0.001890 341.6 400.8
391(17) 0.003460 341.6 400.4
405(18) 0.003086 341.6 400.6
394(18) 0.003086 341.6 401.5
384(17) 0.003460 341.6 403.1
373(17) 0.003460 341.6 405.4
396(18) 0.003086 341.6 408.4
376(17) 0.003460 341.7 411.9
408(18) 0.003086 341.7 415.9
412(18) 0.003086 341.7 420.3
409(18) 0.003086 341.7 424.8
430(18) 0.003086 341.7 429.3
419(18) 0.003086 341.7 433.6
420(18) 0.003086 341.7 437.4
439(18) 0.003086 341.8 440.6
440(19) 0.002770 341.8 443.0
417(18) 0.003086 341.8 444.5
431(18) 0.003086 341.8 445.0
427(18) 0.003086 341.8 444.7
441(19) 0.002770 341.8 443.7
432(18) 0.003086 341.8 442.1
411(18) 0.003086 341.9 439.9
431(18) 0.003086 341.9 437.5
444(19) 0.002770 341.9 434.7
421(18) 0.003086 341.9 431.6
410(18) 0.003086 341.9 428.3
408(18) 0.003086 341.9 424.7
407(18) 0.003086 342.0 421.0
401(18) 0.003086 342.0 417.1
425(18) 0.003086 342.0 413.0
415(18) 0.003086 342.0 409.0
399(18) 0.003086 342.0 405.0
407(18) 0.003086 342.0 401.1
417(18) 0.003086 342.1 397.3
384(17) 0.003460 342.1 393.7
387(17) 0.003460 342.1 390.3
359(17) 0.003460 342.1 387.2
378(17) 0.003460 342.1 384.3
381(17) 0.003460 342.1 381.8
380(17) 0.003460 342.2 379.5
369(17) 0.003460 342.2 377.5
380(17) 0.003460 342.2 375.8
365(17) 0.003460 342.2 374.4
334(16) 0.00391 342.2 373.3
349(16) 0.00391 342.3 372.3
366(17) 0.003460 342.3 371.6
353(17) 0.003460 342.3 371.1
361(17) 0.003460 342.3 370.6
363(17) 0.003460 342.3 370.3
358(17) 0.003460 342.4 370.0
360(17) 0.003460 342.4 369.8
349(16) 0.00391 342.4 369.7
359(17) 0.003460 342.4 369.5
377(17) 0.003460 342.4 369.4
369(17) 0.003460 342.5 369.4
359(17) 0.003460 342.5 369.3
352(17) 0.003460 342.5 369.4
348(16) 0.00391 342.5 369.5
363(17) 0.003460 342.5 369.7
369(17) 0.003460 342.6 370.1
373(17) 0.003460 342.6 370.7
364(17) 0.003460 342.6 371.6
351(17) 0.003460 342.6 372.7
377(17) 0.003460 342.7 374.1
377(17) 0.003460 342.7 375.8
372(17) 0.003460 342.7 377.8
362(17) 0.003460 342.7 380.1
362(17) 0.003460 342.8 382.7
391(17) 0.003460 342.8 385.4
410(18) 0.003086 342.8 388.3
406(18) 0.003086 342.8 391.2
395(18) 0.003086 342.8 394.1
397(18) 0.003086 342.9 397.0
388(17) 0.003460 342.9 399.6
432(18) 0.003086 342.9 402.0
427(18) 0.003086 342.9 404.2
408(18) 0.003086 343.0 406.1
405(18) 0.003086 343.0 407.8
412(18) 0.003086 343.0 409.3
410(18) 0.003086 343.0 410.6
446(19) 0.002770 343.1 411.8
445(19) 0.002770 343.1 412.9
434(18) 0.003086 343.1 413.9
419(18) 0.003086 343.1 414.9
420(18) 0.003086 343.2 415.9
428(18) 0.003086 343.2 416.8
438(18) 0.003086 343.2 417.7
417(18) 0.003086 343.2 418.6
409(18) 0.003086 343.3 419.4
447(19) 0.002770 343.3 420.1
449(19) 0.002770 343.3 420.9
416(18) 0.003086 343.4 421.5
412(18) 0.003086 343.4 422.2
441(19) 0.002770 343.4 422.9
424(18) 0.003086 343.4 423.7
419(18) 0.003086 343.5 424.7
415(18) 0.003086 343.5 425.9
442(19) 0.002770 343.5 427.4
466(19) 0.002770 343.5 429.2
442(19) 0.002770 343.6 431.2
447(19) 0.002770 343.6 433.4
447(19) 0.002770 343.6 435.7
448(19) 0.002770 343.7 438.0
468(19) 0.002770 343.7 440.2
435(19) 0.002770 343.7 442.0
444(19) 0.002770 343.7 443.5
467(19) 0.002770 343.8 444.7
456(19) 0.002770 343.8 445.4
449(19) 0.002770 343.8 445.9
440(19) 0.002770 343.9 446.1
435(19) 0.002770 343.9 446.3
439(19) 0.002770 343.9 446.4
452(19) 0.002770 344.0 446.6
436(19) 0.002770 344.0 446.9
446(19) 0.002770 344.0 447.2
451(19) 0.002770 344.0 447.7
445(19) 0.002770 344.1 448.4
429(18) 0.003086 344.1 449.3
435(19) 0.002770 344.1 450.4
467(19) 0.002770 344.2 451.9
429(18) 0.003086 344.2 453.7
443(19) 0.002770 344.2 456.0
448(19) 0.002770 344.3 458.8
467(19) 0.002770 344.3 462.0
473(19) 0.002770 344.3 465.6
472(19) 0.002770 344.4 469.6
452(19) 0.002770 344.4 473.8
485(20) 0.002500 344.4 478.3
497(20) 0.002500 344.4 483.0
482(20) 0.002500 344.5 487.9
498(20) 0.002500 344.5 492.9
484(20) 0.002500 344.5 498.0
481(20) 0.002500 344.6 503.2
520(20) 0.002500 344.6 508.3
522(20) 0.002500 344.6 513.4
532(20) 0.002500 344.7 518.3
541(21) 0.002268 344.7 522.9
524(20) 0.002500 344.7 527.0
531(20) 0.002500 344.8 530.7
535(21) 0.002268 344.8 533.8
543(21) 0.002268 344.8 536.1
531(20) 0.002500 344.9 537.7
559(21) 0.002268 344.9 538.5
549(21) 0.002268 344.9 538.4
525(20) 0.002500 345.0 537.5
531(20) 0.002500 345.0 535.6
556(21) 0.002268 345.0 533.0
525(20) 0.002500 345.1 529.6
524(20) 0.002500 345.1 525.6
505(20) 0.002500 345.2 521.1
515(20) 0.002500 345.2 516.4
547(21) 0.002268 345.2 511.6
554(21) 0.002268 345.3 506.7
526(20) 0.002500 345.3 502.1
539(21) 0.002268 345.3 497.8
558(21) 0.002268 345.4 493.9
509(20) 0.002500 345.4 490.4
510(20) 0.002500 345.4 487.4
532(20) 0.002500 345.5 484.7
503(20) 0.002500 345.5 482.3
509(20) 0.002500 345.5 480.2
502(20) 0.002500 345.6 478.2
530(20) 0.002500 345.6 476.2
511(20) 0.002500 345.7 474.2
490(20) 0.002500 345.7 472.1
502(20) 0.002500 345.7 469.9
504(20) 0.002500 345.8 467.5
508(20) 0.002500 345.8 464.8
467(19) 0.002770 345.8 462.0
473(19) 0.002770 345.9 458.9
468(19) 0.002770 345.9 455.6
486(20) 0.002500 345.9 452.2
480(19) 0.002770 346.0 448.7
449(19) 0.002770 346.0 445.2
438(19) 0.002770 346.1 441.9
444(19) 0.002770 346.1 438.6
440(19) 0.002770 346.1 435.6
441(19) 0.002770 346.2 432.8
444(19) 0.002770 346.2 430.3
404(18) 0.003086 346.3 428.2
405(18) 0.003086 346.3 426.5
411(18) 0.003086 346.3 425.4
438(19) 0.002770 346.4 424.9
427(18) 0.003086 346.4 425.1
430(18) 0.003086 346.4 426.0
418(18) 0.003086 346.5 427.7
421(18) 0.003086 346.5 430.2
412(18) 0.003086 346.6 433.6
444(19) 0.002770 346.6 437.6
438(19) 0.002770 346.6 442.5
449(19) 0.002770 346.7 448.0
446(19) 0.002770 346.7 454.0
455(19) 0.002770 346.8 460.5
475(19) 0.002770 346.8 467.2
469(19) 0.002770 346.8 474.1
462(19) 0.002770 346.9 481.0
480(19) 0.002770 346.9 487.8
490(20) 0.002500 347.0 494.4
509(20) 0.002500 347.0 500.6
504(20) 0.002500 347.0 506.3
498(20) 0.002500 347.1 511.5
506(21) 0.002268 347.1 516.1
524(21) 0.002268 347.2 519.8
506(21) 0.002268 347.2 522.7
517(21) 0.002268 347.3 524.5
526(21) 0.002268 347.3 525.4
513(21) 0.002268 347.3 525.1
518(21) 0.002268 347.4 523.7
511(21) 0.002268 347.4 521.1
478(20) 0.002500 347.5 517.5
505(21) 0.002268 347.5 512.9
488(20) 0.002500 347.6 507.7
488(20) 0.002500 347.6 501.9
514(21) 0.002268 347.6 496.0
486(20) 0.002500 347.7 490.0
481(20) 0.002500 347.7 484.4
461(20) 0.002500 347.8 479.3
461(20) 0.002500 347.8 474.8
475(20) 0.002500 347.9 471.1
477(20) 0.002500 347.9 468.2
458(20) 0.002500 347.9 466.1
499(20) 0.002500 348.0 464.8
486(20) 0.002500 348.0 464.4
495(20) 0.002500 348.1 464.7
481(20) 0.002500 348.1 465.5
460(20) 0.002500 348.2 466.8
453(20) 0.002500 348.2 468.4
489(20) 0.002500 348.3 470.1
515(21) 0.002268 348.3 471.6
516(21) 0.002268 348.3 472.8
483(20) 0.002500 348.4 473.4
485(20) 0.002500 348.4 473.2
440(19) 0.002770 348.5 472.2
479(20) 0.002500 348.5 470.3
479(20) 0.002500 348.6 467.5
472(20) 0.002500 348.6 463.9
463(20) 0.002500 348.7 459.5
492(20) 0.002500 348.7 454.7
451(19) 0.002770 348.8 449.4
456(20) 0.002500 348.8 443.9
427(19) 0.002770 348.8 438.3
400(18) 0.003086 348.9 432.7
416(19) 0.002770 348.9 427.3
405(19) 0.002770 349.0 422.1
394(18) 0.003086 349.0 417.2
397(18) 0.003086 349.1 412.7
435(19) 0.002770 349.1 408.6
410(19) 0.002770 349.2 405.0
406(19) 0.002770 349.2 401.9
390(18) 0.003086 349.3 399.3
407(19) 0.002770 349.3 397.1
405(19) 0.002770 349.4 395.5
385(18) 0.003086 349.4 394.3
386(18) 0.003086 349.5 393.4
381(18) 0.003086 349.5 392.9
399(18) 0.003086 349.6 392.8
379(18) 0.003086 349.6 392.8
390(18) 0.003086 349.7 393.0
377(18) 0.003086 349.7 393.3
380(18) 0.003086 349.7 393.7
365(18) 0.003086 349.8 394.2
382(18) 0.003086 349.8 394.6
401(18) 0.003086 349.9 395.0
376(18) 0.003086 349.9 395.4
401(18) 0.003086 350.0 395.7
389(18) 0.003086 350.0 396.0
377(18) 0.003086 350.1 396.3
400(18) 0.003086 350.1 396.6
398(18) 0.003086 350.2 397.1
419(19) 0.002770 350.2 397.7
399(18) 0.003086 350.3 398.4
394(18) 0.003086 350.3 399.5
381(18) 0.003086 350.4 400.7
392(18) 0.003086 350.4 402.3
405(19) 0.002770 350.5 404.2
381(18) 0.003086 350.6 406.4
395(18) 0.003086 350.6 408.9
384(18) 0.003086 350.7 411.7
408(19) 0.002770 350.7 414.7
397(18) 0.003086 350.8 417.9
425(19) 0.002770 350.8 421.2
392(18) 0.003086 350.9 424.6
418(19) 0.002770 350.9 428.0
418(19) 0.002770 351.0 431.2
437(19) 0.002770 351.0 434.1
448(19) 0.002770 351.1 436.8
452(20) 0.002500 351.1 439.0
425(19) 0.002770 351.2 440.8
426(19) 0.002770 351.2 442.2
438(19) 0.002770 351.3 443.1
435(19) 0.002770 351.3 443.6
440(19) 0.002770 351.4 443.7
430(19) 0.002770 351.4 443.5
466(20) 0.002500 351.5 443.0
443(19) 0.002770 351.5 442.3
429(19) 0.002770 351.6 441.4
434(19) 0.002770 351.7 440.3
442(19) 0.002770 351.7 439.0
449(19) 0.002770 351.8 437.7
401(18) 0.003086 351.8 436.3
448(16) 0.00391 351.9 435.0
425(19) 0.002770 351.9 433.6
410(19) 0.002770 352.0 432.2
424(19) 0.002770 352.0 430.9
450(20) 0.002500 352.1 429.5
408(19) 0.002770 352.1 428.2
440(20) 0.002500 352.2 426.9
417(19) 0.002770 352.3 425.5
412(19) 0.002770 352.3 423.9
406(19) 0.002770 352.4 422.3
409(19) 0.002770 352.4 420.6
386(18) 0.003086 352.5 418.7
418(19) 0.002770 352.5 416.8
444(20) 0.002500 352.6 414.8
423(19) 0.002770 352.7 412.9
450(20) 0.002500 352.7 411.0
409(19) 0.002770 352.8 409.3
380(18) 0.003086 352.8 407.8
393(19) 0.002770 352.9 406.5
381(18) 0.003086 352.9 405.5
412(19) 0.002770 353.0 404.8
399(19) 0.002770 353.0 404.5
393(19) 0.002770 353.1 404.5
400(19) 0.002770 353.2 404.9
386(18) 0.003086 353.2 405.7
372(18) 0.003086 353.3 406.8
389(19) 0.002770 353.3 408.2
446(20) 0.002500 353.4 409.9
441(20) 0.002500 353.5 411.8
423(19) 0.002770 353.5 414.0
398(19) 0.002770 353.6 416.3
448(20) 0.002500 353.6 418.7
416(19) 0.002770 353.7 421.2
449(20) 0.002500 353.7 423.7
410(19) 0.002770 353.8 426.1
429(19) 0.002770 353.9 428.3
419(19) 0.002770 353.9 430.5
445(20) 0.002500 354.0 432.5
436(20) 0.002500 354.0 434.3
411(19) 0.002770 354.1 435.9
473(20) 0.002500 354.2 437.3
425(19) 0.002770 354.2 438.5
426(19) 0.002770 354.3 439.5
434(20) 0.002500 354.3 440.3
448(20) 0.002500 354.4 440.8
459(20) 0.002500 354.5 441.1
455(20) 0.002500 354.5 441.1
466(20) 0.002500 354.6 440.9
421(19) 0.002770 354.7 440.5
454(20) 0.002500 354.7 439.9
456(20) 0.002500 354.8 439.1
413(19) 0.002770 354.8 438.2
443(20) 0.002500 354.9 437.1
446(20) 0.002500 355.0 436.1
474(20) 0.002500 355.0 435.0
402(19) 0.002770 355.1 434.0
451(20) 0.002500 355.1 433.2
431(19) 0.002770 355.2 432.6
433(20) 0.002500 355.3 432.1
410(19) 0.002770 355.3 431.9
450(20) 0.002500 355.4 431.9
424(19) 0.002770 355.5 432.1
438(20) 0.002500 355.5 432.5
415(19) 0.002770 355.6 433.1
432(20) 0.002500 355.6 433.7
429(19) 0.002770 355.7 434.5
472(20) 0.002500 355.8 435.2
462(20) 0.002500 355.8 435.9
434(20) 0.002500 355.9 436.5
436(20) 0.002500 356.0 437.0
420(19) 0.002770 356.0 437.3
449(20) 0.002500 356.1 437.4
478(20) 0.002500 356.2 437.3
446(20) 0.002500 356.2 436.9
438(20) 0.002500 356.3 436.3
418(19) 0.002770 356.3 435.5
479(21) 0.002268 356.4 434.4
430(19) 0.002770 356.5 433.2
427(19) 0.002770 356.5 431.8
452(20) 0.002500 356.6 430.3
429(19) 0.002770 356.7 428.8
426(19) 0.002770 356.7 427.2
437(20) 0.002500 356.8 425.6
401(19) 0.002770 356.9 424.2
430(19) 0.002770 356.9 422.8
458(20) 0.002500 357.0 421.6
430(19) 0.002770 357.1 420.6
416(19) 0.002770 357.1 419.9
446(20) 0.002500 357.2 419.4
414(19) 0.002770 357.3 419.2
419(19) 0.002770 357.3 419.4
420(19) 0.002770 357.4 419.9
397(19) 0.002770 357.5 420.8
428(19) 0.002770 357.5 422.0
426(19) 0.002770 357.6 423.6
382(18) 0.003086 357.7 425.6
403(19) 0.002770 357.7 427.9
424(19) 0.002770 357.8 430.5
455(20) 0.002500 357.9 433.4
433(20) 0.002500 357.9 436.6
429(19) 0.002770 358.0 440.0
442(19) 0.002770 358.1 443.5
443(19) 0.002770 358.1 447.1
488(20) 0.002500 358.2 450.7
428(19) 0.002770 358.3 454.2
455(19) 0.002770 358.3 457.6
424(19) 0.002770 358.4 460.8
450(19) 0.002770 358.5 463.7
464(19) 0.002770 358.5 466.2
463(19) 0.002770 358.6 468.3
436(19) 0.002770 358.7 469.9
463(19) 0.002770 358.7 471.0
485(20) 0.002500 358.8 471.5
461(19) 0.002770 358.9 471.5
461(19) 0.002770 358.9 471.0
467(19) 0.002770 359.0 470.1
458(19) 0.002770 359.1 468.8
458(19) 0.002770 359.1 467.1
475(20) 0.002500 359.2 465.3
473(20) 0.002500 359.3 463.3
449(19) 0.002770 359.3 461.3
471(20) 0.002500 359.4 459.3
433(19) 0.002770 359.5 457.4
422(19) 0.002770 359.5 455.8
444(19) 0.002770 359.6 454.3
431(19) 0.002770 359.7 453.1
480(20) 0.002500 359.8 452.2
438(19) 0.002770 359.8 451.6
488(20) 0.002500 359.9 451.3
452(19) 0.002770 360.0 451.3
448(19) 0.002770 360.0 451.5
471(20) 0.002500 360.1 452.0
452(19) 0.002770 360.2 452.6
444(19) 0.002770 360.2 453.3
436(19) 0.002770 360.3 454.0
447(19) 0.002770 360.4 454.7
464(19) 0.002770 360.4 455.3
449(19) 0.002770 360.5 455.8
451(19) 0.002770 360.6 456.0
442(19) 0.002770 360.6 455.9
428(19) 0.002770 360.7 455.6
447(19) 0.002770 360.8 455.1
456(19) 0.002770 360.9 454.3
478(20) 0.002500 360.9 453.2
486(20) 0.002500 361.0 452.0
444(19) 0.002770 361.1 450.6
435(19) 0.002770 361.1 449.1
481(20) 0.002500 361.2 447.5
437(19) 0.002770 361.3 445.9
440(19) 0.002770 361.3 444.2
439(19) 0.002770 361.4 442.7
405(18) 0.003086 361.5 441.2
438(19) 0.002770 361.5 440.0
396(18) 0.003086 361.6 438.9
416(18) 0.003086 361.7 438.0
421(19) 0.002770 361.8 437.5
470(20) 0.002500 361.8 437.2
439(19) 0.002770 361.9 437.3
447(19) 0.002770 362.0 437.7
456(19) 0.002770 362.0 438.5
437(19) 0.002770 362.1 439.6
416(18) 0.003086 362.2 441.0
430(19) 0.002770 362.2 442.7
464(19) 0.002770 362.3 444.7
444(19) 0.002770 362.4 446.9
466(19) 0.002770 362.4 449.3
463(19) 0.002770 362.5 451.9
433(19) 0.002770 362.6 454.6
448(19) 0.002770 362.7 457.3
449(19) 0.002770 362.7 460.1
485(20) 0.002500 362.8 462.8
481(20) 0.002500 362.9 465.4
442(19) 0.002770 362.9 467.9
471(20) 0.002500 363.0 470.3
483(20) 0.002500 363.1 472.6
503(20) 0.002500 363.1 474.8
450(19) 0.002770 363.2 476.8
488(20) 0.002500 363.3 478.8
490(20) 0.002500 363.3 480.7
484(20) 0.002500 363.4 482.4
540(21) 0.002268 363.5 484.2
515(20) 0.002500 363.5 485.8
512(20) 0.002500 363.6 487.4
513(20) 0.002500 363.7 488.9
531(21) 0.002268 363.7 490.3
482(20) 0.002500 363.8 491.6
473(20) 0.002500 363.9 492.8
505(20) 0.002500 363.9 493.9
506(20) 0.002500 364.0 494.8
523(21) 0.002268 364.1 495.7
509(20) 0.002500 364.1 496.3
497(20) 0.002500 364.2 496.8
517(20) 0.002500 364.3 497.2
518(20) 0.002500 364.3 497.3
518(20) 0.002500 364.4 497.2
510(20) 0.002500 364.5 497.0
554(21) 0.002268 364.5 496.6
541(21) 0.002268 364.6 496.2
509(20) 0.002500 364.7 495.6
480(20) 0.002500 364.7 495.1
504(29) 0.001189 364.8 494.6
498(20) 0.002500 364.9 494.3
508(20) 0.002500 364.9 494.1
496(20) 0.002500 365.0 494.1
486(20) 0.002500 365.1 494.4
519(20) 0.002500 365.1 495.1
497(20) 0.002500 365.2 496.1
520(20) 0.002500 365.3 497.4
488(20) 0.002500 365.3 499.1
521(20) 0.002500 365.4 501.2
517(20) 0.002500 365.5 503.6
533(20) 0.002500 365.5 506.4
491(20) 0.002500 365.6 509.5
510(20) 0.002500 365.7 512.8
505(20) 0.002500 365.7 516.4
547(21) 0.002268 365.8 520.1
478(19) 0.002770 365.8 523.8
544(21) 0.002268 365.9 527.6
522(20) 0.002500 366.0 531.3
536(20) 0.002500 366.0 534.8
529(20) 0.002500 366.1 538.0
522(20) 0.002500 366.2 540.8
551(21) 0.002268 366.2 543.1
526(20) 0.002500 366.3 544.9
547(21) 0.002268 366.3 546.1
539(21) 0.002268 366.4 546.7
563(21) 0.002268 366.5 546.6
543(21) 0.002268 366.5 545.9
528(20) 0.002500 366.6 544.6
524(20) 0.002500 366.7 542.8
518(20) 0.002500 366.7 540.5
489(20) 0.002500 366.8 537.8
520(20) 0.002500 366.8 534.8
523(20) 0.002500 366.9 531.5
506(20) 0.002500 367.0 528.0
484(19) 0.002770 367.0 524.4
499(20) 0.002500 367.1 520.7
499(20) 0.002500 367.1 517.0
514(20) 0.002500 367.2 513.2
551(21) 0.002268 367.2 509.6
529(20) 0.002500 367.3 506.0
500(20) 0.002500 367.4 502.5
474(19) 0.002770 367.4 499.1
478(19) 0.002770 367.5 495.9
499(20) 0.002500 367.5 492.9
491(20) 0.002500 367.6 490.0
472(19) 0.002770 367.6 487.4
482(19) 0.002770 367.7 484.9
493(20) 0.002500 367.8 482.8
476(19) 0.002770 367.8 480.9
490(20) 0.002500 367.9 479.3
498(20) 0.002500 367.9 477.9
490(20) 0.002500 368.0 476.9
477(19) 0.002770 368.0 476.1
497(20) 0.002500 368.1 475.6
516(20) 0.002500 368.1 475.3
517(20) 0.002500 368.2 475.2
469(19) 0.002770 368.2 475.4
465(19) 0.002770 368.3 475.8
488(20) 0.002500 368.3 476.3
490(20) 0.002500 368.4 476.9
489(20) 0.002500 368.4 477.6
491(20) 0.002500 368.5 478.3
494(20) 0.002500 368.5 479.0
505(20) 0.002500 368.6 479.7
503(20) 0.002500 368.6 480.3
492(20) 0.002500 368.7 480.8
502(20) 0.002500 368.7 481.2
499(20) 0.002500 368.8 481.4
530(20) 0.002500 368.8 481.4
484(19) 0.002770 368.9 481.2
469(19) 0.002770 368.9 480.8
496(20) 0.002500 369.0 480.3
519(20) 0.002500 369.0 479.7
465(19) 0.002770 369.1 478.9
486(20) 0.002500 369.1 478.1
502(20) 0.002500 369.2 477.2
513(20) 0.002500 369.2 476.3
504(20) 0.002500 369.2 475.4
493(20) 0.002500 369.3 474.6
482(19) 0.002770 369.3 473.8
497(20) 0.002500 369.4 473.2
477(19) 0.002770 369.4 472.6
462(19) 0.002770 369.5 472.1
489(20) 0.002500 369.5 471.8
497(20) 0.002500 369.5 471.6
503(20) 0.002500 369.6 471.4
480(19) 0.002770 369.6 471.4
460(19) 0.002770 369.7 471.4
450(19) 0.002770 369.7 471.5
480(19) 0.002770 369.7 471.6
471(19) 0.002770 369.8 471.8
464(19) 0.002770 369.8 472.0
478(19) 0.002770 369.8 472.1
444(19) 0.002770 369.9 472.2
459(19) 0.002770 369.9 472.3
466(19) 0.002770 370.0 472.3
475(19) 0.002770 370.0 472.2
467(19) 0.002770 370.0 472.1
450(19) 0.002770 370.1 471.9
482(16) 0.00391 370.1 471.5
497(20) 0.002500 370.1 471.0
493(20) 0.002500 370.2 470.5
480(19) 0.002770 370.2 469.7
490(20) 0.002500 370.2 468.9
470(19) 0.002770 370.3 467.9
452(19) 0.002770 370.3 466.8
471(19) 0.002770 370.3 465.6
468(19) 0.002770 370.3 464.2
472(19) 0.002770 370.4 462.7
468(19) 0.002770 370.4 461.1
452(19) 0.002770 370.4 459.3
464(19) 0.002770 370.5 457.5
427(18) 0.003086 370.5 455.5
475(19) 0.002770 370.5 453.5
474(19) 0.002770 370.5 451.3
435(18) 0.003086 370.6 449.1
459(19) 0.002770 370.6 446.9
464(19) 0.002770 370.6 444.6
456(19) 0.002770 370.6 442.4
415(18) 0.003086 370.7 440.1
446(19) 0.002770 370.7 437.9
481(19) 0.002770 370.7 435.7
441(19) 0.002770 370.7 433.5
418(18) 0.003086 370.7 431.4
440(19) 0.002770 370.8 429.4
435(18) 0.003086 370.8 427.5
425(18) 0.003086 370.8 425.7
437(19) 0.002770 370.8 424.0
411(18) 0.003086 370.8 422.4
415(18) 0.003086 370.8 420.9
389(18) 0.003086 370.9 419.5
410(18) 0.003086 370.9 418.1
417(18) 0.003086 370.9 416.9
437(19) 0.002770 370.9 415.8
408(18) 0.003086 370.9 414.8
406(18) 0.003086 370.9 413.9
417(18) 0.003086 370.9 413.0
413(18) 0.003086 371.0 412.2
398(18) 0.003086 371.0 411.5
385(17) 0.003460 371.0 410.9
403(18) 0.003086 371.0 410.4
390(18) 0.003086 371.0 409.9
399(18) 0.003086 371.0 409.4
402(18) 0.003086 371.0 409.1
416(18) 0.003086 371.0 408.7
410(18) 0.003086 371.0 408.4
382(17) 0.003460 371.0 408.2
390(18) 0.003086 371.0 408.0
389(18) 0.003086 371.0 407.8
378(17) 0.003460 371.0 407.7
380(17) 0.003460 371.0 407.6
375(17) 0.003460 371.0 407.5
372(17) 0.003460 371.0 407.5
395(18) 0.003086 371.0 407.5
395(18) 0.003086 371.0 407.5
438(19) 0.002770 371.0 407.7
406(18) 0.003086 371.0 407.8
393(18) 0.003086 371.0 408.0
401(18) 0.003086 371.0 408.3
377(17) 0.003460 371.0 408.7
376(17) 0.003460 371.0 409.1
402(18) 0.003086 371.0 409.6
380(17) 0.003460 371.0 410.1
396(18) 0.003086 371.0 410.8
409(18) 0.003086 371.0 411.5
406(18) 0.003086 371.0 412.3
420(18) 0.003086 371.0 413.2
420(18) 0.003086 371.0 414.1
414(18) 0.003086 371.0 415.2
400(18) 0.003086 371.0 416.3
417(18) 0.003086 371.0 417.5
407(18) 0.003086 371.0 418.7
383(17) 0.003460 370.9 420.0
408(18) 0.003086 370.9 421.4
415(18) 0.003086 370.9 422.8
427(18) 0.003086 370.9 424.2
427(18) 0.003086 370.9 425.7
436(19) 0.002770 370.9 427.1
414(18) 0.003086 370.9 428.6
405(18) 0.003086 370.8 430.1
416(18) 0.003086 370.8 431.6
433(18) 0.003086 370.8 433.0
424(18) 0.003086 370.8 434.4
410(18) 0.003086 370.8 435.8
412(18) 0.003086 370.8 437.1
434(18) 0.003086 370.7 438.4
431(18) 0.003086 370.7 439.6
435(18) 0.003086 370.7 440.8
443(19) 0.002770 370.7 441.9
415(18) 0.003086 370.7 443.0
428(18) 0.003086 370.6 444.0
441(19) 0.002770 370.6 444.9
446(19) 0.002770 370.6 445.9
447(19) 0.002770 370.6 446.8
416(18) 0.003086 370.5 447.7
419(18) 0.003086 370.5 448.6
442(19) 0.002770 370.5 449.5
425(18) 0.003086 370.5 450.5
428(18) 0.003086 370.4 451.6
458(19) 0.002770 370.4 452.7
467(19) 0.002770 370.4 453.9
468(19) 0.002770 370.3 455.1
459(19) 0.002770 370.3 456.5
449(19) 0.002770 370.3 458.0
476(20) 0.002500 370.3 459.6
467(19) 0.002770 370.2 461.2
484(20) 0.002500 370.2 463.0
488(20) 0.002500 370.2 464.8
449(19) 0.002770 370.1 466.7
458(19) 0.002770 370.1 468.7
469(19) 0.002770 370.1 470.7
456(19) 0.002770 370.0 472.7
453(19) 0.002770 370.0 474.7
464(19) 0.002770 369.9 476.7
443(19) 0.002770 369.9 478.6
467(19) 0.002770 369.9 480.5
500(20) 0.002500 369.8 482.2
498(20) 0.002500 369.8 483.8
468(19) 0.002770 369.8 485.3
473(20) 0.002500 369.7 486.6
497(20) 0.002500 369.7 487.8
491(20) 0.002500 369.6 488.7
542(21) 0.002268 369.6 489.5
479(20) 0.002500 369.6 490.0
488(20) 0.002500 369.5 490.4
485(20) 0.002500 369.5 490.7
498(20) 0.002500 369.4 490.7
504(20) 0.002500 369.4 490.6
488(20) 0.002500 369.4 490.4
492(20) 0.002500 369.3 490.1
504(20) 0.002500 369.3 489.7
495(20) 0.002500 369.2 489.2
508(20) 0.002500 369.2 488.6
471(19) 0.002770 369.1 488.0
490(20) 0.002500 369.1 487.3
489(20) 0.002500 369.1 486.6
479(20) 0.002500 369.0 485.9
506(20) 0.002500 369.0 485.2
480(20) 0.002500 368.9 484.5
511(20) 0.002500 368.9 483.7
501(20) 0.002500 368.8 483.0
481(20) 0.002500 368.8 482.2
485(20) 0.002500 368.7 481.4
488(20) 0.002500 368.7 480.6
499(20) 0.002500 368.6 479.7
481(20) 0.002500 368.6 478.9
486(20) 0.002500 368.6 478.0
489(20) 0.002500 368.5 477.2
503(20) 0.002500 368.5 476.3
507(20) 0.002500 368.4 475.5
505(20) 0.002500 368.4 474.7
481(20) 0.002500 368.3 473.9
479(20) 0.002500 368.3 473.2
508(20) 0.002500 368.2 472.6
513(20) 0.002500 368.2 472.0
480(20) 0.002500 368.1 471.6
474(20) 0.002500 368.1 471.2
473(20) 0.002500 368.0 471.0
486(20) 0.002500 368.0 470.8
492(20) 0.002500 367.9 470.8
481(20) 0.002500 367.9 471.0
468(19) 0.002770 367.9 471.2
481(20) 0.002500 367.8 471.6
481(20) 0.002500 367.8 472.0
460(19) 0.002770 367.7 472.6
472(20) 0.002500 367.7 473.3
481(20) 0.002500 367.6 474.0
500(20) 0.002500 367.6 474.9
515(20) 0.002500 367.5 475.8
506(20) 0.002500 367.5 476.7
473(20) 0.002500 367.4 477.7
491(20) 0.002500 367.4 478.7
489(20) 0.002500 367.4 479.6
494(20) 0.002500 367.3 480.6
469(19) 0.002770 367.3 481.5
461(19) 0.002770 367.2 482.3
463(19) 0.002770 367.2 483.1
502(20) 0.002500 367.1 483.8
506(20) 0.002500 367.1 484.3
456(19) 0.002770 367.1 484.7
495(20) 0.002500 367.0 485.0
481(20) 0.002500 367.0 485.2
513(20) 0.002500 366.9 485.1
487(20) 0.002500 366.9 484.9
504(20) 0.002500 366.9 484.6
512(20) 0.002500 366.8 484.1
486(20) 0.002500 366.8 483.4
482(20) 0.002500 366.8 482.6
491(20) 0.002500 366.7 481.7
473(20) 0.002500 366.7 480.7
485(20) 0.002500 366.7 479.5
483(20) 0.002500 366.6 478.3
495(20) 0.002500 366.6 476.9
491(20) 0.002500 366.6 475.6
481(20) 0.002500 366.5 474.1
491(20) 0.002500 366.5 472.7
487(20) 0.002500 366.5 471.2
487(20) 0.002500 366.5 469.7
469(19) 0.002770 366.4 468.3
440(19) 0.002770 366.4 466.8
463(19) 0.002770 366.4 465.4
463(19) 0.002770 366.4 464.0
459(19) 0.002770 366.4 462.7
454(19) 0.002770 366.3 461.4
460(19) 0.002770 366.3 460.2
464(19) 0.002770 366.3 459.1
473(20) 0.002500 366.3 458.0
474(20) 0.002500 366.3 457.0
467(20) 0.002500 366.3 456.2
459(19) 0.002770 366.3 455.4
444(19) 0.002770 366.3 454.6
439(19) 0.002770 366.3 454.0
461(19) 0.002770 366.3 453.4
450(19) 0.002770 366.2 453.0
439(19) 0.002770 366.2 452.6
446(19) 0.002770 366.2 452.2
453(19) 0.002770 366.3 451.9
459(19) 0.002770 366.3 451.7
449(19) 0.002770 366.3 451.5
459(19) 0.002770 366.3 451.4
485(20) 0.002500 366.3 451.3
483(20) 0.002500 366.3 451.2
459(19) 0.002770 366.3 451.1
451(19) 0.002770 366.3 451.0
435(19) 0.002770 366.4 450.9
432(19) 0.002770 366.4 450.8
440(19) 0.002770 366.4 450.7
431(19) 0.002770 366.4 450.6
433(19) 0.002770 366.5 450.4
436(19) 0.002770 366.5 450.2
428(19) 0.002770 366.5 450.0
434(19) 0.002770 366.6 449.7
447(19) 0.002770 366.6 449.3
428(19) 0.002770 366.6 448.9
440(19) 0.002770 366.7 448.4
452(19) 0.002770 366.7 447.9
428(19) 0.002770 366.8 447.3
434(19) 0.002770 366.8 446.6
445(19) 0.002770 366.9 445.8
438(19) 0.002770 367.0 445.0
435(19) 0.002770 367.0 444.1
436(19) 0.002770 367.1 443.1
428(19) 0.002770 367.2 442.1
427(19) 0.002770 367.2 441.1
427(19) 0.002770 367.3 440.0
438(19) 0.002770 367.4 438.9
450(19) 0.002770 367.5 437.7
453(19) 0.002770 367.6 436.6
444(19) 0.002770 367.6 435.5
424(19) 0.002770 367.7 434.4
434(19) 0.002770 367.8 433.3
434(19) 0.002770 367.9 432.2
419(19) 0.002770 368.0 431.2
443(19) 0.002770 368.2 430.3
430(19) 0.002770 368.3 429.4
444(19) 0.002770 368.4 428.5
425(19) 0.002770 368.5 427.8
411(18) 0.003086 368.6 427.1
433(19) 0.002770 368.8 426.4
445(19) 0.002770 368.9 425.9
447(19) 0.002770 369.0 425.5
429(19) 0.002770 369.2 425.1
427(19) 0.002770 369.3 424.8
425(19) 0.002770 369.5 424.7
423(19) 0.002770 369.7 424.6
435(19) 0.002770 369.8 424.6
438(19) 0.002770 370.0 424.7
420(19) 0.002770 370.2 424.9
408(18) 0.003086 370.3 425.2
414(18) 0.003086 370.5 425.5
425(19) 0.002770 370.7 426.0
429(19) 0.002770 370.9 426.5
404(18) 0.003086 371.1 427.1
434(19) 0.002770 371.3 427.8
435(19) 0.002770 371.5 428.5
439(19) 0.002770 371.7 429.3
423(19) 0.002770 372.0 430.2
419(19) 0.002770 372.2 431.1
430(19) 0.002770 372.4 432.0
423(19) 0.002770 372.7 433.0
442(19) 0.002770 372.9 434.1
451(19) 0.002770 373.2 435.1
433(19) 0.002770 373.4 436.2
448(19) 0.002770 373.7 437.4
462(19) 0.002770 374.0 438.5
447(19) 0.002770 374.3 439.7
442(19) 0.002770 374.6 440.8
451(19) 0.002770 374.8 442.0
439(19) 0.002770 375.1 443.2
427(19) 0.002770 375.5 444.4
426(19) 0.002770 375.8 445.6
461(19) 0.002770 376.1 446.8
464(19) 0.002770 376.4 448.0
449(19) 0.002770 376.8 449.2
439(19) 0.002770 377.1 450.4
430(19) 0.002770 377.5 451.6
446(19) 0.002770 377.8 452.8
459(19) 0.002770 378.2 454.0
444(19) 0.002770 378.6 455.2
448(16) 0.00391 379.0 456.4
457(19) 0.002770 379.4 457.6
450(19) 0.002770 379.8 458.8
462(20) 0.002500 380.2 460.0
473(20) 0.002500 380.6 461.2
468(20) 0.002500 381.0 462.4
475(20) 0.002500 381.5 463.5
488(20) 0.002500 381.9 464.7
488(20) 0.002500 382.4 465.8
472(20) 0.002500 382.8 466.9
449(19) 0.002770 383.3 468.0
443(19) 0.002770 383.8 469.1
457(19) 0.002770 384.3 470.2
481(20) 0.002500 384.8 471.2
481(20) 0.002500 385.3 472.2
479(20) 0.002500 385.8 473.2
463(20) 0.002500 386.4 474.1
468(20) 0.002500 386.9 475.0
495(20) 0.002500 387.5 475.8
473(20) 0.002500 388.0 476.6
464(20) 0.002500 388.6 477.3
474(20) 0.002500 389.2 478.0
495(20) 0.002500 389.8 478.7
490(20) 0.002500 390.4 479.3
482(20) 0.002500 391.0 479.8
475(20) 0.002500 391.7 480.3
458(19) 0.002770 392.3 480.8
478(20) 0.002500 393.0 481.2
490(20) 0.002500 393.6 481.6
486(20) 0.002500 394.3 481.9
489(20) 0.002500 395.0 482.2
480(20) 0.002500 395.7 482.5
480(20) 0.002500 396.4 482.8
482(20) 0.002500 397.2 483.1
486(20) 0.002500 397.9 483.4
497(20) 0.002500 398.7 483.6
487(20) 0.002500 399.4 483.9
485(20) 0.002500 400.2 484.2
498(20) 0.002500 401.0 484.5
489(20) 0.002500 401.8 484.8
485(20) 0.002500 402.6 485.2
470(20) 0.002500 403.5 485.6
471(20) 0.002500 404.3 486.0
482(20) 0.002500 405.2 486.4
473(20) 0.002500 406.1 486.9
465(20) 0.002500 407.0 487.4
472(20) 0.002500 407.9 487.9
474(20) 0.002500 408.8 488.5
481(20) 0.002500 409.8 489.1
489(20) 0.002500 410.7 489.8
489(20) 0.002500 411.7 490.5
498(20) 0.002500 412.7 491.2
508(20) 0.002500 413.7 491.9
493(20) 0.002500 414.7 492.7
486(20) 0.002500 415.8 493.5
500(20) 0.002500 416.8 494.3
525(21) 0.002268 417.9 495.1
524(21) 0.002268 419.0 495.9
507(20) 0.002500 420.1 496.8
499(20) 0.002500 421.2 497.6
488(20) 0.002500 422.4 498.5
485(20) 0.002500 423.5 499.4
505(20) 0.002500 424.7 500.2
509(20) 0.002500 425.9 501.1
510(20) 0.002500 427.1 502.0
500(20) 0.002500 428.3 502.8
492(20) 0.002500 429.6 503.7
512(20) 0.002500 430.9 504.6
517(21) 0.002268 432.2 505.4
508(20) 0.002500 433.5 506.3
489(20) 0.002500 434.8 507.2
508(20) 0.002500 436.2 508.0
528(21) 0.002268 437.5 508.9
523(21) 0.002268 438.9 509.8
526(21) . . .
511(20) . . .
506(20) . . .
532(21) . . .
541(21) . . .
531(21) . . .
506(20) . . .
515(21) . . .
539(21) . . .
536(21) . . .
527(21) . . .
523(21) . . .
525(21) . . .
514(21) . . .
509(20) . . .
509(20) . . .
513(21) . . .
530(21) . . .
541(21) . . .
555(21) . . .
554(21) . . .
534(21) . . .
508(20) . . .
514(21) . . .
508(20) . . .
520(21) . . .
533(21) . . .
527(21) . . .
537(22) . . .
533(21) . . .
518(21) . . .
546(22) . . .
524(21) . . .
502(21) . . .
514(21) . . .
551(22) . . .
525(21) . . .
512(21) . . .
551(22) . . .
546(22) . . .
552(22) . . .
538(22) . . .
533(21) . . .
537(22) . . .
549(22) . . .
567(22) . . .
543(22) . . .
549(22) . . .
554(22) . . .
574(22) . . .
548(22) . . .
553(22) . . .
546(22) . . .
529(21) . . .
534(21) . . .
536(21) . . .
542(22) . . .
573(22) . . .
584(22) . . .
576(22) . . .
566(22) . . .
551(22) . . .
543(22) . . .
541(22) . . .
514(21) . . .
546(22) . . .
595(23) . . .
594(23) . . .
582(22) . . .
568(22) . . .
584(22) . . .
601(23) . . .
600(23) . . .
601(23) . . .
589(22) . . .
590(22) . . .
579(22) . . .
565(22) . . .
590(22) . . .
589(22) . . .
617(23) . . .
583(22) . . .
567(22) . . .
617(23) . . .
604(23) . . .
598(23) . . .
587(22) . . .
607(23) . . .
596(23) . . .
614(23) . . .
635(23) . . .
611(23) . . .
616(23) . . .
618(23) . . .
631(23) . . .
602(23) . . .
629(23) . . .
644(23) . . .
631(23) . . .
624(23) . . .
635(23) . . .
625(23) . . .
664(24) . . .
664(24) . . .
652(24) . . .
669(24) . . .
680(24) . . .
628(23) . . .
650(24) . . .
670(24) . . .
653(24) . . .
649(23) . . .
668(24) . . .
683(24) . . .
681(24) . . .
652(24) . . .
695(24) . . .
722(25) . . .
693(24) . . .
709(24) . . .
723(25) . . .
751(25) . . .
730(25) . . .
685(24) . . .
666(24) . . .
700(24) . . .
711(35) . . .
758(36) . . .
750(36) . . .
692(35) . . .
723(36) . . .
758(36) . . .
744(36) . . .
722(36) . . .
755(36) . . .
732(36) . . .
761(36) . . .
754(36) . . .
745(36) . . .
817(38) . . .
762(36) . . .
774(37) . . .
769(37) . . .
739(36) . . .
744(36) . . .
725(36) . . .
781(37) . . .
813(38) . . .
796(37) . . .
780(37) . . .
826(38) . . .
750(36) . . .
727(36) . . .
789(37) . . .
768(37) . . .
731(36) . . .
797(37) . . .
762(36) . . .
792(37) . . .
821(38) . . .
809(37) . . .
746(36) . . .
787(37) . . .
801(37) . . .
858(38) . . .
817(38) . . .
867(39) . . .
806(37) . . .
845(38) . . .
840(38) . . .
859(38) . . .
795(37) . . .
863(39) . . .
848(38) . . .
858(38) . . .
802(37) . . .
862(39) . . .
826(38) . . .
821(38) . . .
828(38) . . .
839(38) . . .
849(38) . . .
826(38) . . .
848(38) . . .
866(39) . . .
833(38) . . .
816(38) . . .
820(38) . . .
902(39) . . .
908(39) . . .
822(38) . . .
856(38) . . .
854(38) . . .
906(39) . . .
915(40) . . .
907(39) . . .
920(40) . . .
859(38) . . .
873(39) . . .
927(40) . . .
915(40) . . .
855(38) . . .
812(38) . . .
907(39) . . .
858(38) . . .
912(40) . . .
895(39) . . .
879(39) . . .
899(39) . . .
890(39) . . .
863(39) . . .
968(41) . . .
867(39) . . .
948(40) . . .
924(40) . . .
911(40) . . .
894(39) . . .
868(39) . . .
835(38) . . .
918(40) . . .
922(40) . . .
987(41) . . .
906(39) . . .
893(39) . . .
870(39) . . .
954(40) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             815
_reflns_limit_h_min              0
_reflns_limit_h_max              25
_reflns_limit_k_min              -12
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.065
_reflns_d_resolution_low         13.163
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002996'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_0P5CO2_ZN_publ

_pd_block_id                     2014-01-16T16:13|0P5CO2_ZN||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-16T16:13
_audit_update_record             
; 2014-01-16T16:13  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.06
_refine_ls_shift/su_mean         0.03
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     60
_refine_ls_goodness_of_fit_all   1.04
_refine_ls_number_restraints     3
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10
_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.9140(17)
_cell_length_b                   25.914
_cell_length_c                   6.7986(6)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3953.8(5)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Zn Zn1 0.3836(8) 0.3546(9) 0.1436(22) 1.0 Uiso 0.029(5) 18
O O1 0.3281(6) 0.2966(7) 0.3751(25) 1.0 Uiso 0.0150(26) 18
O O2 0.3001(7) 0.2267(7) 0.6112(21) 1.0 Uiso 0.0150(26) 18
O O3 0.3537(8) 0.2743(8) 0.0166(24) 1.0 Uiso 0.0150(26) 18
C C1 0.3157(7) 0.2448(7) 0.4339(19) 1.0 Uiso 0.0162(18) 18
C C2 0.3270(7) 0.2064(6) 0.2837(18) 1.0 Uiso 0.0162(18) 18
C C3 0.3431(6) 0.2212(6) 0.0919(18) 1.0 Uiso 0.0162(18) 18
C C4 0.3525(7) 0.1841(8) -0.0356(19) 1.0 Uiso 0.0162(18) 18
H H 0.3609(14) 0.1910(14) -0.165(4) 1.0 Uiso 0.032(8) 18
O O2b 0.2289(29) 0.7660(29) 0.538(9) 0.535(16) Uiso 0.103(19) 18
C C2a 0.1815(18) 0.7242(16) 0.577(6) 0.535(16) Uiso 0.053(12) 18
O O2a 0.1356(15) 0.6853(12) 0.614(4) 0.535(16) Uiso 0.010(11) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.53 H O4.07 Zn'
_chemical_formula_weight         185.96
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 Zn1 2.997(21) . 103_554 N
Zn1 Zn1 2.997(21) . 202_555 N
Zn1 O1 2.155(21) . 1_555 N
Zn1 O1 2.064(20) . 103_554 N
Zn1 O2 1.954(22) . 202_554 N
Zn1 O3 2.016(24) . 1_555 N
Zn1 O3 1.987(24) . 202_555 N
Zn1 C1 2.812(21) . 202_554 N
Zn1 O2a 2.43(4) . 101_544 N
O1 Zn1 2.155(21) . 1_555 N
O1 Zn1 2.064(20) . 202_555 N
O1 O2 2.253(22) . 1_555 N
O1 C1 1.279(19) . 1_555 N
O2 Zn1 1.954(22) . 103_555 N
O2 O1 2.253(22) . 1_555 N
O2 C1 1.283(15) . 1_555 N
O3 Zn1 2.016(24) . 1_555 N
O3 Zn1 1.987(24) . 103_554 N
O3 C2 2.378(21) . 1_555 N
O3 C3 1.361(22) . 1_555 N
O3 C4 2.348(24) . 1_555 N
C1 Zn1 2.812(21) . 103_555 N
C1 O1 1.279(19) . 1_555 N
C1 O2 1.283(15) . 1_555 N
C1 C2 1.553(20) . 1_555 N
C2 O3 2.378(21) . 1_555 N
C2 C1 1.553(20) . 1_555 N
C2 C3 1.364(16) . 1_555 N
C3 O3 1.361(22) . 1_555 N
C3 C2 1.364(16) . 1_555 N
C3 C4 1.403(18) . 1_555 N
C4 O3 2.348(24) . 1_555 N
C4 C3 1.403(18) . 1_555 N
C4 H 0.902(34) . 1_555 N
H C4 0.902(34) . 1_555 N
O2b C2a 1.19(6) . 1_555 N
O2b O2a 2.33(7) . 1_555 N
C2a O2b 1.19(6) . 1_555 N
C2a O2a 1.14(4) . 1_555 N
O2a Zn1 2.43(4) . 201_455 N
O2a O2b 2.33(7) . 1_555 N
O2a C2a 1.14(4) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Zn1 Zn1 Zn1 111.0(7) 103_554 . 202_555 N
Zn1 Zn1 O1 96.3(10) 103_554 . 1_555 N
Zn1 Zn1 O1 46.0(6) 103_554 . 103_554 N
Zn1 Zn1 O2 87.1(6) 103_554 . 202_554 N
Zn1 Zn1 O3 41.2(8) 103_554 . 1_555 N
Zn1 Zn1 O3 141.8(12) 103_554 . 202_555 N
Zn1 Zn1 O2a 128.6(12) 103_554 . 101_544 N
Zn1 Zn1 O1 43.5(5) 202_555 . 1_555 N
Zn1 Zn1 O1 70.1(8) 202_555 . 103_554 N
Zn1 Zn1 O2 138.7(13) 202_555 . 202_554 N
Zn1 Zn1 O3 117.5(9) 202_555 . 1_555 N
Zn1 Zn1 O3 41.9(8) 202_555 . 202_555 N
Zn1 Zn1 O2a 108.2(8) 202_555 . 101_544 N
O1 Zn1 O1 81.1(7) 1_555 . 103_554 N
O1 Zn1 O2 174.7(14) 1_555 . 202_554 N
O1 Zn1 O3 79.3(8) 1_555 . 1_555 N
O1 Zn1 O3 78.3(9) 1_555 . 202_555 N
O1 Zn1 O2a 89.9(10) 1_555 . 101_544 N
O1 Zn1 O2 104.2(11) 103_554 . 202_554 N
O1 Zn1 O3 79.8(9) 103_554 . 1_555 N
O1 Zn1 O3 96.1(10) 103_554 . 202_555 N
O1 Zn1 O2a 168.2(13) 103_554 . 101_544 N
O2 Zn1 O3 100.7(10) 202_554 . 1_555 N
O2 Zn1 O3 101.6(11) 202_554 . 202_555 N
O2 Zn1 O2a 84.8(11) 202_554 . 101_544 N
O3 Zn1 O3 157.6(12) 1_555 . 202_555 N
O3 Zn1 O2a 91.2(10) 1_555 . 101_544 N
O3 Zn1 O2a 89.3(11) 202_555 . 101_544 N
Zn1 O1 Zn1 90.5(7) 1_555 . 202_555 N
Zn1 O1 C1 133.7(17) 1_555 . 1_555 N
Zn1 O1 C1 135.5(15) 202_555 . 1_555 N
Zn1 O2 C1 119.1(13) 103_555 . 1_555 N
Zn1 O3 Zn1 96.9(12) 1_555 . 103_554 N
Zn1 O3 C3 131.4(13) 1_555 . 1_555 N
Zn1 O3 C3 124.4(15) 103_554 . 1_555 N
O1 C1 O2 123.1(17) 1_555 . 1_555 N
O1 C1 C2 116.0(15) 1_555 . 1_555 N
O2 C1 C2 120.6(13) 1_555 . 1_555 N
C1 C2 C3 125.3(15) 1_555 . 1_555 N
O3 C3 C2 121.5(16) 1_555 . 1_555 N
O3 C3 C4 116.3(14) 1_555 . 1_555 N
C2 C3 C4 122.1(14) 1_555 . 1_555 N
C3 C4 H 125.1(25) 1_555 . 1_555 N
O2b C2a O2a 178(6) 1_555 . 1_555 N
Zn1 O2a C2a 116.9(30) 201_455 . 1_555 N

# Powder diffraction data for histogram  7
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_0P5CO2_ZN_publ      
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        503 Ang3  
RESPONSE: At 0.5 CO2 per metal loading, this very porous materials remains significantly evacuated.
;
_vrf_PLAT341_0P5CO2_ZN_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0195 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Zn 18.0 0.5680 International_Tables_Vol_C
O 73.252 0.5803 International_Tables_Vol_C
C 81.626 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0279
_pd_proc_ls_prof_wR_factor       0.0345
_pd_proc_ls_prof_wR_expected     0.0334
_refine_ls_R_Fsqd_factor         0.04310

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    871.092     2:   0.764806     3:    287.192     4:    99.6105    
      5:    129.274     6:    61.7440     7:    69.6972     8:    21.5678    
      9:    31.5869    10:   -10.8298    11:    15.5544    12:   -12.0634    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  495.541 #2(GV)   = -205.494 #3(GW)   =  109.432
 #4(GP)   =    0.000 #5(LX)   =    0.000 #6(LY)   =   47.833
 #7(S/L)  =   0.0445 #8(H/L)  =   0.0219
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-01-16T16:13:34
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5207
_pd_proc_2theta_range_max        166.2707
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
12450(240) 0.0 2393. .
10400(220) 0.0 2374. .
9450(210) 0.0 2356. .
8030(190) 0.0 2337. .
7000(180) 0.0 2319. .
6010(160) 0.0 2301. .
5440(160) 0.0 2283. .
5100(150) 0.0 2265. .
4610(140) 0.0 2247. .
4320(140) 0.0 2230. .
3670(130) 0.0 2213. .
3380(120) 0.0 2196. .
3180(120) 0.0 2179. .
3080(120) 0.0 2163. .
3140(120) 0.0 2146. .
2750(110) 0.0 2130. .
2920(110) 0.0 2114. .
2680(110) 0.0 2098. .
2680(110) 0.0 2082. .
2680(110) 0.0 2067. .
2370(100) 0.0 2051. .
2460(100) 0.0 2036. .
2430(100) 0.0 2021. .
2350(100) 0.0 2007. .
2300(100) 0.0 1992. .
2280(100) 0.0 1977. .
2560(110) 0.0 1963. .
2122(97) 0.0 1949. .
2235(99) 0.0 1935. .
2350(100) 0.0 1921. .
2199(98) 0.0 1907. .
2091(96) 0.0 1894. .
2050(95) 0.0 1881. .
2082(96) 0.0 1867. .
2023(94) 0.0 1854. .
1996(94) 0.0 1841. .
1884(91) 0.0 1829. .
2019(94) 0.0 1816. .
1875(91) 0.0 1804. .
1830(90) 0.0 1791. .
1681(86) 0.0 1779. .
1866(91) 0.0 1767. .
1767(88) 0.0 1755. .
1758(88) 0.0 1744. .
1645(85) 0.0 1732. .
1623(84) 0.0 1721. .
1731(87) 0.0 1709. .
1600(84) 0.0 1698. .
1591(83) 0.0 1687. .
1708(87) 0.0 1676. .
1663(85) 0.0 1666. .
1573(83) 0.0 1655. .
1515(81) 0.0 1644. .
1546(82) 0.0 1634. .
1587(83) 0.0 1624. .
1447(79) 0.0 1614. .
1551(82) 0.0 1604. .
1497(81) 0.0 1594. .
1501(81) 0.0 1584. .
1627(84) 0.0 1574. .
1510(81) 0.0 1565. .
1524(82) 0.0 1555. .
1483(80) 0.0 1546. .
1407(78) 0.0 1537. .
1357(77) 0.0 1528. .
1389(78) 0.0 1519. .
1492(81) 0.0 1510. .
1393(78) 0.0 1502. .
1420(79) 0.0 1493. .
1393(78) 0.0 1484. .
1366(77) 0.0 1476. .
1393(78) 0.0 1468. .
1393(78) 0.0 1460. .
1339(76) 0.0 1452. .
1299(75) 0.0 1444. .
1420(79) 0.0 1436. .
1186(72) 0.0 1428. .
1375(77) 0.0 1420. .
1335(76) 0.0 1413. .
1150(71) 0.0 1405. .
1357(77) 0.0 1398. .
1204(72) 0.0 1391. .
1330(76) 0.0 1384. .
1335(76) 0.0 1377. .
1317(76) 0.0 1370. .
1362(77) 0.0 1363. .
1290(75) 0.0 1356. .
1222(73) 0.0 1349. .
1335(76) 0.0 1343. .
1218(73) 0.0 1336. .
1173(71) 0.0 1330. .
1240(73) 0.0 1324. .
1236(73) 0.0 1317. .
1272(74) 0.0 1311. .
1321(76) 0.0 1305. .
1326(76) 0.0 1299. .
1263(74) 0.0 1293. .
1272(74) 0.0 1287. .
1146(70) 0.0 1282. .
1213(73) 0.0 1276. .
1426(54) 0.0 1270. .
1385(53) 0.0 1265. .
1436(54) 0.0 1259. .
1362(53) 0.0 1254. .
1484(55) 0.0 1249. .
1314(52) 0.000370 1244. 1244.
1307(52) 0.000370 1238. 1251.
1316(52) 0.000370 1233. 1246.
1237(50) 0.000400 1228. 1242.
1214(50) 0.000400 1224. 1237.
1281(51) 0.000384 1219. 1233.
1217(50) 0.000400 1214. 1229.
1250(51) 0.000384 1209. 1225.
1195(49) 0.000416 1205. 1221.
1267(51) 0.000384 1200. 1218.
1155(49) 0.000416 1196. 1214.
1182(49) 0.000416 1191. 1211.
1070(47) 0.000453 1187. 1208.
1134(48) 0.000434 1182. 1205.
1170(49) 0.000416 1178. 1202.
1163(49) 0.000416 1174. 1200.
1135(48) 0.000434 1170. 1197.
1183(49) 0.000416 1166. 1195.
1139(48) 0.000434 1162. 1194.
1174(49) 0.000416 1158. 1192.
1101(47) 0.000453 1154. 1191.
1193(49) 0.000416 1150. 1191.
1160(49) 0.000416 1147. 1191.
1205(50) 0.000400 1143. 1191.
1188(49) 0.000416 1139. 1193.
1242(50) 0.000400 1136. 1195.
1261(51) 0.000384 1132. 1199.
1235(50) 0.000400 1129. 1205.
1310(52) 0.000370 1125. 1216.
1379(53) 0.000356 1122. 1237.
1362(53) 0.000356 1119. 1278.
1558(57) 0.0003078 1115. 1354.
1728(60) 0.0002778 1112. 1484.
1806(61) 0.0002687 1109. 1681.
2029(65) 0.0002367 1106. 1952.
2392(71) 0.0001984 1103. 2294.
2727(76) 0.0001731 1100. 2706.
3130(81) 0.0001524 1097. 3188.
3435(85) 0.0001384 1094. 3750.
4306(96) 0.0001085 1091. 4412.
5170(110) 0.0000907 1088. 5206.
6190(120) 0.0000756 1086. 6185.
7360(130) 0.0000640 1083. 7434.
9220(140) 0.0000510 1080. 9063.
11640(160) 0.0000401 1078. 11156.
13850(170) 0.0000338 1075. 13612.
16180(190) 0.0000289 1073. 15948.
17640(200) 0.0000263 1070. 17263.
16570(190) 0.0000283 1068. 16636.
13890(170) 0.0000338 1065. 13875.
10140(150) 0.0000463 1063. 9969.
6440(120) 0.0000731 1060. 6327.
3796(89) 0.0001262 1058. 3764.
2291(69) 0.0002100 1056. 2333.
1546(56) 0.0003189 1054. 1674.
1234(50) 0.000400 1052. 1407.
1176(49) 0.000416 1049. 1297.
1145(48) 0.000434 1047. 1242.
1179(49) 0.000416 1045. 1206.
1156(48) 0.000434 1043. 1180.
1137(48) 0.000434 1041. 1158.
1069(47) 0.000453 1039. 1141.
974(44) 0.000517 1037. 1126.
1037(46) 0.000473 1036. 1114.
1134(48) 0.000434 1034. 1104.
1087(47) 0.000453 1032. 1095.
1105(47) 0.000453 1030. 1087.
1079(47) 0.000453 1028. 1080.
1098(47) 0.000453 1027. 1073.
1154(48) 0.000434 1025. 1068.
1038(46) 0.000473 1023. 1062.
1064(46) 0.000473 1022. 1058.
1025(45) 0.000494 1020. 1053.
1045(46) 0.000473 1019. 1049.
1048(46) 0.000473 1017. 1046.
1028(46) 0.000473 1016. 1042.
1053(46) 0.000473 1014. 1039.
1034(46) 0.000473 1013. 1036.
1012(45) 0.000494 1011. 1033.
1018(45) 0.000494 1010. 1030.
1055(46) 0.000473 1008. 1028.
1084(47) 0.000453 1007. 1026.
1033(46) 0.000473 1006. 1023.
980(44) 0.000517 1005. 1021.
1033(46) 0.000473 1003. 1019.
981(44) 0.000517 1002. 1017.
1046(46) 0.000473 1001. 1015.
930(43) 0.000541 1000. 1013.
980(44) 0.000517 999. 1011.
1007(45) 0.000494 997. 1010.
956(44) 0.000517 996. 1008.
1016(62) 0.0002601 995. 1006.
964(60) 0.0002778 994. 1005.
939(60) 0.0002778 993. 1003.
977(61) 0.0002687 992. 1002.
1156(48) 0.000434 991. 1001.
948(43) 0.000541 990. 999.
997(44) 0.000517 989. 998.
1064(46) 0.000473 988. 997.
1010(45) 0.000494 987. 995.
992(44) 0.000517 986. 994.
980(44) 0.000517 986. 993.
950(43) 0.000541 985. 992.
999(44) 0.000517 984. 991.
952(43) 0.000541 983. 990.
984(44) 0.000517 982. 989.
1043(46) 0.000473 982. 988.
997(44) 0.000517 981. 987.
983(44) 0.000517 980. 986.
985(44) 0.000517 979. 985.
1022(45) 0.000494 979. 984.
1017(45) 0.000494 978. 983.
946(43) 0.000541 977. 982.
1004(45) 0.000494 977. 982.
1052(46) 0.000473 976. 981.
997(44) 0.000517 975. 980.
1001(45) 0.000494 975. 979.
952(43) 0.000541 974. 979.
974(44) 0.000517 974. 978.
1008(45) 0.000494 973. 977.
1060(46) 0.000473 972. 976.
1024(45) 0.000494 972. 976.
985(44) 0.000517 971. 975.
945(43) 0.000541 971. 975.
891(42) 0.000567 970. 974.
978(44) 0.000517 970. 973.
970(44) 0.000517 969. 973.
982(44) 0.000517 969. 972.
974(44) 0.000517 968. 972.
1001(45) 0.000494 968. 971.
964(44) 0.000517 968. 972.
944(43) 0.000541 967. 972.
923(43) 0.000541 967. 971.
967(44) 0.000517 966. 971.
986(44) 0.000517 966. 970.
989(44) 0.000517 966. 970.
1027(45) 0.000494 965. 970.
985(44) 0.000517 965. 969.
974(44) 0.000517 965. 969.
974(44) 0.000517 964. 969.
1008(45) 0.000494 964. 968.
1003(45) 0.000494 964. 968.
1007(45) 0.000494 963. 968.
972(44) 0.000517 963. 968.
1023(45) 0.000494 963. 967.
989(44) 0.000517 962. 967.
999(44) 0.000517 962. 967.
1001(44) 0.000517 962. 967.
902(42) 0.000567 962. 967.
920(43) 0.000541 961. 967.
961(44) 0.000517 961. 967.
989(44) 0.000517 961. 967.
940(43) 0.000541 961. 967.
1025(45) 0.000494 960. 967.
1027(45) 0.000494 960. 967.
1006(45) 0.000494 960. 967.
995(44) 0.000517 960. 967.
938(43) 0.000541 960. 967.
967(44) 0.000517 959. 967.
992(44) 0.000517 959. 968.
987(44) 0.000517 959. 968.
941(43) 0.000541 959. 969.
919(42) 0.000567 959. 970.
1030(45) 0.000494 959. 970.
992(44) 0.000517 958. 971.
1044(46) 0.000473 958. 973.
928(43) 0.000541 958. 974.
996(44) 0.000517 958. 976.
979(44) 0.000517 958. 978.
958(43) 0.000541 958. 982.
1007(45) 0.000494 958. 986.
1004(45) 0.000494 957. 993.
993(44) 0.000517 957. 1005.
1078(46) 0.000473 957. 1026.
1079(46) 0.000473 957. 1063.
1108(47) 0.000453 957. 1124.
1299(51) 0.000384 957. 1218.
1466(55) 0.0003306 957. 1354.
1654(58) 0.0002973 957. 1546.
1913(63) 0.0002520 957. 1802.
2241(68) 0.0002163 956. 2120.
2386(70) 0.0002041 956. 2462.
2580(73) 0.0001877 956. 2735.
2551(73) 0.0001877 956. 2820.
2390(71) 0.0001984 956. 2635.
1966(64) 0.0002441 956. 2238.
1616(57) 0.0003078 956. 1797.
1325(52) 0.000370 956. 1441.
1183(49) 0.000416 956. 1214.
1069(46) 0.000473 956. 1094.
1012(45) 0.000494 956. 1037.
976(64) 0.0002441 956. 1012.
949(42) 0.000567 956. 999.
966(43) 0.000541 955. 991.
1008(44) 0.000517 955. 986.
1066(45) 0.000494 955. 982.
1040(44) 0.000517 955. 978.
918(42) 0.000567 955. 976.
977(43) 0.000541 955. 974.
1022(44) 0.000517 955. 972.
1056(45) 0.000494 955. 970.
1038(44) 0.000517 955. 969.
976(43) 0.000541 955. 968.
979(43) 0.000541 955. 967.
995(43) 0.000541 955. 967.
952(42) 0.000567 955. 966.
954(42) 0.000567 955. 966.
977(43) 0.000541 955. 966.
1007(44) 0.000517 954. 966.
1011(44) 0.000517 954. 966.
963(43) 0.000541 954. 966.
981(43) 0.000541 954. 966.
993(43) 0.000541 954. 966.
966(43) 0.000541 954. 967.
951(42) 0.000567 954. 967.
875(40) 0.000625 954. 968.
1013(44) 0.000517 954. 969.
992(43) 0.000541 954. 971.
894(41) 0.000595 954. 972.
908(41) 0.000595 954. 975.
1006(44) 0.000517 954. 979.
985(43) 0.000541 954. 985.
941(42) 0.000567 954. 996.
1058(45) 0.000494 953. 1014.
1061(45) 0.000494 953. 1046.
1150(47) 0.000453 953. 1098.
1174(47) 0.000453 953. 1180.
1335(51) 0.000384 953. 1301.
1560(55) 0.0003306 953. 1466.
1706(58) 0.0002973 953. 1668.
1860(61) 0.0002687 953. 1876.
2049(64) 0.0002441 953. 2037.
1993(63) 0.0002520 953. 2087.
1822(60) 0.0002778 953. 1992.
1711(58) 0.0002973 953. 1782.
1563(55) 0.0003306 953. 1531.
1264(49) 0.000416 952. 1311.
1062(45) 0.000494 952. 1158.
1089(46) 0.000473 952. 1068.
1047(45) 0.000494 952. 1021.
959(43) 0.000541 952. 998.
944(42) 0.000567 952. 987.
1017(44) 0.000517 952. 981.
986(43) 0.000541 952. 976.
997(43) 0.000541 952. 973.
998(44) 0.000517 952. 971.
921(42) 0.000567 951. 969.
953(42) 0.000567 951. 967.
940(42) 0.000567 951. 966.
968(43) 0.000541 951. 965.
981(43) 0.000541 951. 964.
964(43) 0.000541 951. 963.
934(42) 0.000567 951. 963.
986(43) 0.000541 951. 963.
986(43) 0.000541 950. 963.
928(42) 0.000567 950. 963.
975(43) 0.000541 950. 963.
918(42) 0.000567 950. 963.
947(42) 0.000567 950. 964.
914(41) 0.000595 950. 965.
967(43) 0.000541 950. 966.
983(43) 0.000541 949. 967.
1016(44) 0.000517 949. 969.
1013(44) 0.000517 949. 971.
994(43) 0.000541 949. 975.
1014(44) 0.000517 949. 980.
1035(44) 0.000517 949. 990.
995(43) 0.000541 949. 1006.
1000(44) 0.000517 948. 1036.
1055(45) 0.000494 948. 1088.
1124(46) 0.000473 948. 1174.
1247(49) 0.000416 948. 1303.
1395(52) 0.000370 948. 1478.
1607(56) 0.0003189 948. 1686.
1863(61) 0.0002687 947. 1883.
1986(63) 0.0002520 947. 2004.
1993(63) 0.0002520 947. 1981.
1811(60) 0.0002778 947. 1807.
1579(56) 0.0003189 947. 1561.
1394(52) 0.000370 946. 1333.
1371(52) 0.000370 946. 1169.
1226(49) 0.000416 946. 1070.
1159(47) 0.000453 946. 1019.
988(43) 0.000541 946. 994.
998(43) 0.000541 945. 981.
1027(44) 0.000517 945. 974.
993(43) 0.000541 945. 969.
940(42) 0.000567 945. 965.
922(42) 0.000567 944. 962.
972(43) 0.000541 944. 959.
949(42) 0.000567 944. 957.
940(40) 0.000625 944. 956.
935(40) 0.000625 944. 954.
942(40) 0.000625 943. 954.
1001(41) 0.000595 943. 953.
958(41) 0.000595 943. 952.
943(40) 0.000625 943. 951.
952(40) 0.000625 942. 951.
1004(42) 0.000567 942. 950.
1045(42) 0.000567 942. 950.
986(41) 0.000595 942. 949.
1039(42) 0.000567 941. 949.
1060(43) 0.000541 941. 949.
1091(43) 0.000541 941. 949.
1087(43) 0.000541 941. 949.
1063(43) 0.000541 940. 949.
1039(42) 0.000567 940. 949.
993(41) 0.000595 940. 951.
959(41) 0.000595 939. 953.
978(41) 0.000595 939. 959.
996(41) 0.000595 939. 968.
972(41) 0.000595 939. 982.
1016(42) 0.000567 938. 1003.
977(41) 0.000595 938. 1028.
1047(43) 0.000541 938. 1053.
960(41) 0.000595 937. 1069.
1062(43) 0.000541 937. 1068.
1047(43) 0.000541 937. 1049.
989(41) 0.000595 936. 1019.
1024(42) 0.000567 936. 991.
1008(42) 0.000567 936. 970.
955(40) 0.000625 935. 957.
894(39) 0.000657 935. 950.
920(40) 0.000625 935. 947.
869(38) 0.000693 935. 945.
961(41) 0.000595 934. 944.
874(39) 0.000657 934. 943.
875(39) 0.000657 934. 943.
904(39) 0.000657 933. 943.
921(40) 0.000625 933. 942.
875(39) 0.000657 932. 942.
841(38) 0.000693 932. 942.
923(40) 0.000625 932. 943.
914(40) 0.000625 931. 943.
949(40) 0.000625 931. 943.
898(39) 0.000657 931. 944.
855(38) 0.000693 930. 945.
865(38) 0.000693 930. 946.
866(38) 0.000693 930. 947.
894(39) 0.000657 929. 949.
898(39) 0.000657 929. 951.
925(40) 0.000625 929. 954.
897(39) 0.000657 928. 958.
933(40) 0.000625 928. 964.
925(40) 0.000625 927. 972.
1014(42) 0.000567 927. 987.
1103(44) 0.000517 927. 1012.
1097(44) 0.000517 926. 1058.
1205(46) 0.000473 926. 1138.
1334(48) 0.000434 925. 1268.
1489(51) 0.000384 925. 1458.
1658(54) 0.0003429 925. 1697.
1887(58) 0.0002973 924. 1944.
2151(62) 0.0002601 924. 2125.
2080(61) 0.0002687 923. 2157.
1995(60) 0.0002778 923. 2005.
1746(56) 0.0003189 923. 1739.
1383(49) 0.000416 922. 1466.
1154(45) 0.000494 922. 1254.
1026(42) 0.000567 921. 1116.
1037(42) 0.000567 921. 1038.
953(40) 0.000625 921. 997.
936(40) 0.000625 920. 977.
899(39) 0.000657 920. 965.
912(39) 0.000657 919. 957.
893(39) 0.000657 919. 952.
952(40) 0.000625 918. 948.
961(41) 0.000595 918. 944.
963(41) 0.000595 918. 942.
877(39) 0.000657 917. 940.
951(40) 0.000625 917. 938.
895(39) 0.000657 916. 937.
902(39) 0.000657 916. 936.
931(40) 0.000625 915. 936.
867(38) 0.000693 915. 936.
946(40) 0.000625 914. 936.
850(38) 0.000693 914. 938.
900(39) 0.000657 914. 940.
912(39) 0.000657 913. 944.
983(41) 0.000595 913. 952.
925(40) 0.000625 912. 967.
994(41) 0.000595 912. 994.
961(41) 0.000595 911. 1041.
965(41) 0.000595 911. 1110.
1086(43) 0.000541 910. 1202.
1238(46) 0.000473 910. 1303.
1262(47) 0.000453 909. 1388.
1312(48) 0.000434 909. 1420.
1368(49) 0.000416 908. 1378.
1293(48) 0.000434 908. 1280.
1189(45) 0.000494 908. 1168.
1170(45) 0.000494 907. 1074.
1045(42) 0.000567 907. 1009.
975(41) 0.000595 906. 971.
999(41) 0.000595 906. 950.
992(41) 0.000595 905. 939.
988(41) 0.000595 905. 933.
991(41) 0.000595 904. 930.
879(39) 0.000657 904. 927.
941(40) 0.000625 903. 926.
962(41) 0.000595 903. 925.
930(40) 0.000625 902. 924.
935(40) 0.000625 902. 924.
937(40) 0.000625 901. 924.
953(40) 0.000625 901. 925.
956(41) 0.000595 900. 926.
922(40) 0.000625 900. 928.
942(40) 0.000625 899. 931.
920(40) 0.000625 899. 934.
932(40) 0.000625 898. 940.
931(40) 0.000625 898. 948.
864(38) 0.000693 897. 962.
990(41) 0.000595 897. 986.
1037(42) 0.000567 896. 1030.
1141(45) 0.000494 896. 1108.
1202(46) 0.000473 895. 1233.
1310(48) 0.000434 895. 1413.
1621(53) 0.000356 894. 1636.
1756(56) 0.0003189 894. 1860.
1900(58) 0.0002973 893. 2016.
1956(59) 0.0002873 893. 2028.
1883(58) 0.0002973 892. 1879.
1699(55) 0.0003306 892. 1638.
1414(50) 0.000400 891. 1398.
1296(48) 0.000434 891. 1208.
1118(44) 0.000517 890. 1082.
1041(42) 0.000567 890. 1009.
1013(42) 0.000567 889. 969.
931(40) 0.000625 889. 947.
953(40) 0.000625 888. 934.
892(39) 0.000657 888. 926.
880(39) 0.000657 887. 920.
916(40) 0.000625 887. 915.
946(40) 0.000625 886. 911.
907(39) 0.000657 885. 908.
933(40) 0.000625 885. 906.
890(39) 0.000657 884. 904.
993(41) 0.000595 884. 902.
978(41) 0.000595 883. 901.
938(40) 0.000625 883. 900.
929(40) 0.000625 882. 900.
924(40) 0.000625 882. 900.
892(39) 0.000657 881. 902.
946(40) 0.000625 881. 905.
853(38) 0.000693 880. 913.
909(39) 0.000657 880. 927.
908(39) 0.000657 879. 950.
896(39) 0.000657 879. 982.
942(40) 0.000625 878. 1021.
1045(42) 0.000567 878. 1059.
1071(43) 0.000541 877. 1081.
1038(42) 0.000567 877. 1077.
1109(44) 0.000517 876. 1046.
979(41) 0.000595 876. 1002.
922(40) 0.000625 875. 961.
921(40) 0.000625 874. 929.
942(40) 0.000625 874. 909.
940(40) 0.000625 873. 896.
892(39) 0.000657 873. 889.
863(38) 0.000693 872. 885.
829(38) 0.000693 872. 883.
883(39) 0.000657 871. 881.
888(39) 0.000657 871. 879.
888(39) 0.000657 870. 878.
931(40) 0.000625 870. 876.
918(40) 0.000625 869. 875.
907(39) 0.000657 869. 874.
906(39) 0.000657 868. 873.
916(40) 0.000625 868. 874.
938(40) 0.000625 867. 873.
899(39) 0.000657 867. 872.
849(38) 0.000693 866. 872.
881(39) 0.000657 866. 871.
887(39) 0.000657 865. 870.
881(39) 0.000657 864. 870.
891(39) 0.000657 864. 869.
866(38) 0.000693 863. 868.
865(38) 0.000693 863. 868.
881(39) 0.000657 862. 867.
850(38) 0.000693 862. 867.
857(38) 0.000693 861. 866.
856(38) 0.000693 861. 866.
864(38) 0.000693 860. 865.
902(39) 0.000657 860. 865.
871(39) 0.000657 859. 865.
847(38) 0.000693 859. 865.
832(38) 0.000693 858. 864.
895(39) 0.000657 858. 864.
890(39) 0.000657 857. 864.
916(40) 0.000625 857. 863.
931(40) 0.000625 856. 863.
859(37) 0.000730 856. 863.
874(38) 0.000693 855. 863.
832(37) 0.000730 855. 863.
892(38) 0.000693 854. 863.
906(38) 0.000693 854. 863.
834(37) 0.000730 853. 863.
841(37) 0.000730 853. 863.
807(36) 0.000772 852. 864.
850(37) 0.000730 851. 864.
877(38) 0.000693 851. 866.
897(38) 0.000693 850. 869.
876(38) 0.000693 850. 874.
912(39) 0.000657 849. 883.
889(38) 0.000693 849. 897.
912(39) 0.000657 848. 917.
887(38) 0.000693 848. 940.
945(39) 0.000657 847. 962.
952(39) 0.000657 847. 977.
938(39) 0.000657 846. 976.
997(40) 0.000625 846. 960.
962(40) 0.000625 845. 937.
884(38) 0.000693 845. 913.
877(38) 0.000693 844. 895.
912(39) 0.000657 844. 882.
875(38) 0.000693 843. 875.
867(38) 0.000693 843. 872.
885(38) 0.000693 842. 871.
850(37) 0.000730 842. 871.
876(38) 0.000693 841. 872.
877(38) 0.000693 841. 874.
834(37) 0.000730 840. 876.
919(39) 0.000657 840. 880.
899(38) 0.000693 839. 884.
930(39) 0.000657 839. 890.
1002(41) 0.000595 838. 898.
962(40) 0.000625 838. 910.
1038(41) 0.000595 837. 928.
1111(43) 0.000541 837. 957.
1099(43) 0.000541 837. 1008.
1170(44) 0.000517 836. 1094.
1273(46) 0.000473 836. 1234.
1507(50) 0.000400 835. 1440.
1693(53) 0.000356 835. 1704.
1977(58) 0.0002973 834. 1987.
2214(61) 0.0002687 834. 2216.
2360(63) 0.0002520 833. 2303.
2282(62) 0.0002601 833. 2193.
1930(57) 0.0003078 832. 1935.
1506(50) 0.000400 832. 1635.
1297(46) 0.000473 831. 1375.
1123(43) 0.000541 831. 1184.
964(40) 0.000625 830. 1060.
933(39) 0.000657 830. 987.
930(39) 0.000657 829. 946.
886(38) 0.000693 829. 924.
909(38) 0.000693 828. 910.
918(39) 0.000657 828. 902.
886(38) 0.000693 828. 897.
920(39) 0.000657 827. 895.
929(39) 0.000657 827. 894.
922(39) 0.000657 826. 897.
906(38) 0.000693 826. 903.
880(38) 0.000693 825. 915.
888(38) 0.000693 825. 939.
892(38) 0.000693 824. 981.
939(39) 0.000657 824. 1053.
1011(41) 0.000595 823. 1165.
1153(44) 0.000517 823. 1322.
1412(48) 0.000434 823. 1509.
1632(52) 0.000370 822. 1688.
1796(55) 0.0003306 822. 1802.
1806(55) 0.0003306 821. 1794.
1680(53) 0.000356 821. 1661.
1534(51) 0.000384 820. 1465.
1319(47) 0.000453 820. 1273.
1101(43) 0.000541 819. 1120.
1044(41) 0.000595 819. 1014.
980(40) 0.000625 819. 948.
922(39) 0.000657 818. 909.
940(39) 0.000657 818. 887.
949(39) 0.000657 817. 873.
965(40) 0.000625 817. 864.
961(40) 0.000625 816. 857.
966(40) 0.000625 816. 852.
903(38) 0.000693 816. 847.
868(38) 0.000693 815. 844.
887(38) 0.000693 815. 842.
880(38) 0.000693 814. 840.
871(38) 0.000693 814. 839.
841(37) 0.000730 814. 840.
816(36) 0.000772 813. 841.
859(37) 0.000730 813. 843.
842(37) 0.000730 812. 845.
808(36) 0.000772 812. 845.
830(37) 0.000730 811. 844.
827(37) 0.000730 811. 840.
853(37) 0.000730 811. 836.
840(37) 0.000730 810. 832.
843(37) 0.000730 810. 829.
847(37) 0.000730 809. 827.
829(29) 0.001189 809.1 825.4
849(35) 0.000816 808.7 824.6
842(35) 0.000816 808.3 824.5
818(34) 0.000865 807.9 824.4
802(34) 0.000865 807.5 824.6
847(35) 0.000816 807.1 825.6
801(34) 0.000865 806.8 826.5
766(33) 0.000918 806.4 827.8
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803(25) 0.001600 714.6 827.4
830(26) 0.001479 715.2 826.4
818(26) 0.001479 715.9 825.4
834(26) 0.001479 716.5 824.5
844(26) 0.001479 717.1 823.8
822(26) 0.001479 717.8 823.1
840(26) 0.001479 718.4 822.6
824(26) 0.001479 719.1 822.2
792(25) 0.001600 719.8 822.0
834(26) 0.001479 720.5 821.8
848(26) 0.001479 721.2 821.8
800(25) 0.001600 721.9 821.9
795(25) 0.001600 722.6 822.1
825(26) 0.001479 723.3 822.4
825(26) 0.001479 724.0 822.9
822(26) 0.001479 724.8 823.5
820(26) 0.001479 725.5 824.2
839(26) 0.001479 726.3 825.0
849(26) 0.001479 727.0 826.0
812(26) 0.001479 727.8 827.0
820(26) 0.001479 728.6 828.2
868(26) 0.001479 729.4 829.4
864(26) 0.001479 730.2 830.8
857(26) 0.001479 731.0 832.3
843(26) 0.001479 731.8 833.9
830(21) 0.002268 732.7 835.5
826(26) 0.001479 733.5 837.3
844(26) 0.001479 734.3 839.2
857(26) 0.001479 735.2 841.1
849(26) 0.001479 736.1 843.1
845(26) 0.001479 736.9 845.2
842(26) 0.001479 737.8 847.4
836(26) 0.001479 738.7 849.7
866(27) 0.001372 739.6 852.0
885(27) 0.001372 740.6 854.4
858(26) 0.001479 741.5 856.9
832(26) 0.001479 742.4 859.4
861(27) 0.001372 743.4 862.0
888(27) 0.001372 744.3 864.6
859(27) 0.001372 745.3 867.3
875(27) 0.001372 746.3 870.1
903(27) 0.001372 747.3 872.9
898(27) 0.001372 748.3 875.7
886(27) 0.001372 749.3 878.6
894(27) 0.001372 750.3 881.4
869(27) 0.001372 751.3 884.4
866(27) 0.001372 752.4 887.3
884(27) 0.001372 753.4 890.2
876(27) 0.001372 754.5 893.2
903(27) 0.001372 755.6 896.1
895(27) 0.001372 756.7 899.0
874(27) 0.001372 757.8 901.9
902(27) 0.001372 758.9 904.8
926(27) 0.001372 760.0 907.7
911(27) 0.001372 761.2 910.5
901(27) 0.001372 762.3 913.2
898(27) 0.001372 763.5 915.9
894(27) 0.001372 764.6 918.6
911(27) 0.001372 765.8 921.1
950(28) 0.001276 767.0 923.6
918(27) 0.001372 768.2 926.1
898(27) 0.001372 769.5 928.4
914(27) 0.001372 770.7 930.7
920(27) 0.001372 771.9 932.9
931(28) 0.001276 773.2 935.0
937(28) 0.001276 774.5 937.0
955(28) 0.001276 775.8 938.9
938(28) 0.001276 777.1 940.7
910(27) 0.001372 778.4 942.5
922(27) 0.001372 779.7 944.2
917(27) 0.001372 781.0 945.8
910(27) 0.001372 782.4 947.3
943(28) 0.001276 783.8 948.8
940(28) 0.001276 785.1 950.2
948(28) 0.001276 786.5 951.5
969(28) 0.001276 787.9 952.8
974(28) 0.001276 789.4 954.1
956(28) 0.001276 790.8 955.3
958(28) 0.001276 792.3 956.5
977(28) 0.001276 793.7 957.7
982(28) 0.001276 795.2 958.8
943(28) 0.001276 796.7 959.9
911(27) 0.001372 798.2 961.0
946(28) 0.001276 799.7 962.1
954(28) 0.001276 801.2 963.2
957(28) 0.001276 802.8 964.3
957(28) 0.001276 804.4 965.4
939(28) 0.001276 805.9 966.5
933(28) 0.001276 807.5 967.6
971(28) 0.001276 809.1 968.7
1007(29) 0.001189 810.8 969.8
967(28) 0.001276 812.4 970.9
935(28) 0.001276 814.1 972.0
935(28) 0.001276 815.7 973.2
951(28) 0.001276 817.4 974.3
950(28) 0.001276 819.1 975.5
925(27) 0.001372 820.8 976.7
951(28) 0.001276 822.6 977.9
961(28) 0.001276 824.3 979.1
950(28) 0.001276 826.1 980.3
959(28) 0.001276 827.9 981.6
974(28) 0.001276 829.6 982.8
973(28) 0.001276 831.5 984.1
961(28) 0.001276 833.3 985.3
990(28) 0.001276 835.1 986.6
978(28) 0.001276 837.0 987.9
969(28) 0.001276 838.9 989.2
1009(29) 0.001189 840.8 990.6
1002(29) 0.001189 842.7 991.9
972(28) 0.001276 844.6 993.2
974(28) 0.001276 846.6 994.6
988(28) 0.001276 848.5 996.0
982(28) 0.001276 850.5 997.3
960(28) 0.001276 852.5 998.7
999(28) 0.001276 854.5 1000.2
1005(29) 0.001189 856.6 1001.6
985(28) 0.001276 858.6 1003.0
976(28) 0.001276 860.7 1004.5
989(28) 0.001276 862.8 1005.9
1012(29) 0.001189 864.9 1007.4
1028(29) 0.001189 867.0 1008.9
1052(29) 0.001189 869.1 1010.4
1024(29) 0.001189 871.3 1012.0
991(28) 0.001276 873.5 1013.5
997(28) 0.001276 875.7 1015.1
1000(29) 0.001189 877.9 1016.7
1038(30) 0.001111 880.1 1018.3
1048(30) 0.001111 882.4 1019.9
1025(30) 0.001111 884.7 1021.6
1026(30) 0.001111 886.9 1023.2
1043(30) 0.001111 889.3 1024.9
1004(29) 0.001189 891.6 1026.7
1043(30) 0.001111 893.9 1028.4
1054(30) 0.001111 896.3 1030.2
1054(30) 0.001111 898.7 1032.0
1053(30) 0.001111 901.1 1033.8
1036(30) 0.001111 903.5 1035.7
986(29) 0.001189 906.0 1037.6
1027(30) 0.001111 908.4 1039.5
1019(30) 0.001111 910.9 1041.4
1025(30) 0.001111 913.4 1043.4
1026(30) 0.001111 916.0 1045.4
1022(30) 0.001111 918.5 1047.5
1003(29) 0.001189 921.1 1049.5
1067(30) 0.001111 923.7 1051.7
1071(30) 0.001111 926.3 1053.8
1065(30) 0.001111 928.9 1056.0
1051(30) 0.001111 931.6 1058.2
1113(31) 0.001041 934.3 1060.4
1084(30) 0.001111 936.9 1062.7
1051(30) 0.001111 939.7 1064.9
1057(30) 0.001111 942.4 1067.3
1094(30) 0.001111 945.2 1069.6
1103(31) 0.001041 947.9 1072.0
1087(30) 0.001111 950.7 1074.4
1082(30) 0.001111 953.6 1076.8
1098(30) 0.001111 956.4 1079.2
1084(30) 0.001111 959.3 1081.7
1070(30) 0.001111 962.2 1084.2
1056(30) 0.001111 965.1 1086.7
1099(31) 0.001041 968.0 1089.2
1108(31) 0.001041 971.0 1091.8
1117(31) 0.001041 974.0 1094.4
1113(31) 0.001041 977.0 1097.0
1087(30) 0.001111 980.0 1099.6
1092(30) 0.001111 983.0 1102.3
1090(30) 0.001111 986.1 1104.9
1098(31) 0.001041 989.2 1107.6
1076(30) 0.001111 992.3 1110.3
1038(30) 0.001111 995.5 1113.1
1068(30) 0.001111 998.6 1115.8
1075(30) 0.001111 1001.8 1118.6
1077(30) 0.001111 1005.0 1121.5
1130(31) 0.001041 1008.3 1124.3
1096(30) 0.001111 1011.5 1127.2
1112(31) 0.001041 1014.8 1130.1
1113(31) 0.001041 1018.1 1133.1
1102(31) 0.001041 1021.4 1136.1
1164(31) 0.001041 1024.8 1139.1
1151(31) 0.001041 1028.2 1142.1
1141(31) 0.001041 1031.6 1145.2
1162(31) 0.001041 1035.0 1148.3
1164(31) 0.001041 1038.5 1151.5
1145(31) 0.001041 1042.0 1154.7
1156(31) 0.001041 1045.5 1157.9
1138(31) 0.001041 1049.0 1161.1
1137(31) 0.001041 1052.5 1164.4
1143(31) 0.001041 1056.1 1167.7
1142(31) 0.001041 1059.7 1171.1
1183(32) 0.000977 1063.4 1174.5
1186(32) 0.000977 1067.0 1177.9
1182(32) 0.000977 1070.7 1181.4
1213(32) 0.000977 1074.4 1184.9
1177(32) 0.000977 1078.1 1188.5
1181(32) 0.000977 1081.9 1192.0
1150(31) 0.001041 1085.7 1195.6
1192(32) 0.000977 1089.5 1199.3
1233(32) 0.000977 1093.3 1202.9
1206(32) 0.000977 1097.2 1206.6
1224(32) 0.000977 1101.1 1210.3
1233(32) 0.000977 1105.0 1214.1
1237(32) 0.000977 1109.0 1217.9
1228(32) 0.000977 1112.9 1221.7
1247(32) 0.000977 1116.9 1225.5
1294(33) 0.000918 1120.9 1229.4
1252(32) 0.000977 1125.0 1233.3
1226(32) 0.000977 1129.1 1237.2
1253(32) 0.000977 1133.2 1241.1
1247(32) 0.000977 1137.3 1245.0
1263(33) 0.000918 1141.5 1249.0
1276(33) 0.000918 1145.7 1253.0
1252(32) 0.000977 1149.9 1257.0
1298(33) 0.000918 1154.1 1261.0
1339(33) 0.000918 1158.4 1265.1
1319(33) 0.000918 1162.7 1269.1
1243(32) 0.000977 1167.0 1273.2
1270(33) 0.000918 1171.4 1277.3
1279(33) 0.000918 1175.8 1281.4
1267(33) 0.000918 1180.2 1285.6
1283(33) 0.000918 1184.6 1289.7
1280(33) 0.000918 1189.1 1293.9
1273(33) 0.000918 1193.6 1298.1
1272(33) 0.000918 1198.1 1302.3
1286(33) 0.000918 1202.7 1306.5
1347(34) 0.000865 1207.3 1310.7
1309(48) 0.000434 1212. 1315.
1331(48) 0.000434 1217. 1319.
1272(47) 0.000453 1221. 1323.
1308(48) 0.000434 1226. 1328.
1370(49) 0.000416 1231. 1332.
1345(48) 0.000434 1235. 1336.
1352(48) 0.000434 1240. 1341.
1315(48) 0.000434 1245. 1345.
1373(49) 0.000416 1250. 1350.
1358(48) 0.000434 1255. 1354.
1377(49) 0.000416 1260. 1358.
1364(49) 0.000416 1265. 1363.
1413(49) 0.000416 1270. 1367.
1453(50) 0.000400 1275. 1372.
1420(49) 0.000416 1280. 1376.
1290(47) 0.000453 1285. 1381.
1399(49) 0.000416 1290. 1386.
1421(49) 0.000416 1295. 1390.
1424(50) 0.000400 1300. 1395.
1390(49) 0.000416 1305. 1399.
1463(50) 0.000400 1310. 1404.
1412(49) 0.000416 1316. 1409.
1442(50) 0.000400 1321. 1414.
1490(51) 0.000384 1326. 1418.
1474(50) 0.000400 1332. 1423.
1498(51) 0.000384 1337. 1428.
1413(49) 0.000416 1342. 1433.
1459(50) 0.000400 1348. 1438.
1554(51) 0.000384 1353. 1442.
1482(50) 0.000400 1359. 1447.
1377(49) 0.000416 1364. 1452.
1386(49) 0.000416 1370. 1457.
1464(50) 0.000400 1376. 1462.
1479(50) 0.000400 1381. 1467.
1526(51) 0.000384 1387. 1472.
1526(51) 0.000384 1393. 1478.
1545(51) 0.000384 1398. 1483.
1501(51) 0.000384 1404. 1488.
1516(51) 0.000384 1410. 1493.
1575(52) 0.000370 1416. 1498.
1619(52) 0.000370 1421. 1504.
1495(51) 0.000384 1427. 1509.
1541(51) 0.000384 1433. 1514.
1548(51) 0.000384 1439. 1520.
1519(51) 0.000384 1445. 1525.
1542(51) 0.000384 1451. 1530.
1512(51) 0.000384 1457. 1536.
1582(52) 0.000370 1463. 1541.
1493(51) 0.000384 1469. 1547.
1515(51) 0.000384 1476. 1553.
1556(52) 0.000370 1482. 1558.
1537(51) 0.000384 1488. 1564.
1531(51) 0.000384 1494. 1570.
1523(51) 0.000384 1501. 1575.
1507(51) 0.000384 1507. 1581.
1583(52) 0.000370 1513. 1587.
1597(52) 0.000370 1520. 1593.
1634(53) 0.000356 1526. 1599.
1579(52) 0.000370 1532. 1605.
1585(52) 0.000370 1539. 1611.
1549(51) 0.000384 1545. 1617.
1507(51) 0.000384 1552. 1623.
1588(52) 0.000370 1559. 1630.
1597(52) 0.000370 1565. 1636.
1609(52) . . .
1615(52) . . .
1618(52) . . .
1609(52) . . .
1587(52) . . .
1573(52) . . .
1697(54) . . .
1643(53) . . .
1675(53) . . .
1732(54) . . .
1598(52) . . .
1693(54) . . .
1786(55) . . .
1749(54) . . .
1677(53) . . .
1662(53) . . .
1623(53) . . .
1700(54) . . .
1657(53) . . .
1705(54) . . .
1686(53) . . .
1743(54) . . .
1752(54) . . .
1690(53) . . .
1671(53) . . .
1724(54) . . .
1752(54) . . .
1720(54) . . .
1704(54) . . .
1674(53) . . .
1687(53) . . .
1767(55) . . .
1734(54) . . .
1683(53) . . .
1684(53) . . .
1787(55) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             805
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.049
_reflns_d_resolution_low         12.957
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002997'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_BARE_CO_publ

_pd_block_id                     2012-05-26T22:05|BARE_CO||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2012-05-26T22:05
_audit_update_record             
; 2012-05-26T22:05  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     39
_refine_ls_goodness_of_fit_all   1.01
_refine_ls_number_restraints     0
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            purple

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.9067(9)
_cell_length_b                   25.9067
_cell_length_c                   6.8548(5)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3984.26(28)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Co Co1 0.3845(13) 0.3489(13) 0.136(4) 1.0 Uiso 0.003(7) 18
O O1 0.3283(6) 0.2968(6) 0.3674(21) 1.0 Uiso 0.0181(34) 18
O O2 0.3011(6) 0.2279(6) 0.6030(16) 1.0 Uiso 0.0007(28) 18
O O3 0.3547(6) 0.2749(6) 0.0111(18) 1.0 Uiso 0.0003(29) 18
C C1 0.3160(6) 0.2470(6) 0.4236(19) 1.0 Uiso 0.029(4) 18
C C2 0.3290(6) 0.2075(5) 0.2877(17) 1.0 Uiso 0.020(4) 18
C C3 0.3477(6) 0.2257(7) 0.0891(18) 1.0 Uiso 0.028(4) 18
C C4 0.3503(6) 0.1810(5) -0.0261(15) 1.0 Uiso 0.0081(30) 18
H H4A 0.3647(9) 0.1951(7) -0.1746(30) 1.0 Uiso 0.001(4) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4 H Co O3'
_chemical_formula_weight         155.98
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.118(29) . 1_555 N
Co1 O1 2.135(32) . 103_554 N
Co1 O2 1.997(32) . 202_554 N
Co1 O3 1.877(31) . 1_555 N
Co1 O3 2.128(30) . 202_555 N
O1 Co1 2.118(29) . 1_555 N
O1 Co1 2.135(32) . 202_555 N
O1 C1 1.228(19) . 1_555 N
O2 Co1 1.997(32) . 103_555 N
O2 C1 1.310(15) . 1_555 N
O3 Co1 1.877(31) . 1_555 N
O3 Co1 2.128(30) . 103_554 N
O3 C3 1.309(18) . 1_555 N
C1 O1 1.228(19) . 1_555 N
C1 O2 1.310(15) . 1_555 N
C1 C2 1.542(19) . 1_555 N
C2 C1 1.542(19) . 1_555 N
C2 C3 1.442(15) . 1_555 N
C3 O3 1.309(18) . 1_555 N
C3 C2 1.442(15) . 1_555 N
C3 C4 1.431(18) . 1_555 N
C4 C3 1.431(18) . 1_555 N
C4 H4A 1.082(23) . 1_555 N
H4A C4 1.082(23) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Co1 O1 80.7(11) 1_555 . 103_554 N
O1 Co1 O2 173.1(18) 1_555 . 202_554 N
O1 Co1 O3 83.8(12) 1_555 . 1_555 N
O1 Co1 O3 76.1(11) 1_555 . 202_555 N
O1 Co1 O2 99.0(14) 103_554 . 202_554 N
O1 Co1 O3 81.2(12) 103_554 . 1_555 N
O1 Co1 O3 90.6(12) 103_554 . 202_555 N
O2 Co1 O3 103.1(14) 202_554 . 1_555 N
O2 Co1 O3 97.0(14) 202_554 . 202_555 N
O3 Co1 O3 159.3(17) 1_555 . 202_555 N
Co1 O1 Co1 92.1(7) 1_555 . 202_555 N
Co1 O1 C1 129.7(16) 1_555 . 1_555 N
Co1 O1 C1 137.6(14) 202_555 . 1_555 N
Co1 O2 C1 119.1(13) 103_555 . 1_555 N
Co1 O3 Co1 99.5(15) 1_555 . 103_554 N
Co1 O3 C3 126.4(15) 1_555 . 1_555 N
Co1 O3 C3 126.5(14) 103_554 . 1_555 N
O1 C1 O2 124.4(16) 1_555 . 1_555 N
O1 C1 C2 118.8(13) 1_555 . 1_555 N
O2 C1 C2 115.9(12) 1_555 . 1_555 N
C1 C2 C3 120.1(12) 1_555 . 1_555 N
O3 C3 C2 124.5(14) 1_555 . 1_555 N
O3 C3 C4 121.5(12) 1_555 . 1_555 N
C2 C3 C4 113.5(12) 1_555 . 1_555 N
C3 C4 H4A 113.2(13) 1_555 . 1_555 N

# Powder diffraction data for histogram  5
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT602_BARE_CO_publ        
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: This is a very porous material that has been activated.
;
_vrf_PLAT341_BARE_CO_publ        
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0185 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Co 18.0 0.2490 International_Tables_Vol_C
O 54.0 0.5803 International_Tables_Vol_C
C 72.0 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0316
_pd_proc_ls_prof_wR_factor       0.0379
_pd_proc_ls_prof_wR_expected     0.0376
_refine_ls_R_Fsqd_factor         0.11323

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    684.463     2:   -70.4986     3:    141.585     4:    57.2033    
      5:    67.5647     6:    22.5081     7:    37.9446     8:    11.6219    
      9:    15.3370    10:    3.23680    11:    1.58084    12:   -2.63836    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  550.891 #2(GV)   = -161.113 #3(GW)   =   94.233
 #4(GP)   =    6.665 #5(LX)   =    3.149 #6(LY)   =    1.181
 #7(S/L)  =   0.0294 #8(H/L)  =   0.0250
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_info_datetime           2012-05-26T22:05:48
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5231
_pd_proc_2theta_range_max        166.2731
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
5790(160) 0.0 1163. .
5060(150) 0.0 1159. .
4640(150) 0.0 1155. .
3580(130) 0.0 1152. .
3290(120) 0.0 1148. .
3200(120) 0.0 1144. .
2620(110) 0.0 1141. .
2300(100) 0.0 1137. .
2128(99) 0.0 1134. .
1772(90) 0.0 1130. .
1763(90) 0.0 1127. .
1722(89) 0.0 1123. .
1551(85) 0.0 1120. .
1407(81) 0.0 1116. .
1325(78) 0.0 1113. .
1443(82) 0.0 1110. .
1276(77) 0.0 1106. .
1258(76) 0.0 1103. .
1141(73) 0.0 1100. .
1181(74) 0.0 1097. .
1055(70) 0.0 1093. .
1398(80) 0.0 1090. .
1226(75) 0.0 1087. .
1258(76) 0.0 1084. .
1271(77) 0.0 1081. .
1199(75) 0.0 1078. .
1262(77) 0.0 1075. .
1150(73) 0.0 1072. .
1244(76) 0.0 1069. .
1249(76) 0.0 1066. .
1208(75) 0.0 1063. .
1303(78) 0.0 1060. .
1249(76) 0.0 1057. .
1199(75) 0.0 1054. .
1032(69) 0.0 1052. .
1118(72) 0.0 1049. .
1123(72) 0.0 1046. .
1186(74) 0.0 1043. .
1014(69) 0.0 1041. .
1114(72) 0.0 1038. .
1226(75) 0.0 1035. .
969(67) 0.0 1033. .
1010(69) 0.0 1030. .
1168(74) 0.0 1027. .
983(68) 0.0 1025. .
915(66) 0.0 1022. .
1096(71) 0.0 1020. .
1005(69) 0.0 1017. .
1073(71) 0.0 1015. .
969(67) 0.0 1012. .
987(68) 0.0 1010. .
960(67) 0.0 1007. .
951(67) 0.0 1005. .
951(67) 0.0 1003. .
1068(71) 0.0 1000. .
1041(70) 0.0 998. .
1105(72) 0.0 996. .
1032(69) 0.0 993. .
1046(70) 0.0 991. .
960(67) 0.0 989. .
1023(69) 0.0 987. .
947(67) 0.0 984. .
1050(70) 0.0 982. .
938(66) 0.0 980. .
983(68) 0.0 978. .
1010(69) 0.0 976. .
1077(71) 0.0 974. .
1082(71) 0.0 972. .
1023(69) 0.0 970. .
956(67) 0.0 968. .
879(64) 0.0 966. .
938(66) 0.0 964. .
987(68) 0.0 962. .
960(67) 0.0 960. .
1050(70) 0.0 958. .
938(66) 0.0 956. .
974(67) 0.0 954. .
811(62) 0.0 952. .
893(65) 0.0 950. .
938(66) 0.0 948. .
897(65) 0.0 946. .
762(60) 0.0 944. .
870(64) 0.0 943. .
879(64) 0.0 941. .
847(63) 0.0 939. .
1100(72) 0.0 937. .
893(65) 0.0 936. .
861(64) 0.0 934. .
951(67) 0.0 932. .
879(64) 0.0 930. .
1005(69) 0.0 929. .
866(64) 0.0002441 927. 927.
969(67) 0.0002228 925. 925.
897(65) 0.0002367 924. 924.
893(65) 0.0002367 922. 922.
870(64) 0.0002441 921. 921.
969(67) 0.0002228 919. 919.
897(65) 0.0002367 917. 917.
897(65) 0.0002367 916. 916.
920(66) 0.0002296 914. 914.
1017(47) 0.000453 913. 913.
974(46) 0.000473 911. 911.
952(46) 0.000473 910. 910.
915(45) 0.000494 908. 908.
936(45) 0.000494 907. 907.
966(46) 0.000473 905. 905.
975(46) 0.000473 904. 904.
925(45) 0.000494 902. 902.
822(43) 0.000541 901. 901.
869(44) 0.000517 899. 899.
869(44) 0.000517 898. 898.
892(44) 0.000517 897. 897.
940(45) 0.000494 895. 895.
906(45) 0.000494 894. 894.
838(43) 0.000541 893. 893.
928(45) 0.000494 891. 891.
907(45) 0.000494 890. 890.
911(45) 0.000494 889. 889.
905(45) 0.000494 887. 887.
931(45) 0.000494 886. 886.
943(45) 0.000494 885. 885.
814(42) 0.000567 883. 883.
784(42) 0.000567 882. 882.
938(45) 0.000494 881. 881.
848(43) 0.000541 880. 880.
836(43) 0.000541 879. 879.
881(44) 0.000517 877. 877.
907(45) 0.000494 876. 876.
873(44) 0.000517 875. 875.
868(44) 0.000517 874. 874.
782(42) 0.000567 873. 873.
828(43) 0.000541 871. 871.
833(43) 0.000541 870. 870.
826(43) 0.000541 869. 869.
840(43) 0.000541 868. 902.
848(43) 0.000541 867. 905.
895(44) 0.000517 866. 909.
967(46) 0.000473 865. 915.
957(46) 0.000473 864. 924.
1029(47) 0.000453 863. 939.
976(46) 0.000473 862. 970.
1048(48) 0.000434 860. 1032.
1284(53) 0.000356 859. 1147.
1483(57) 0.0003078 858. 1342.
1744(62) 0.0002601 857. 1638.
2019(66) 0.0002296 856. 2052.
2421(73) 0.0001877 855. 2607.
3189(83) 0.0001452 854. 3351.
4024(93) 0.0001156 853. 4373.
5730(110) 0.0000812 852. 5786.
7890(130) 0.0000583 851. 7624.
9900(150) 0.0000469 850. 9628.
11170(160) 0.0000416 850. 11127.
11660(160) 0.0000396 849. 11266.
9810(150) 0.0000476 848. 9680.
7020(120) 0.0000661 847. 7026.
4700(100) 0.0000980 846. 4437.
2706(77) 0.0001687 845. 2614.
1733(61) 0.0002687 844. 1626.
1061(48) 0.000434 843. 1196.
901(45) 0.000494 842. 1034.
885(44) 0.000517 841. 972.
876(44) 0.000517 840. 942.
789(42) 0.000567 840. 923.
826(43) 0.000541 839. 909.
870(44) 0.000517 838. 898.
834(43) 0.000541 837. 889.
880(44) 0.000517 836. 836.
772(41) 0.000595 835. 835.
853(43) 0.000541 835. 835.
866(44) 0.000517 834. 834.
844(43) 0.000541 833. 833.
843(43) 0.000541 832. 832.
857(43) 0.000541 831. 831.
800(42) 0.000567 831. 831.
907(45) 0.000494 830. 830.
826(43) 0.000541 829. 829.
796(42) 0.000567 828. 828.
862(44) 0.000517 828. 828.
891(44) 0.000517 827. 827.
841(43) 0.000541 826. 826.
853(43) 0.000541 825. 825.
820(42) 0.000567 825. 825.
831(43) 0.000541 824. 824.
843(43) 0.000541 823. 823.
904(45) 0.000494 823. 823.
922(45) 0.000494 822. 822.
788(42) 0.000567 821. 821.
794(42) 0.000567 820. 820.
875(44) 0.000517 820. 820.
783(42) 0.000567 819. 819.
801(42) 0.000567 818. 818.
779(41) 0.000595 818. 818.
850(43) 0.000541 817. 817.
846(43) 0.000541 816. 816.
889(44) 0.000517 816. 816.
882(60) 0.0002778 815. 815.
912(61) 0.0002687 815. 815.
800(57) 0.0003078 814. 814.
768(56) 0.0003189 813. 813.
758(40) 0.000625 813. 813.
808(42) 0.000567 812. 812.
783(41) 0.000595 811. 811.
778(41) 0.000595 811. 811.
824(42) 0.000567 810. 810.
794(41) 0.000595 810. 810.
771(41) 0.000595 809. 809.
798(41) 0.000595 808. 808.
853(43) 0.000541 808. 808.
815(42) 0.000567 807. 807.
820(42) 0.000567 807. 807.
820(42) 0.000567 806. 806.
802(42) 0.000567 806. 806.
806(42) 0.000567 805. 805.
771(41) 0.000595 805. 805.
789(41) 0.000595 804. 804.
833(42) 0.000567 803. 803.
820(42) 0.000567 803. 803.
821(42) 0.000567 802. 802.
742(40) 0.000625 802. 802.
773(41) 0.000595 801. 801.
846(43) 0.000541 801. 801.
804(42) 0.000567 800. 800.
801(42) 0.000567 800. 800.
811(42) 0.000567 799. 799.
789(41) 0.000595 799. 799.
753(40) 0.000625 798. 798.
836(42) 0.000567 798. 798.
810(42) 0.000567 797. 797.
831(42) 0.000567 797. 797.
809(42) 0.000567 796. 796.
799(42) 0.000567 796. 796.
776(41) 0.000595 795. 795.
775(41) 0.000595 795. 795.
771(41) 0.000595 794. 794.
753(40) 0.000625 794. 794.
807(42) 0.000567 794. 794.
793(41) 0.000595 793. 793.
746(40) 0.000625 793. 793.
795(41) 0.000595 792. 792.
754(40) 0.000625 792. 792.
784(41) 0.000595 791. 791.
793(41) 0.000595 791. 791.
760(40) 0.000625 790. 790.
824(42) 0.000567 790. 790.
831(42) 0.000567 790. 790.
753(40) 0.000625 789. 789.
760(40) 0.000625 789. 789.
707(39) 0.000657 788. 788.
752(40) 0.000625 788. 788.
814(42) 0.000567 788. 788.
830(42) 0.000567 787. 787.
815(42) 0.000567 787. 787.
779(41) 0.000595 786. 786.
775(41) 0.000595 786. 786.
834(42) 0.000567 786. 786.
791(41) 0.000595 785. 785.
716(39) 0.000657 785. 785.
823(42) 0.000567 784. 784.
821(42) 0.000567 784. 784.
765(41) 0.000595 784. 784.
791(41) 0.000595 783. 783.
743(40) 0.000625 783. 783.
821(42) 0.000567 782. 782.
792(41) 0.000595 782. 782.
766(41) 0.000595 782. 782.
769(41) 0.000595 781. 781.
797(41) 0.000595 781. 781.
786(41) 0.000595 781. 781.
780(41) 0.000595 780. 780.
810(42) 0.000567 780. 780.
809(42) 0.000567 780. 780.
801(42) 0.000567 779. 779.
790(41) 0.000595 779. 779.
735(40) 0.000625 779. 786.
785(41) 0.000595 778. 787.
789(41) 0.000595 778. 789.
818(42) 0.000567 778. 790.
806(42) 0.000567 777. 793.
825(42) 0.000567 777. 799.
821(42) 0.000567 777. 811.
889(44) 0.000517 776. 839.
946(45) 0.000494 776. 898.
1066(48) 0.000434 776. 1013.
1289(53) 0.000356 775. 1215.
1514(57) 0.0003078 775. 1526.
1998(66) 0.0002296 775. 1932.
2413(72) 0.0001929 774. 2335.
2726(77) 0.0001687 774. 2566.
2549(74) 0.0001826 774. 2477.
2037(66) 0.0002296 773. 2090.
1494(57) 0.0003078 773. 1606.
1163(50) 0.000400 773. 1210.
968(46) 0.000473 773. 971.
807(42) 0.000567 772. 858.
772(41) 0.000595 772. 813.
843(62) 0.0002601 772. 797.
826(41) 0.000595 771. 790.
751(39) 0.000657 771. 786.
781(40) 0.000625 771. 783.
759(40) 0.000625 770. 781.
730(39) 0.000657 770. 779.
809(41) 0.000595 770. 778.
776(40) 0.000625 770. 770.
756(39) 0.000657 769. 769.
797(41) 0.000595 769. 769.
845(42) 0.000567 769. 769.
815(41) 0.000595 768. 768.
854(42) 0.000567 768. 768.
791(40) 0.000625 768. 768.
784(40) 0.000625 768. 768.
751(39) 0.000657 767. 767.
797(41) 0.000595 767. 767.
798(41) 0.000595 767. 767.
766(40) 0.000625 767. 767.
755(39) 0.000657 766. 766.
727(39) 0.000657 766. 766.
718(38) 0.000693 766. 766.
706(38) 0.000693 766. 766.
681(37) 0.000730 765. 766.
756(39) 0.000657 765. 765.
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850(26) 0.001479 778.6 833.2
853(26) 0.001479 780.9 835.8
840(26) 0.001479 783.2 838.4
841(38) 0.000693 785. 841.
875(38) 0.000693 788. 844.
874(38) 0.000693 790. 846.
881(38) 0.000693 793. 849.
870(38) 0.000693 795. 851.
852(38) 0.000693 797. 854.
836(38) 0.000693 800. 857.
873(38) 0.000693 802. 859.
889(39) 0.000657 805. 862.
916(39) 0.000657 807. 864.
833(37) 0.000730 810. 867.
859(38) 0.000693 812. 870.
895(39) 0.000657 815. 872.
882(38) 0.000693 817. 875.
865(38) 0.000693 820. 877.
872(38) 0.000693 822. 880.
851(38) 0.000693 825. 882.
895(39) 0.000657 828. 885.
911(39) 0.000657 830. 887.
886(39) 0.000657 833. 890.
932(39) 0.000657 836. 893.
933(39) 0.000657 838. 895.
962(40) 0.000625 841. 898.
944(40) 0.000625 844. 900.
964(40) 0.000625 847. 903.
931(39) 0.000657 849. 905.
877(38) 0.000693 852. 908.
895(39) 0.000657 855. 910.
896(39) 0.000657 858. 913.
897(39) 0.000657 861. 915.
899(39) 0.000657 864. 918.
904(39) 0.000657 866. 921.
934(39) 0.000657 869. 923.
924(39) 0.000657 872. 926.
948(40) 0.000625 875. 928.
923(39) 0.000657 878. 931.
926(39) 0.000657 881. 934.
946(40) 0.000625 884. 936.
1030(41) 0.000595 887. 939.
1017(41) 0.000595 890. 942.
900(39) 0.000657 893. 945.
916(39) 0.000657 896. 947.
977(40) 0.000625 900. 950.
1009(41) 0.000595 903. 953.
933(39) 0.000657 906. 956.
908(39) 0.000657 909. 959.
975(40) 0.000625 912. 962.
992(41) 0.000595 915. 965.
990(41) 0.000595 919. 968.
915(39) 0.000657 922. 971.
956(40) 0.000625 925. 974.
997(41) 0.000595 929. 977.
1024(41) 0.000595 932. 980.
979(40) 0.000625 935. 984.
967(40) 0.000625 939. 987.
941(40) 0.000625 942. 990.
1029(41) 0.000595 945. 994.
989(41) 0.000595 949. 997.
986(40) 0.000625 952. 1001.
979(40) 0.000625 956. 1004.
957(40) 0.000625 959. 1008.
1014(41) 0.000595 963. 1011.
969(40) 0.000625 966. 1015.
997(41) 0.000595 970. 1019.
984(40) . . .
993(41) . . .
1028(41) . . .
982(40) . . .
928(39) . . .
961(40) . . .
999(41) . . .
1031(41) . . .
984(40) . . .
933(39) . . .
992(41) . . .
1066(42) . . .
1053(42) . . .
1012(41) . . .
1051(42) . . .
1052(42) . . .
988(41) . . .
1025(41) . . .
964(40) . . .
1096(43) . . .
1064(42) . . .
1032(41) . . .
1064(42) . . .
1043(42) . . .
1098(43) . . .
1119(43) . . .
1012(41) . . .
1042(42) . . .
1019(41) . . .
1070(42) . . .
1115(43) . . .
1120(43) . . .
1109(43) . . .
1059(42) . . .
1095(43) . . .
1119(43) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             805
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.052
_reflns_d_resolution_low         12.953
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002998'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_BAREFINAL_publ

_pd_block_id                     2014-05-06T14:52|BAREFINAL|Jason_Lee|bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-05-06T14:52
_audit_update_record             
; 2014-05-06T14:52  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  Blue # use ICDD colour descriptions
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     35
_refine_ls_goodness_of_fit_all   1.09
_refine_ls_number_restraints     1
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from C:/Users/George/Documents/Research/Structure Refinement/6412'
_cell_length_a                   25.8733(7)
_cell_length_b                   25.8733
_cell_length_c                   6.25768(20)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3627.84(15)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Cu Cu 0.38634(20) 0.34840(21) 0.1754(8) 1.0 Uiso 0.0001(13) 18
O O1 0.35510(34) 0.30258(28) 0.4374(11) 1.0 Uiso 0.0116(11) 18
O O2 0.29202(33) 0.22434(31) 0.6278(11) 1.0 Uiso 0.0116(11) 18
O O3 0.35912(34) 0.27591(29) 0.0047(11) 1.0 Uiso 0.0116(11) 18
C C1 0.32357(28) 0.24801(26) 0.4654(10) 1.0 Uiso 0.0106(5) 18
C C2 0.32674(27) 0.20637(26) 0.3030(10) 1.0 Uiso 0.0106(5) 18
C C3 0.34801(30) 0.22354(27) 0.0931(11) 1.0 Uiso 0.0106(5) 18
C C4 0.35445(25) 0.18397(31) -0.0404(10) 1.0 Uiso 0.0106(5) 18
H H 0.3687(5) 0.1963(5) -0.2043(16) 1.0 Uiso 0.0208(33) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4 H Cu O3'
_chemical_formula_weight         160.60
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu Cu 2.974(6) . 103_554 N
Cu Cu 2.974(6) . 202_555 N
Cu O1 1.946(7) . 1_555 N
Cu O1 2.441(7) . 103_554 N
Cu O1 2.871(7) . 202_554 N
Cu O2 1.944(9) . 202_554 N
Cu O3 1.958(7) . 1_555 N
Cu O3 1.989(8) . 202_555 N
Cu C1 2.908(8) . 1_555 N
Cu C1 2.720(8) . 202_554 N
Cu C3 2.912(8) . 1_555 N
Cu C3 2.912(8) . 202_555 N
O1 Cu 1.946(7) . 1_555 N
O1 Cu 2.871(7) . 103_555 N
O1 Cu 2.441(7) . 202_555 N
O1 O2 2.209(10) . 1_555 N
O1 O3 2.685(9) . 202_555 N
O1 C1 1.240(8) . 1_555 N
O1 C2 2.370(8) . 1_555 N
O2 Cu 1.944(9) . 103_555 N
O2 O1 2.209(10) . 1_555 N
O2 C1 1.255(9) . 1_555 N
O2 C2 2.360(10) . 1_555 N
O3 Cu 1.958(7) . 1_555 N
O3 Cu 1.989(8) . 103_554 N
O3 O1 2.685(9) . 103_554 N
O3 C2 2.433(10) . 1_555 N
O3 C3 1.354(8) . 1_555 N
O3 C4 2.338(8) . 1_555 N
C1 Cu 2.908(8) . 1_555 N
C1 Cu 2.720(8) . 103_555 N
C1 O1 1.240(8) . 1_555 N
C1 O2 1.255(9) . 1_555 N
C1 C2 1.513(8) . 1_555 N
C2 O1 2.370(8) . 1_555 N
C2 O2 2.360(10) . 1_555 N
C2 O3 2.433(10) . 1_555 N
C2 C1 1.513(8) . 1_555 N
C2 C3 1.408(7) . 1_555 N
C2 C4 1.399(8) . -201_444 N
C3 Cu 2.912(8) . 1_555 N
C3 Cu 2.912(8) . 103_554 N
C3 O3 1.354(8) . 1_555 N
C3 C2 1.408(7) . 1_555 N
C3 C4 1.394(7) . 1_555 N
C4 O3 2.338(8) . 1_555 N
C4 C2 1.399(8) . -201_444 N
C4 C3 1.394(7) . 1_555 N
C4 H 1.082(14) . 1_555 N
H C4 1.082(14) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu O2 160.9(5) 1_555 . 202_554 N
O1 Cu O3 92.0(4) 1_555 . 1_555 N
O1 Cu O3 86.05(31) 1_555 . 202_555 N
O2 Cu O3 94.58(33) 202_554 . 1_555 N
O2 Cu O3 92.3(4) 202_554 . 202_555 N
O3 Cu O3 164.2(4) 1_555 . 202_555 N
Cu O1 C1 130.5(6) 1_555 . 1_555 N
Cu O2 C1 114.8(6) 103_555 . 1_555 N
Cu O3 Cu 97.79(35) 1_555 . 103_554 N
Cu O3 C3 122.0(6) 1_555 . 1_555 N
Cu O3 C3 119.9(6) 103_554 . 1_555 N
O1 C1 O2 124.6(7) 1_555 . 1_555 N
O1 C1 C2 118.5(6) 1_555 . 1_555 N
O2 C1 C2 116.7(6) 1_555 . 1_555 N
C1 C2 C3 123.6(6) 1_555 . 1_555 N
C1 C2 C4 117.2(6) 1_555 . -201_555 N
C3 C2 C4 119.0(6) 1_555 . -201_555 N
O3 C3 C2 123.4(7) 1_555 . 1_555 N
O3 C3 C4 116.5(6) 1_555 . 1_555 N
C2 C3 C4 119.9(6) 1_555 . 1_555 N
C2 C4 C3 121.1(5) -201_555 . 1_555 N
C2 C4 H 118.9(8) -201_555 . 1_555 N
C3 C4 H 119.9(8) 1_555 . 1_555 N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

_vrf_PLAT602_BAREFINAL_publ      
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: This is expected because the material is very porous and has been activated.
;

_vrf_PLAT341_FE2OH2dobdc_100K    
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0200 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      10
_diffrn_source                   ?
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Cu 18.0 0.7718 International_Tables_Vol_C
O 54.0 0.5803 International_Tables_Vol_C
C 72.0 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.0775
_pd_proc_ls_prof_R_factor        0.0276
_pd_proc_ls_prof_wR_factor       0.0337
_pd_proc_ls_prof_wR_expected     0.0311
_refine_ls_R_Fsqd_factor         0.03035

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    829.216     2:   -233.135     3:    137.123     4:   -53.5159    
      5:    57.2158     6:   -39.3854     7:    24.3466     8:   -16.4659    
      9:    22.8776    10:   -14.1161    11:    6.30198    12:   -2.67795    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  375.200 #2(GV)   = -244.083 #3(GW)   =   74.250
 #4(GP)   =   46.565 #5(LX)   =    3.248 #6(LY)   =   19.616
 #7(S/L)  =   0.0416 #8(H/L)  =   0.0297
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-05-06T14:52:59
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5201
_pd_proc_2theta_range_max        166.2701
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
6960(180) 0.0 2047. .
6030(170) 0.0 2035. .
5750(160) 0.0 2023. .
5090(150) 0.0 2011. .
4650(150) 0.0 2000. .
4370(140) 0.0 1988. .
3980(130) 0.0 1977. .
3640(130) 0.0 1966. .
3550(130) 0.0 1954. .
3130(120) 0.0 1943. .
3270(120) 0.0 1932. .
2960(120) 0.0 1921. .
2930(120) 0.0 1911. .
2920(120) 0.0 1900. .
2800(110) 0.0 1890. .
2700(110) 0.0 1879. .
2770(110) 0.0 1869. .
2830(110) 0.0 1859. .
2910(120) 0.0 1848. .
2900(120) 0.0 1838. .
2890(110) 0.0 1828. .
2850(110) 0.0 1819. .
2580(110) 0.0 1809. .
2670(110) 0.0 1799. .
2630(110) 0.0 1790. .
2580(110) 0.0 1780. .
2670(110) 0.0 1771. .
2720(110) 0.0 1762. .
2550(110) 0.0 1753. .
2310(100) 0.0 1743. .
2370(100) 0.0 1735. .
2520(110) 0.0 1726. .
2520(110) 0.0 1717. .
2159(99) 0.0 1708. .
2320(100) 0.0 1700. .
2360(100) 0.0 1691. .
2200(100) 0.0 1683. .
2260(100) 0.0 1674. .
2190(100) 0.0 1666. .
2145(99) 0.0 1658. .
2140(98) 0.0 1650. .
2026(96) 0.0 1642. .
2054(96) 0.0 1634. .
2031(96) 0.0 1626. .
1967(94) 0.0 1618. .
1843(91) 0.0 1610. .
2008(95) 0.0 1603. .
2003(95) 0.0 1595. .
1907(93) 0.0 1588. .
1834(91) 0.0 1580. .
1798(90) 0.0 1573. .
1574(84) 0.0 1566. .
1702(88) 0.0 1559. .
1651(86) 0.0 1552. .
1711(88) 0.0 1545. .
1853(92) 0.0 1538. .
1619(86) 0.0 1531. .
1610(85) 0.0 1524. .
1789(90) 0.0 1517. .
1665(87) 0.0 1511. .
1875(92) 0.0 1504. .
1715(88) 0.0 1498. .
1688(87) 0.0 1491. .
1743(89) 0.0 1485. .
1469(81) 0.0 1479. .
1546(84) 0.0 1472. .
1661(87) 0.0 1466. .
1679(87) 0.0 1460. .
1528(83) 0.0 1454. .
1519(83) 0.0 1448. .
1587(85) 0.0 1442. .
1446(81) 0.0001524 1436. 1436.
1514(83) 0.0001452 1431. 1431.
1304(77) 0.0001687 1425. 1425.
1409(80) 0.0001562 1419. 1419.
1450(81) 0.0001524 1414. 1414.
1460(81) 0.0001524 1408. 1408.
1537(83) 0.0001452 1403. 1403.
1277(76) 0.0001731 1397. 1397.
1414(80) 0.0001562 1392. 1392.
1437(80) 0.0001562 1387. 1387.
1364(78) 0.0001644 1381. 1381.
1496(82) 0.0001487 1376. 1376.
1364(78) 0.0001644 1371. 1371.
1514(83) 0.0001452 1366. 1366.
1409(80) 0.0001562 1361. 1361.
1423(80) 0.0001562 1356. 1356.
1341(78) 0.0001644 1351. 1351.
1263(75) 0.0001778 1346. 1346.
1236(75) 0.0001778 1342. 1342.
1496(82) 0.0001487 1337. 1337.
1341(78) 0.0001644 1332. 1332.
1373(79) 0.0001602 1328. 1328.
1377(79) 0.0001602 1323. 1323.
1190(73) 0.0001877 1318. 1318.
1226(74) 0.0001826 1314. 1314.
1108(71) 0.0001984 1310. 1310.
1286(76) 0.0001731 1305. 1305.
1181(73) 0.0001877 1301. 1301.
1172(73) 0.0001877 1297. 1297.
1447(55) 0.0003306 1292. 1314.
1350(53) 0.000356 1288. 1311.
1409(54) 0.0003429 1284. 1308.
1400(54) 0.0003429 1280. 1305.
1285(52) 0.000370 1276. 1302.
1328(53) 0.000356 1272. 1299.
1296(52) 0.000370 1268. 1296.
1252(51) 0.000384 1264. 1294.
1268(51) 0.000384 1260. 1291.
1292(52) 0.000370 1256. 1289.
1270(51) 0.000384 1253. 1287.
1251(51) 0.000384 1249. 1285.
1309(52) 0.000370 1245. 1283.
1165(49) 0.000416 1242. 1282.
1274(51) 0.000384 1238. 1280.
1221(50) 0.000400 1234. 1279.
1206(50) 0.000400 1231. 1279.
1192(50) 0.000400 1227. 1278.
1362(53) 0.000356 1224. 1278.
1256(51) 0.000384 1221. 1278.
1201(50) 0.000400 1217. 1279.
1199(50) 0.000400 1214. 1280.
1294(52) 0.000370 1211. 1282.
1333(53) 0.000356 1207. 1285.
1336(53) 0.000356 1204. 1288.
1269(51) 0.000384 1201. 1292.
1408(54) 0.0003429 1198. 1298.
1380(54) 0.0003429 1195. 1305.
1393(54) 0.0003429 1192. 1313.
1574(57) 0.0003078 1189. 1325.
1579(58) 0.0002973 1186. 1342.
1654(59) 0.0002873 1183. 1369.
1861(63) 0.0002520 1180. 1415.
1808(62) 0.0002601 1177. 1496.
1956(64) 0.0002441 1174. 1632.
2117(67) 0.0002228 1172. 1841.
2478(73) 0.0001877 1169. 2135.
2627(75) 0.0001778 1166. 2515.
2902(79) 0.0001602 1163. 2978.
3442(86) 0.0001352 1161. 3518.
3828(91) 0.0001208 1158. 4134.
4494(98) 0.0001041 1155. 4834.
5010(100) 0.0000925 1153. 5632.
5840(110) 0.0000797 1150. 6552.
7090(120) 0.0000650 1148. 7629.
8410(140) 0.0000549 1145. 8918.
9700(150) 0.0000476 1143. 10509.
12020(160) 0.0000381 1140. 12545.
15180(180) 0.0000302 1138. 15228.
18930(200) 0.0000243 1136. 18731.
23890(230) 0.0000192 1133. 22970.
28290(250) 0.0000163 1131. 27269.
30580(260) 0.0000150 1129. 30245.
30210(260) 0.0000151 1126. 30250.
26770(240) 0.0000171 1124. 26480.
20040(210) 0.0000229 1122. 20059.
13760(170) 0.0000334 1120. 13320.
8260(130) 0.0000565 1118. 8011.
4860(100) 0.0000961 1116. 4658.
2920(79) 0.0001602 1114. 2903.
2001(65) 0.0002367 1111. 2106.
1607(58) 0.0002973 1109. 1763.
1483(56) 0.0003189 1107. 1602.
1468(55) 0.0003306 1105. 1508.
1370(53) 0.000356 1103. 1442.
1366(53) 0.000356 1102. 1391.
1299(52) 0.000370 1100. 1350.
1248(51) 0.000384 1098. 1317.
1318(52) 0.000370 1096. 1289.
1236(51) 0.000384 1094. 1266.
1137(48) 0.000434 1092. 1246.
1225(50) 0.000400 1090. 1229.
1208(50) 0.000400 1089. 1214.
1119(48) 0.000434 1087. 1201.
1090(47) 0.000453 1085. 1189.
1086(47) 0.000453 1083. 1179.
1183(49) 0.000416 1082. 1169.
1129(48) 0.000434 1080. 1161.
1104(48) 0.000434 1078. 1153.
1023(46) 0.000473 1077. 1146.
1102(48) 0.000434 1075. 1140.
1110(48) 0.000434 1074. 1134.
1019(46) 0.000473 1072. 1129.
1049(46) 0.000473 1071. 1124.
1085(47) 0.000453 1069. 1119.
1145(49) 0.000416 1067. 1115.
1068(47) 0.000453 1066. 1110.
1110(48) 0.000434 1065. 1106.
1063(47) 0.000453 1063. 1103.
1072(47) 0.000453 1062. 1099.
1085(47) 0.000453 1060. 1096.
1107(48) 0.000434 1059. 1093.
1014(45) 0.000494 1057. 1090.
1058(47) 0.000453 1056. 1087.
1099(48) 0.000434 1055. 1084.
1035(46) 0.000473 1053. 1081.
1109(65) 0.0002367 1052. 1079.
1096(64) 0.0002441 1051. 1076.
1062(63) 0.0002520 1050. 1074.
1082(64) 0.0002441 1048. 1048.
1124(48) 0.000434 1047. 1047.
1079(46) 0.000473 1046. 1046.
1072(46) 0.000473 1045. 1045.
1066(46) 0.000473 1043. 1043.
1054(46) 0.000473 1042. 1042.
1098(47) 0.000453 1041. 1041.
1058(46) 0.000473 1040. 1040.
992(44) 0.000517 1039. 1039.
1009(45) 0.000494 1038. 1038.
1062(46) 0.000473 1037. 1037.
1063(46) 0.000473 1035. 1035.
1034(45) 0.000494 1034. 1034.
1119(47) 0.000453 1033. 1033.
1082(47) 0.000453 1032. 1032.
1049(46) 0.000473 1031. 1031.
1030(45) 0.000494 1030. 1030.
1045(46) 0.000473 1029. 1029.
1060(46) 0.000473 1028. 1028.
1043(46) 0.000473 1027. 1027.
1026(45) 0.000494 1026. 1026.
1056(46) 0.000473 1025. 1025.
1008(45) 0.000494 1024. 1024.
1059(46) 0.000473 1023. 1023.
993(44) 0.000517 1023. 1023.
1019(45) 0.000494 1022. 1022.
1012(45) 0.000494 1021. 1021.
1038(46) 0.000473 1020. 1020.
1049(46) 0.000473 1019. 1019.
1020(45) 0.000494 1018. 1018.
1014(45) 0.000494 1017. 1017.
1005(45) 0.000494 1016. 1016.
1053(46) 0.000473 1016. 1016.
1043(46) 0.000473 1015. 1015.
1011(45) 0.000494 1014. 1014.
1028(45) 0.000494 1013. 1013.
1062(46) 0.000473 1012. 1017.
1022(45) 0.000494 1012. 1016.
1064(46) 0.000473 1011. 1015.
1055(46) 0.000473 1010. 1015.
1053(46) 0.000473 1009. 1014.
1016(45) 0.000494 1008. 1014.
993(44) 0.000517 1008. 1013.
992(44) 0.000517 1007. 1013.
1047(46) 0.000473 1006. 1012.
1029(45) 0.000494 1006. 1012.
1069(46) 0.000473 1005. 1012.
1047(46) 0.000473 1004. 1011.
1029(45) 0.000494 1003. 1011.
1031(45) 0.000494 1003. 1011.
1003(45) 0.000494 1002. 1010.
1002(45) 0.000494 1001. 1010.
966(44) 0.000517 1001. 1010.
1001(45) 0.000494 1000. 1010.
1022(45) 0.000494 1000. 1010.
1039(46) 0.000473 999. 1010.
946(43) 0.000541 998. 1010.
1055(46) 0.000473 998. 1010.
1021(45) 0.000494 997. 1010.
1021(45) 0.000494 996. 1010.
1063(46) 0.000473 996. 1011.
1018(45) 0.000494 995. 1011.
1005(45) 0.000494 995. 1012.
1021(45) 0.000494 994. 1013.
999(45) 0.000494 994. 1014.
1009(45) 0.000494 993. 1015.
1087(47) 0.000453 992. 1017.
1102(47) 0.000453 992. 1018.
1090(47) 0.000453 991. 1021.
1029(45) 0.000494 991. 1023.
1043(46) 0.000473 990. 1026.
1099(47) 0.000453 990. 1030.
1069(46) 0.000473 989. 1035.
1013(45) 0.000494 989. 1041.
1056(46) 0.000473 988. 1049.
1127(48) 0.000434 988. 1060.
1160(48) 0.000434 987. 1076.
1220(50) 0.000400 987. 1105.
1301(51) 0.000384 986. 1155.
1300(51) 0.000384 986. 1242.
1446(54) 0.0003429 985. 1382.
1732(60) 0.0002778 985. 1592.
1947(64) 0.0002441 984. 1888.
2438(72) 0.0001929 984. 2292.
2911(78) 0.0001644 983. 2838.
3674(88) 0.0001291 983. 3572.
4650(100) 0.0001000 983. 4527.
5800(110) 0.0000797 982. 5641.
6730(120) 0.0000683 982. 6694.
7080(120) 0.0000650 981. 7300.
6970(120) 0.0000661 981. 7076.
5610(110) 0.0000826 980. 5984.
4227(95) 0.0001108 980. 4477.
2871(78) 0.0001644 980. 3098.
2027(65) 0.0002367 979. 2126.
1509(56) 0.0003189 979. 1569.
1260(51) 0.000384 978. 1298.
1117(69) 0.0002100 978. 1178.
1117(47) 0.000453 977. 1123.
1085(46) 0.000473 977. 1092.
1032(45) 0.000494 977. 1072.
1051(45) 0.000494 976. 1058.
1045(45) 0.000494 976. 1046.
1087(46) 0.000473 975. 1037.
1060(45) 0.000494 975. 1029.
1040(45) 0.000494 975. 1023.
996(44) 0.000517 974. 1018.
1024(45) 0.000494 974. 1013.
1051(45) 0.000494 974. 1010.
994(44) 0.000517 973. 1006.
1001(44) 0.000517 973. 1004.
996(44) 0.000517 973. 1001.
1039(45) 0.000494 972. 999.
1010(44) 0.000517 972. 998.
1032(45) 0.000494 971. 996.
1018(44) 0.000517 971. 995.
990(44) 0.000517 971. 994.
944(43) 0.000541 970. 993.
1047(45) 0.000494 970. 993.
1022(44) 0.000517 970. 992.
1018(44) 0.000517 969. 992.
992(44) 0.000517 969. 992.
964(43) 0.000541 969. 993.
964(43) 0.000541 968. 994.
1000(44) 0.000517 968. 995.
932(42) 0.000567 968. 997.
1022(44) 0.000517 967. 1000.
1028(45) 0.000494 967. 1005.
1038(45) 0.000494 967. 1013.
1058(45) 0.000494 966. 1029.
1157(48) 0.000434 966. 1056.
1169(48) 0.000434 966. 1104.
1234(49) 0.000416 965. 1179.
1228(49) 0.000416 965. 1292.
1320(51) 0.000384 965. 1455.
1561(56) 0.0003189 964. 1675.
1991(63) 0.0002520 964. 1971.
2405(70) 0.0002041 964. 2314.
2528(72) 0.0001929 963. 2630.
2808(76) 0.0001731 963. 2800.
2630(73) 0.0001877 963. 2713.
2282(68) 0.0002163 963. 2373.
1850(61) 0.0002687 962. 1930.
1431(53) 0.000356 962. 1540.
1220(49) 0.000416 962. 1273.
1078(46) 0.000473 961. 1123.
1001(44) 0.000517 961. 1051.
968(43) 0.000541 961. 1019.
981(44) 0.000517 960. 1004.
997(44) 0.000517 960. 995.
1028(45) 0.000494 960. 989.
1009(44) 0.000517 959. 985.
1014(44) 0.000517 959. 981.
1020(44) 0.000517 959. 978.
944(43) 0.000541 959. 976.
990(44) 0.000517 958. 976.
1026(45) 0.000494 958. 975.
955(43) 0.000541 958. 975.
974(43) 0.000541 957. 977.
955(43) 0.000541 957. 981.
1004(44) 0.000517 957. 988.
1031(45) 0.000494 956. 999.
1042(45) 0.000494 956. 1016.
1067(46) 0.000473 956. 1040.
1020(44) 0.000517 956. 1069.
1145(47) 0.000453 955. 1099.
1151(47) 0.000453 955. 1120.
1113(47) 0.000453 955. 1120.
1056(45) 0.000494 954. 1097.
1074(46) 0.000473 954. 1059.
1018(44) 0.000517 954. 1021.
1016(44) 0.000517 954. 994.
1005(44) 0.000517 953. 977.
949(43) 0.000541 953. 969.
961(43) 0.000541 953. 965.
1018(44) 0.000517 952. 963.
1028(45) 0.000494 952. 962.
946(43) 0.000541 952. 961.
973(43) 0.000541 951. 960.
948(43) 0.000541 951. 960.
956(43) 0.000541 951. 960.
976(43) 0.000541 951. 959.
989(44) 0.000517 950. 959.
984(44) 0.000517 950. 959.
914(42) 0.000567 950. 959.
977(43) 0.000541 949. 959.
999(44) 0.000517 949. 960.
1027(45) 0.000494 949. 960.
1030(45) 0.000494 949. 960.
958(43) 0.000541 948. 961.
943(43) 0.000541 948. 962.
955(43) 0.000541 948. 963.
926(42) 0.000567 947. 963.
978(43) 0.000541 947. 966.
960(43) 0.000541 947. 968.
951(43) 0.000541 946. 971.
1012(44) 0.000517 946. 975.
1035(43) 0.000541 946. 982.
969(41) 0.000595 946. 993.
1003(42) 0.000567 945. 1012.
1010(42) 0.000567 945. 1047.
1115(45) 0.000494 945. 1109.
1175(46) 0.000473 944. 1214.
1354(49) 0.000416 944. 1379.
1562(53) 0.000356 944. 1620.
1892(59) 0.0002873 944. 1941.
2305(65) 0.0002367 943. 2306.
2806(72) 0.0001929 943. 2629.
2939(74) 0.0001826 943. 2776.
2782(72) 0.0001929 942. 2643.
2322(65) 0.0002367 942. 2271.
1677(55) 0.0003306 942. 1829.
1403(50) 0.000400 941. 1463.
1233(47) 0.000453 941. 1222.
1098(44) 0.000517 941. 1092.
1010(42) 0.000567 940. 1030.
988(42) 0.000567 940. 1002.
936(41) 0.000595 940. 988.
951(41) 0.000595 940. 979.
990(42) 0.000567 939. 973.
969(41) 0.000595 939. 969.
944(41) 0.000595 939. 965.
888(39) 0.000657 938. 963.
916(40) 0.000625 938. 961.
890(39) 0.000657 938. 959.
935(41) 0.000595 937. 958.
925(40) 0.000625 937. 956.
927(40) 0.000625 937. 956.
1011(42) 0.000567 936. 955.
931(40) 0.000625 936. 955.
953(41) 0.000595 936. 955.
983(42) 0.000567 936. 955.
971(41) 0.000595 935. 956.
978(42) 0.000567 935. 957.
958(41) 0.000595 935. 959.
907(40) 0.000625 934. 961.
1019(42) 0.000567 934. 965.
988(42) 0.000567 934. 971.
974(41) 0.000595 933. 983.
973(41) 0.000595 933. 1006.
1043(43) 0.000541 933. 1045.
1103(44) 0.000517 932. 1109.
1186(46) 0.000473 932. 1208.
1349(49) 0.000416 932. 1341.
1482(52) 0.000370 931. 1497.
1653(55) 0.0003306 931. 1638.
1738(56) 0.0003189 931. 1709.
1649(55) 0.0003306 930. 1664.
1489(52) 0.000370 930. 1518.
1388(50) 0.000400 930. 1342.
1193(46) 0.000473 929. 1200.
1073(44) 0.000517 929. 1115.
1066(44) 0.000517 929. 1089.
1143(45) 0.000494 929. 1118.
1233(47) 0.000453 928. 1205.
1406(50) 0.000400 928. 1368.
1618(54) 0.0003429 928. 1629.
2015(61) 0.0002687 927. 1999.
2511(68) 0.0002163 927. 2448.
3032(75) 0.0001778 927. 2876.
3177(77) 0.0001687 926. 3125.
3089(76) 0.0001731 926. 3044.
2526(68) 0.0002163 926. 2642.
2213(64) 0.0002441 925. 2109.
1702(56) 0.0003189 925. 1639.
1346(49) 0.000416 925. 1317.
1158(45) 0.000494 924. 1136.
1019(42) 0.000567 924. 1047.
1114(45) 0.000494 924. 1006.
945(41) 0.000595 923. 985.
997(42) 0.000567 923. 973.
966(41) 0.000595 923. 965.
883(39) 0.000657 922. 958.
940(41) 0.000595 922. 953.
1034(43) 0.000541 922. 949.
1054(43) 0.000541 921. 946.
1004(42) 0.000567 921. 943.
928(40) 0.000625 920. 941.
924(40) 0.000625 920. 938.
889(39) 0.000657 920. 937.
920(40) 0.000625 919. 935.
982(42) 0.000567 919. 934.
891(40) 0.000625 919. 932.
953(41) 0.000595 918. 931.
913(40) 0.000625 918. 930.
898(40) 0.000625 918. 930.
883(39) 0.000657 917. 929.
967(41) 0.000595 917. 928.
938(41) 0.000595 917. 928.
920(40) 0.000625 916. 927.
948(41) 0.000595 916. 927.
914(40) 0.000625 916. 926.
924(40) 0.000625 915. 926.
904(40) 0.000625 915. 926.
960(41) 0.000595 915. 926.
944(41) 0.000595 914. 926.
946(41) 0.000595 914. 926.
887(39) 0.000657 914. 927.
973(41) 0.000595 913. 927.
947(41) 0.000595 913. 927.
875(39) 0.000657 913. 928.
936(40) 0.000625 912. 929.
890(39) 0.000657 912. 931.
886(39) 0.000657 911. 933.
935(40) 0.000625 911. 936.
951(41) 0.000595 911. 940.
895(39) 0.000657 910. 948.
953(41) 0.000595 910. 963.
962(41) 0.000595 910. 991.
993(42) 0.000567 909. 1041.
1086(44) 0.000517 909. 1128.
1184(46) 0.000473 909. 1262.
1439(51) 0.000384 908. 1440.
1626(54) 0.0003429 908. 1632.
1788(57) 0.0003078 908. 1783.
1772(57) 0.0003078 907. 1818.
1684(55) 0.0003306 907. 1707.
1472(51) 0.000384 906. 1502.
1261(47) 0.000453 906. 1297.
1111(44) 0.000517 906. 1146.
1078(44) 0.000517 905. 1063.
1000(42) 0.000567 905. 1039.
1002(42) 0.000567 905. 1062.
1137(45) 0.000494 904. 1129.
1217(46) 0.000473 904. 1237.
1305(48) 0.000434 904. 1374.
1439(51) 0.000384 903. 1507.
1574(53) 0.000356 903. 1584.
1537(53) 0.000356 902. 1559.
1490(52) 0.000370 902. 1435.
1336(49) 0.000416 902. 1274.
1158(45) 0.000494 901. 1133.
1127(45) 0.000494 901. 1037.
1035(43) 0.000541 901. 983.
994(42) 0.000567 900. 958.
918(40) 0.000625 900. 947.
910(40) 0.000625 900. 943.
887(39) 0.000657 899. 944.
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1930(45) 0.000494 794. 2000.
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900(31) 0.001041 790.7 890.9
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883(30) 0.001111 790.4 923.3
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943(30) 0.001111 789.7 931.3
925(30) 0.001111 789.7 886.3
864(29) 0.001189 789.6 857.3
856(29) 0.001189 789.5 839.5
831(28) 0.001276 789.5 828.7
824(28) 0.001276 789.4 822.1
783(27) 0.001372 789.4 817.8
809(28) 0.001276 789.3 814.8
768(27) 0.001372 789.3 812.4
800(28) 0.001276 789.2 810.6
794(27) 0.001372 789.1 809.3
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818(28) 0.001276 788.9 807.8
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862(29) 0.001189 788.1 840.4
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994(31) 0.001041 787.8 880.7
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959(30) 0.001111 786.7 958.3
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862(29) 0.001189 786.4 892.7
883(29) 0.001189 786.3 912.2
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1080(32) 0.000977 786.1 1098.1
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1391(37) 0.000730 786. 1404.
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1883(43) 0.000541 786. 1810.
1993(44) 0.000517 786. 1978.
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1979(44) 0.000517 786. 2077.
1996(44) 0.000517 786. 1957.
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880(29) 0.001189 783.9 877.1
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855(29) 0.001189 783.8 871.6
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1005(30) 0.001111 782.8 983.2
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1094(31) 0.001041 780.2 1098.6
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938(29) 0.001189 779.8 950.1
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1071(31) 0.001041 779.2 1120.5
1129(32) 0.000977 779.1 1095.3
1045(30) 0.001111 779.0 1045.4
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818(26) 0.001479 771.1 834.0
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959(28) 0.001276 770.5 941.3
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993(29) 0.001189 770.3 1010.5
1014(29) 0.001189 770.1 1028.0
1039(29) 0.001189 770.0 1029.3
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1025(29) 0.001189 769.5 1003.0
1012(29) 0.001189 769.4 997.9
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963(28) 0.001276 768.9 955.8
917(27) 0.001372 768.8 954.4
900(27) 0.001372 768.6 953.6
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915(27) 0.001372 768.4 933.2
909(27) 0.001372 768.3 912.7
862(27) 0.001372 768.1 891.2
858(26) 0.001479 768.0 872.7
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851(26) 0.001479 767.5 871.3
882(27) 0.001372 767.4 899.7
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1136(31) 0.001041 767.0 1100.5
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999(29) 0.001189 765.5 956.8
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887(27) 0.001372 765.2 889.8
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885(27) 0.001372 765.0 888.1
897(27) 0.001372 764.8 904.2
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1014(29) 0.001189 764.6 950.9
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952(28) 0.001276 764.3 974.3
989(28) 0.001276 764.1 964.9
962(28) 0.001276 764.0 945.7
925(28) 0.001276 763.9 924.7
903(27) 0.001372 763.7 907.8
912(27) 0.001372 763.6 897.7
950(28) 0.001276 763.4 894.1
894(27) 0.001372 763.3 894.2
898(27) 0.001372 763.2 893.1
864(27) 0.001372 763.0 886.3
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833(26) 0.001479 762.6 839.2
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790(25) 0.001600 762.3 811.5
810(26) 0.001479 762.2 802.4
795(25) 0.001600 762.0 796.2
770(25) 0.001600 761.9 792.3
751(25) 0.001600 761.7 790.5
776(25) 0.001600 761.6 789.6
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762(25) 0.001600 761.3 790.5
738(25) 0.001600 761.2 792.4
750(25) 0.001600 761.0 795.7
741(25) 0.001600 760.9 801.3
790(26) 0.001479 760.7 810.5
816(26) 0.001479 760.6 824.9
852(27) 0.001372 760.4 846.7
853(27) 0.001372 760.3 877.3
954(28) 0.001276 760.1 917.4
951(28) 0.001276 760.0 965.3
954(28) 0.001276 759.9 1016.3
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1101(30) 0.001111 759.6 1090.2
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1042(29) 0.001189 759.3 1066.0
1055(30) 0.001111 759.1 1024.1
1013(29) 0.001189 759.0 979.2
976(28) 0.001276 758.8 941.0
910(27) 0.001372 758.7 916.0
864(27) 0.001372 758.5 907.6
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998(29) 0.001189 758.2 941.9
1065(30) 0.001111 758.1 979.8
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1063(30) 0.001111 757.8 1064.5
1078(30) 0.001111 757.6 1089.0
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1054(30) 0.001111 757.3 1059.8
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1033(29) 0.001189 757.0 964.3
926(28) 0.001276 756.8 916.3
881(27) 0.001372 756.7 875.4
829(26) 0.001479 756.5 843.6
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802(26) 0.001479 756.2 804.6
786(25) 0.001600 756.1 794.1
812(26) 0.001479 755.9 787.1
787(25) 0.001600 755.8 782.5
760(25) 0.001600 755.6 779.4
765(25) 0.001600 755.5 777.2
783(25) 0.001600 755.3 775.5
744(25) 0.001600 755.1 774.1
782(25) 0.001600 755.0 773.0
769(25) 0.001600 754.8 772.2
766(25) 0.001600 754.7 771.7
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745(25) 0.001600 754.2 771.5
780(25) 0.001600 754.0 772.1
782(25) 0.001600 753.9 773.2
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736(25) 0.001600 753.6 778.8
801(26) 0.001479 753.4 784.1
816(26) 0.001479 753.2 791.6
805(26) 0.001479 753.1 801.6
824(26) 0.001479 752.9 813.9
823(26) 0.001479 752.8 827.5
844(26) 0.001479 752.6 840.8
871(27) 0.001372 752.4 850.6
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1005(28) 0.001276 682.2 964.9
983(28) 0.001276 682.3 974.7
995(28) 0.001276 682.3 984.7
1002(28) 0.001276 682.4 995.0
1041(29) 0.001189 682.5 1005.3
975(28) 0.001276 682.6 1015.5
1002(28) 0.001276 682.7 1025.6
1006(28) 0.001276 682.8 1035.3
1041(29) 0.001189 682.9 1044.5
1039(29) 0.001189 683.0 1053.0
1077(29) 0.001189 683.1 1060.7
1034(29) 0.001189 683.2 1067.4
994(28) 0.001276 683.3 1073.0
1047(29) 0.001189 683.4 1077.3
1077(29) 0.001189 683.5 1080.2
1055(29) 0.001189 683.6 1081.8
1055(29) 0.001189 683.7 1081.9
1015(29) 0.001189 683.8 1080.7
1055(29) 0.001189 683.9 1078.1
1057(29) 0.001189 684.0 1074.2
1044(29) 0.001189 684.1 1069.2
1047(29) 0.001189 684.2 1063.0
1069(29) 0.001189 684.3 1056.0
1039(29) 0.001189 684.4 1048.1
1070(29) 0.001189 684.5 1039.5
1018(29) 0.001189 684.7 1030.4
1029(29) 0.001189 684.8 1020.9
1010(28) 0.001276 684.9 1011.1
994(28) 0.001276 685.0 1001.2
985(28) 0.001276 685.1 991.2
967(28) 0.001276 685.2 981.3
962(28) 0.001276 685.4 971.6
951(28) 0.001276 685.5 962.2
962(28) 0.001276 685.6 953.1
908(27) 0.001372 685.7 944.6
932(27) 0.001372 685.9 936.5
909(27) 0.001372 686.0 929.1
914(27) 0.001372 686.1 922.4
941(28) 0.001276 686.3 916.4
939(27) 0.001372 686.4 911.2
887(27) 0.001372 686.5 906.8
920(27) 0.001372 686.7 903.3
888(27) 0.001372 686.8 900.7
885(27) 0.001372 686.9 899.0
864(26) 0.001479 687.1 898.3
937(27) 0.001372 687.2 898.5
919(27) 0.001372 687.3 899.7
917(27) 0.001372 687.5 901.8
921(27) 0.001372 687.6 904.8
900(27) 0.001372 687.8 908.7
902(27) 0.001372 687.9 913.4
923(27) 0.001372 688.1 919.0
916(27) 0.001372 688.2 925.3
935(27) 0.001372 688.4 932.4
908(27) 0.001372 688.5 940.1
965(28) 0.001276 688.7 948.3
952(28) 0.001276 688.9 957.0
947(28) 0.001276 689.0 966.2
966(28) 0.001276 689.2 975.6
999(28) 0.001276 689.3 985.2
1004(28) 0.001276 689.5 995.0
1023(29) 0.001189 689.7 1004.7
1041(29) 0.001189 689.8 1014.2
1047(29) 0.001189 690.0 1023.5
1035(29) 0.001189 690.2 1032.5
1011(28) 0.001276 690.3 1041.0
1045(29) 0.001189 690.5 1049.0
1030(29) 0.001189 690.7 1056.4
1104(30) 0.001111 690.9 1063.2
1106(30) 0.001111 691.0 1069.4
1108(30) 0.001111 691.2 1074.8
1105(30) 0.001111 691.4 1079.6
1108(30) 0.001111 691.6 1083.8
1139(30) 0.001111 691.7 1087.2
1117(30) 0.001111 691.9 1090.0
1080(29) 0.001189 692.1 1092.2
1104(30) 0.001111 692.3 1093.7
1131(30) 0.001111 692.5 1094.5
1095(30) 0.001111 692.7 1094.7
1119(30) 0.001111 692.9 1094.1
1122(30) 0.001111 693.1 1092.8
1089(30) 0.001111 693.3 1090.7
1109(30) 0.001111 693.5 1087.9
1086(30) 0.001111 693.7 1084.2
1067(29) 0.001189 693.9 1079.6
1019(29) 0.001189 694.1 1074.2
1059(29) 0.001189 694.3 1067.9
1043(29) 0.001189 694.5 1060.8
1027(29) 0.001189 694.7 1052.9
1062(29) 0.001189 694.9 1044.3
1042(29) 0.001189 695.1 1035.1
995(28) 0.001276 695.3 1025.2
991(28) 0.001276 695.5 1015.0
1004(28) 0.001276 695.7 1004.3
969(28) 0.001276 695.9 993.4
999(28) 0.001276 696.2 982.3
1007(28) 0.001276 696.4 971.1
989(28) 0.001276 696.6 960.0
932(27) 0.001372 696.8 949.0
931(27) 0.001372 697.0 938.2
903(27) 0.001372 697.3 927.7
902(27) 0.001372 697.5 917.5
930(28) 0.001276 697.7 907.7
921(27) 0.001372 697.9 898.3
870(27) 0.001372 698.2 889.4
888(27) 0.001372 698.4 881.0
876(27) 0.001372 698.6 873.1
861(27) 0.001372 698.9 865.8
845(26) 0.001479 699.1 859.0
838(26) 0.001479 699.4 852.8
823(26) 0.001479 699.6 847.2
823(26) 0.001479 699.8 842.1
827(26) 0.001479 700.1 837.6
818(26) 0.001479 700.3 833.7
841(26) 0.001479 700.6 830.3
835(26) 0.001479 700.8 827.4
818(26) 0.001479 701.1 825.1
809(26) 0.001479 701.3 823.2
818(26) 0.001479 701.6 821.9
822(26) 0.001479 701.8 821.0
809(26) 0.001479 702.1 820.5
792(26) 0.001479 702.3 820.4
782(25) 0.001600 702.6 820.7
785(25) 0.001600 702.9 821.3
798(26) 0.001479 703.1 822.3
824(26) 0.001479 703.4 823.6
833(26) 0.001479 703.6 825.2
812(26) 0.001479 703.9 827.0
830(26) 0.001479 704.2 829.1
819(26) 0.001479 704.4 831.3
834(26) 0.001479 704.7 833.8
849(26) 0.001479 705.0 836.3
833(26) 0.001479 705.3 839.0
843(26) 0.001479 705.5 841.8
827(26) 0.001479 705.8 844.7
817(26) 0.001479 706.1 847.6
860(27) 0.001372 706.4 850.5
858(27) 0.001372 706.6 853.5
828(26) 0.001479 706.9 856.5
844(26) 0.001479 707.2 859.4
867(27) 0.001372 707.5 862.3
874(27) 0.001372 707.8 865.2
893(27) 0.001372 708.1 868.0
886(27) 0.001372 708.3 870.8
860(27) 0.001372 708.6 873.5
848(26) 0.001479 708.9 876.2
900(27) 0.001372 709.2 878.9
870(27) 0.001372 709.5 881.5
863(27) 0.001372 709.8 884.0
871(27) 0.001372 710.1 886.5
868(27) 0.001372 710.4 888.9
896(27) 0.001372 710.7 891.3
902(27) 0.001372 711.0 893.6
890(27) 0.001372 711.3 895.7
905(27) 0.001372 711.6 897.8
874(27) 0.001372 711.9 899.7
898(27) 0.001372 712.2 901.5
892(27) 0.001372 712.5 903.1
889(27) 0.001372 712.8 904.6
895(27) 0.001372 713.1 905.8
904(27) 0.001372 713.4 906.9
926(28) 0.001276 713.7 907.8
916(27) 0.001372 714.0 908.4
902(27) 0.001372 714.3 908.8
903(27) 0.001372 714.6 909.0
874(27) 0.001372 715.0 909.0
891(27) 0.001372 715.3 908.7
924(27) 0.001372 715.6 908.2
927(28) 0.001276 715.9 907.4
894(27) 0.001372 716.2 906.4
902(27) 0.001372 716.5 905.1
889(27) 0.001372 716.8 903.6
925(28) 0.001276 717.1 901.9
892(27) 0.001372 717.5 899.9
902(27) 0.001372 717.8 897.7
919(27) . . .
863(27) . . .
879(27) . . .
901(27) . . .
903(27) . . .
919(27) . . .
916(27) . . .
892(27) . . .
891(27) . . .
886(27) . . .
884(27) . . .
869(27) . . .
837(26) . . .
859(27) . . .
896(27) . . .
878(27) . . .
888(27) . . .
854(26) . . .
851(26) . . .
861(27) . . .
834(26) . . .
851(26) . . .
851(26) . . .
833(26) . . .
855(26) . . .
852(26) . . .
837(21) . . .
864(27) . . .
886(27) . . .
863(27) . . .
874(27) . . .
897(27) . . .
894(27) . . .
900(27) . . .
905(27) . . .
898(27) . . .
912(28) . . .
934(28) . . .
912(28) . . .
894(27) . . .
912(28) . . .
901(27) . . .
908(27) . . .
921(28) . . .
943(28) . . .
936(28) . . .
943(28) . . .
952(28) . . .
959(28) . . .
963(28) . . .
1005(29) . . .
1004(29) . . .
987(29) . . .
1052(29) . . .
1045(29) . . .
1039(29) . . .
1061(30) . . .
1061(30) . . .
1050(29) . . .
1040(29) . . .
1062(30) . . .
1074(30) . . .
1056(30) . . .
1052(29) . . .
1052(29) . . .
1080(30) . . .
1105(30) . . .
1109(30) . . .
1097(30) . . .
1093(30) . . .
1126(30) . . .
1139(31) . . .
1108(30) . . .
1103(30) . . .
1096(30) . . .
1169(31) . . .
1171(31) . . .
1127(30) . . .
1127(30) . . .
1121(30) . . .
1118(30) . . .
1149(31) . . .
1182(31) . . .
1159(31) . . .
1082(30) . . .
1111(30) . . .
1143(31) . . .
1147(31) . . .
1171(31) . . .
1110(30) . . .
1126(30) . . .
1153(31) . . .
1139(31) . . .
1152(31) . . .
1171(31) . . .
1147(31) . . .
1131(31) . . .
1113(30) . . .
1116(30) . . .
1152(31) . . .
1162(31) . . .
1118(30) . . .
1118(30) . . .
1120(30) . . .
1103(30) . . .
1126(30) . . .
1163(31) . . .
1144(31) . . .
1128(30) . . .
1151(31) . . .
1132(31) . . .
1144(31) . . .
1130(31) . . .
1125(30) . . .
1151(31) . . .
1138(31) . . .
1122(30) . . .
1122(30) . . .
1145(31) . . .
1146(31) . . .
1167(31) . . .
1182(31) . . .
1164(31) . . .
1146(31) . . .
1158(31) . . .
1222(32) . . .
1240(32) . . .
1192(32) . . .
1206(32) . . .
1223(32) . . .
1162(32) . . .
1159(31) . . .
1213(32) . . .
1229(32) . . .
1235(32) . . .
1240(32) . . .
1244(33) . . .
1228(32) . . .
1249(33) . . .
1251(33) . . .
1265(33) . . .
1295(33) . . .
1297(33) . . .
1299(33) . . .
1313(33) . . .
1339(34) . . .
1295(33) . . .
1271(33) . . .
1299(33) . . .
1306(33) . . .
1328(34) . . .
1371(34) . . .
1310(33) . . .
1357(34) . . .
1377(34) . . .
1348(34) . . .
1344(34) . . .
1342(34) . . .
1336(34) . . .
1329(34) . . .
1390(34) . . .
1392(34) . . .
1398(34) . . .
1370(34) . . .
1425(35) . . .
1400(34) . . .
1422(35) . . .
1396(34) . . .
1421(35) . . .
1388(34) . . .
1392(34) . . .
1411(35) . . .
1437(35) . . .
1447(35) . . .
1437(35) . . .
1455(35) . . .
1458(35) . . .
1407(34) . . .
1447(35) . . .
1473(35) . . .
1495(35) . . .
1446(35) . . .
1420(35) . . .
1426(35) . . .
1449(35) . . .
1488(35) . . .
1456(35) . . .
1498(36) . . .
1502(36) . . .
1490(35) . . .
1532(36) . . .
1524(36) . . .
1523(36) . . .
1520(36) . . .
1484(35) . . .
1506(36) . . .
1515(36) . . .
1516(36) . . .
1549(36) . . .
1536(36) . . .
1509(36) . . .
1511(36) . . .
1507(36) . . .
1553(36) . . .
1526(36) . . .
1547(36) . . .
1548(36) . . .
1595(37) . . .
1554(36) . . .
1531(36) . . .
1599(37) . . .
1550(36) . . .
1583(36) . . .
1573(36) . . .
1578(36) . . .
1638(37) . . .
1552(36) . . .
1567(36) . . .
1641(37) . . .
1620(37) . . .
1605(37) . . .
1607(37) . . .
1623(37) . . .
1592(37) . . .
1629(37) . . .
1592(37) . . .
1600(53) . . .
1694(54) . . .
1696(54) . . .
1708(54) . . .
1724(55) . . .
1638(53) . . .
1630(53) . . .
1584(53) . . .
1582(52) . . .
1654(54) . . .
1755(55) . . .
1650(53) . . .
1650(54) . . .
1604(53) . . .
1666(54) . . .
1738(55) . . .
1650(53) . . .
1676(54) . . .
1750(55) . . .
1638(53) . . .
1686(54) . . .
1724(55) . . .
1724(55) . . .
1725(55) . . .
1688(54) . . .
1709(54) . . .
1638(53) . . .
1725(55) . . .
1593(53) . . .
1744(55) . . .
1713(54) . . .
1727(55) . . .
1654(54) . . .
1665(54) . . .
1691(54) . . .
1710(54) . . .
1742(55) . . .
1777(55) . . .
1759(55) . . .
1763(55) . . .
1780(55) . . .
1813(56) . . .
1727(55) . . .
1689(54) . . .
1675(54) . . .
1823(56) . . .
1744(55) . . .
1829(56) . . .
1737(55) . . .
1737(55) . . .
1741(55) . . .
1833(56) . . .
1751(55) . . .
1844(56) . . .
1757(55) . . .
1824(56) . . .
1776(55) . . .
1844(56) . . .
1779(55) . . .
1930(57) . . .
1719(54) . . .
1771(55) . . .
1800(56) . . .
1858(56) . . .
1817(56) . . .
1803(56) . . .
1833(56) . . .
1751(55) . . .
1818(56) . . .
1931(57) . . .
1867(57) . . .
1921(57) . . .
1914(57) . . .
1823(56) . . .
1811(56) . . .
1898(57) . . .
1900(57) . . .
1896(57) . . .
1799(56) . . .
1840(56) . . .
1845(56) . . .
1859(56) . . .
1874(57) . . .
1854(56) . . .
1938(58) . . .
1937(58) . . .
2008(59) . . .
2049(59) . . .
1858(56) . . .
1852(56) . . .
1830(56) . . .
1877(57) . . .
1916(57) . . .
1930(57) . . .
1900(57) . . .
1923(57) . . .
1929(57) . . .
1968(58) . . .
1852(56) . . .
1969(58) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             677
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -5
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.076
_reflns_d_resolution_low         12.937
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1002999'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_FE_publ

_pd_block_id                     2012-06-19T16:52|FE||BT1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2012-06-19T16:52
_audit_update_record             
; 2012-06-19T16:52  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     37
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_number_restraints     0
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            green

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   'Fe-MOF74 Bare'
_cell_length_a                   26.0983(4)
_cell_length_b                   26.0983
_cell_length_c                   6.85119(14)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4041.30(11)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Fe Fe 0.38239(22) 0.35214(23) 0.1430(6) 1.0 Uiso 0.0123(15) 18
O O1 0.32715(30) 0.29377(35) 0.3630(11) 1.0 Uiso 0.0027(25) 18
O O2 0.3010(4) 0.2272(4) 0.5994(14) 1.0 Uiso 0.0236(26) 18
O O3 0.35508(35) 0.27319(34) 0.0074(12) 1.0 Uiso 0.0086(22) 18
C C1 0.3161(4) 0.2440(4) 0.4207(11) 1.0 Uiso 0.0223(20) 18
C C2 0.32591(34) 0.20380(31) 0.2865(10) 1.0 Uiso 0.0017(21) 18
C C3 0.34304(32) 0.2226(4) 0.0954(10) 1.0 Uiso 0.0115(19) 18
C C4 0.34869(33) 0.1819(4) -0.0339(10) 1.0 Uiso 0.0033(17) 18
H H 0.3613(6) 0.1919(6) -0.1683(22) 1.0 Uiso 0.01337 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4 H Fe O3'
_chemical_formula_weight         152.90
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe O1 2.115(8) . 1_555 N
Fe O1 2.152(9) . 103_554 N
Fe O2 2.054(10) . 202_554 N
Fe O3 2.037(9) . 1_555 N
Fe O3 2.038(9) . 202_555 N
O1 Fe 2.115(8) . 1_555 N
O1 Fe 2.152(9) . 202_555 N
O1 C1 1.245(10) . 1_555 N
O2 Fe 2.054(10) . 103_555 N
O2 C1 1.294(10) . 1_555 N
O3 Fe 2.037(9) . 1_555 N
O3 Fe 2.038(9) . 103_554 N
O3 C3 1.339(11) . 1_555 N
C1 O1 1.245(10) . 1_555 N
C1 O2 1.294(10) . 1_555 N
C1 C2 1.511(11) . 1_555 N
C2 C1 1.511(11) . 1_555 N
C2 C3 1.391(8) . 1_555 N
C3 O3 1.339(11) . 1_555 N
C3 C2 1.391(8) . 1_555 N
C3 C4 1.446(10) . 1_555 N
C4 C3 1.446(10) . 1_555 N
C4 H 0.969(16) . 1_555 N
H C4 0.969(16) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Fe O1 82.98(20) 1_555 . 103_554 N
O1 Fe O2 176.7(5) 1_555 . 202_554 N
O1 Fe O3 80.13(35) 1_555 . 1_555 N
O1 Fe O3 83.03(32) 1_555 . 202_555 N
O1 Fe O2 100.0(4) 103_554 . 202_554 N
O1 Fe O3 82.14(33) 103_554 . 1_555 N
O1 Fe O3 95.22(34) 103_554 . 202_555 N
O2 Fe O3 98.8(4) 202_554 . 1_555 N
O2 Fe O3 98.1(4) 202_554 . 202_555 N
O3 Fe O3 163.2(4) 1_555 . 202_555 N
Fe O1 Fe 89.14(30) 1_555 . 202_555 N
Fe O1 C1 134.2(7) 1_555 . 1_555 N
Fe O1 C1 135.6(7) 202_555 . 1_555 N
Fe O2 C1 121.5(7) 103_555 . 1_555 N
Fe O3 Fe 94.6(4) 1_555 . 103_554 N
Fe O3 C3 125.7(6) 1_555 . 1_555 N
Fe O3 C3 126.5(6) 103_554 . 1_555 N
O1 C1 O2 121.9(8) 1_555 . 1_555 N
O1 C1 C2 120.0(7) 1_555 . 1_555 N
O2 C1 C2 117.8(7) 1_555 . 1_555 N
C1 C2 C3 117.7(7) 1_555 . 1_555 N
O3 C3 C2 130.3(8) 1_555 . 1_555 N
O3 C3 C4 112.9(7) 1_555 . 1_555 N
C2 C3 C4 116.8(7) 1_555 . 1_555 N
C3 C4 H 121.9(11) 1_555 . 1_555 N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT602_FE_publ             
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: The material is very porous and evacuated.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.440605
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  echidna
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Fe 18.0 0.9450 International_Tables_Vol_C
O 54.0 0.5803 International_Tables_Vol_C
C 72.0 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0282
_pd_proc_ls_prof_wR_factor       0.0359
_pd_proc_ls_prof_wR_expected     0.0215
_refine_ls_R_Fsqd_factor         0.06190

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    787.612     2:   -267.633     3:    64.1077     4:   -59.3625    
      5:    59.9648     6:   -37.9904     7:    13.5572     8:   -4.51053    
      9:   -2.14636    10:    7.12856    11:   0.928279    12:    2.21298    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   82.683 #2(GV)   =  -62.025 #3(GW)   =  258.069
 #4(GP)   =    0.000 #5(LX)   =    5.559 #6(LY)   =    4.774
 #7(S/L)  =   0.0317 #8(H/L)  =   0.0610
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.62 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0025 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00250
_pd_proc_info_datetime           2012-06-19T16:52:05
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        2.7503
_pd_meas_2theta_range_max        163.9503
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        2.5117
_pd_proc_2theta_range_max        163.7117
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
0.0(10) 0.0 1415.92 .
0.0(10) 0.0 1414.58 .
0.0(10) 0.0 1413.22 .
0.0(10) 0.0 1411.85 .
0.0(10) 0.0 1410.47 .
0.0(10) 0.0 1409.08 .
0.0(10) 0.0 1407.67 .
0.0(10) 0.0 1406.26 .
0.0(10) 0.0 1404.83 .
0.0(10) 0.0 1403.39 .
0.0(10) 0.0 1401.94 .
0.0(10) 0.0 1400.48 .
0.0(10) 0.0 1399.00 .
0.0(10) 0.0 1397.52 .
0.0(10) 0.0 1396.02 .
0.0(10) 0.0 1394.52 .
0.0(10) 0.0 1393.00 .
0.0(10) 0.0 1391.48 .
0.0(10) 0.0 1389.94 .
0.0(10) 0.0 1388.40 .
0.0(10) 0.0 1386.85 .
0.0(10) 0.0 1385.28 .
0.0(10) 0.0 1383.71 .
0.0(10) 0.0 1382.13 .
0.01(5) 0.0 1380.540 .
21.6(29) 0.0 1378.94 .
15.9(25) 0.0 1377.34 .
18.0(26) 0.0 1375.72 .
17.5(26) 0.0 1374.10 .
16.3(25) 0.0 1372.47 .
20.2(28) 0.0 1370.83 .
25.8(32) 0.0 1369.18 .
30.9(35) 0.0 1367.53 .
34(4) 0.0 1365.9 .
41(4) 0.0 1364.2 .
43(4) 0.0 1362.5 .
50(4) 0.0 1360.8 .
50(4) 0.0 1359.2 .
79(6) 0.0 1357.5 .
91(6) 0.0 1355.8 .
101(6) 0.0 1354.1 .
113(7) 0.0 1352.3 .
121(7) 0.0 1350.6 .
141(7) 0.0 1348.9 .
156(8) 0.0 1347.2 .
187(9) 0.0 1345.4 .
215(9) 0.0 1343.7 .
256(10) 0.0 1342.0 .
312(11) 0.0 1340.2 .
340(12) 0.0 1338.4 .
803(20) 0.0 1336.7 .
923(21) 0.0 1334.9 .
982(22) 0.0 1333.2 .
1066(23) 0.0 1331.4 .
1142(23) 0.0 1329.6 .
1230(24) 0.0 1327.8 .
1209(24) 0.0 1326.0 .
1320(25) 0.0 1324.2 .
1218(24) 0.0 1322.5 .
1274(25) 0.0 1320.7 .
1278(25) 0.0 1318.9 .
1254(25) 0.0 1317.1 .
1233(24) 0.0 1315.2 .
1232(24) 0.0 1313.4 .
1247(24) 0.0 1311.6 .
1216(24) 0.0 1309.8 .
1258(24) 0.0 1308.0 .
1258(24) 0.0 1306.2 .
1211(24) 0.0 1304.4 .
1241(24) 0.0 1302.5 .
1220(24) 0.0 1300.7 .
1233(24) 0.0 1298.9 .
1202(24) 0.0 1297.0 .
1246(24) 0.0 1295.2 .
1249(24) 0.0 1293.4 .
1278(25) 0.0 1291.5 .
1305(26) 0.0 1289.7 .
1257(25) 0.0 1287.9 .
1333(26) 0.0 1286.0 .
1286(26) 0.001534 1284.2 0.0
1234(25) 0.001608 1282.3 0.0
1230(25) 0.001599 1280.5 0.0
1267(25) 0.001570 1278.6 0.0
1228(25) 0.001614 1276.8 0.0
1279(25) 0.001540 1275.0 0.0
1234(25) 0.001599 1273.1 0.0
1276(25) 0.001549 1271.3 0.0
1265(25) 0.001565 1269.4 0.0
1271(25) 0.001551 1267.6 0.0
1224(25) 0.001618 1265.7 0.0
1216(25) 0.001629 1263.9 0.0
1234(25) 0.001613 1262.0 0.0
1251(25) 0.001590 1260.2 0.0
1244(25) 0.001591 1258.3 0.0
1209(25) 0.001634 1256.5 0.0
1209(25) 0.001638 1254.6 0.0
1265(25) 0.001571 1252.8 0.0
1201(25) 0.001644 1250.9 0.0
1213(25) 0.001631 1249.1 0.0
1199(25) 0.001650 1247.2 0.0
1209(24) 0.001754 1245.4 0.0
1241(24) 0.001708 1243.5 0.0
1194(24) 0.001770 1241.7 0.0
1207(24) 0.001761 1239.8 0.0
1260(24) 0.001678 1238.0 0.0
1231(24) 0.001729 1236.2 0.0
1209(24) 0.001752 1234.3 0.0
1193(24) 0.001791 1232.5 0.0
1182(24) 0.001797 1230.6 0.0
1247(24) 0.001695 1228.8 0.0
1190(24) 0.001788 1227.0 0.0
1292(25) 0.001642 1225.1 0.0
1223(24) 0.001739 1223.3 0.0
1237(24) 0.001715 1221.5 0.0
1224(24) 0.001738 1219.6 0.0
1225(24) 0.001735 1217.8 0.0
1236(24) 0.001730 1216.0 0.0
1276(24) 0.001674 1214.2 0.0
1285(25) 0.001651 1212.4 0.0
1266(24) 0.001676 1210.5 0.0
1293(25) 0.001644 1208.7 0.0
1285(25) 0.001661 1206.9 0.0
1269(24) 0.001677 1205.1 0.0
1249(24) 0.001702 1203.3 0.0
1250(24) 0.001703 1201.5 0.0
1311(25) 0.001551 1199.7 0.0
1327(26) 0.001531 1197.9 0.0
1321(26) 0.001531 1196.1 0.0
1343(26) 0.001513 1194.3 0.0
1353(26) 0.001495 1192.5 0.0
1383(26) 0.001471 1190.7 0.0
1419(26) 0.001427 1188.9 0.0
1453(27) 0.001404 1187.1 0.0
1496(27) 0.001354 1185.3 0.0
1580(28) 0.001274 1183.5 0.0
1531(27) 0.001325 1181.8 0.0
1647(29) 0.001227 1180.0 0.0
1711(29) 0.001181 1178.2 0.0
1789(30) 0.001126 1176.4 0.0
1835(30) 0.001099 1174.7 0.0
2009(32) 0.001001 1172.9 0.0
2131(32) 0.000948 1171.2 0.0
2256(33) 0.000893 1169.4 0.0
2500(35) 0.000799 1168. 0.
2663(37) 0.000746 1166. 0.
2946(39) 0.000674 1164. 0.
3307(41) 0.000600 1162. 0.
3608(43) 0.000545 1161. 0.
3908(45) 0.000502 1159. 0.
4317(47) 0.000453 1157. 0.
4734(54) 0.0003389 1155. 0.
5372(58) 0.0002963 1154. 0.
6081(62) 0.0002586 1152. 0.
6819(66) 0.0002283 1150. 0.
7723(71) 0.0001977 1149. 0.
8955(77) 0.0001683 1147. 0.
10438(84) 0.0001404 1145. 0.
12080(91) 0.0001197 1144. 0.
13606(99) 0.0001029 1142. 0.
15230(110) 0.0000895 1140. 0.
16370(110) 0.0000823 1138. 0.
16710(110) 0.0000801 1137. 0.
16930(110) 0.0000790 1135. 0.
16320(110) 0.0000825 1133. 0.
15350(110) 0.0000890 1132. 0.
13890(100) 0.0001006 1130. 0.
12054(91) 0.0001200 1128. 0.
9524(79) 0.0001583 1127. 0.
6926(67) 0.0002256 1125. 0.
4729(54) 0.0003419 1123. 0.
3278(44) 0.000507 1122. 0.
2248(36) 0.000756 1120. 0.
1801(32) 0.000950 1118.5 0.0
1633(31) 0.001054 1116.9 0.0
1545(30) 0.001121 1115.3 0.0
1407(29) 0.001228 1113.6 0.0
1368(28) 0.001268 1112.0 0.0
1330(28) 0.001298 1110.4 0.0
1278(27) 0.001355 1108.8 0.0
1282(27) 0.001343 1107.2 0.0
1228(27) 0.001417 1105.6 0.0
1184(26) 0.001472 1104.0 0.0
1188(26) 0.001483 1102.4 0.0
1229(27) 0.001414 1100.8 0.0
1247(27) 0.001390 1099.3 0.0
1166(26) 0.001493 1097.7 0.0
1189(26) 0.001463 1096.1 0.0
1176(26) 0.001483 1094.6 0.0
1208(26) 0.001437 1093.0 0.0
1212(26) 0.001436 1091.4 0.0
1112(25) 0.001573 1089.9 0.0
1116(25) 0.001576 1088.4 0.0
1118(25) 0.001581 1086.8 0.0
1080(25) 0.001625 1085.3 0.0
1096(25) 0.001594 1083.8 0.0
1065(25) 0.001646 1082.2 0.0
1121(25) 0.001562 1080.7 0.0
1080(25) 0.001626 1079.2 0.0
1123(25) 0.001557 1077.7 0.0
1069(25) 0.001647 1076.2 0.0
1086(24) 0.001802 1074.7 0.0
1085(24) 0.001802 1073.2 0.0
1074(23) 0.001814 1071.7 0.0
1079(23) 0.001819 1070.2 0.0
1114(24) 0.001751 1068.7 0.0
1049(23) 0.001872 1067.3 0.0
1073(23) 0.001822 1065.8 0.0
1047(23) 0.001884 1064.3 0.0
1047(23) 0.001874 1062.9 0.0
1055(23) 0.001852 1061.4 0.0
1037(23) 0.001894 1060.0 0.0
1042(23) 0.001882 1058.6 0.0
1043(23) 0.001879 1057.1 0.0
1045(23) 0.001877 1055.7 0.0
1050(23) 0.001868 1054.3 0.0
1057(23) 0.001858 1052.8 0.0
1089(24) 0.001809 1051.4 0.0
1034(23) 0.001909 1050.0 0.0
1048(23) 0.001871 1048.6 0.0
1015(23) 0.001927 1047.2 0.0
1030(23) 0.001907 1045.8 0.0
1026(23) 0.001922 1044.4 0.0
1073(23) 0.001828 1043.1 0.0
1006(23) 0.001954 1041.7 0.0
1054(23) 0.001869 1040.3 0.0
1039(23) 0.001876 1039.0 0.0
1016(23) 0.001922 1037.6 0.0
1077(24) 0.001803 1036.2 0.0
1028(23) 0.001904 1034.9 0.0
1022(23) 0.001905 1033.6 0.0
1052(23) 0.001860 1032.2 0.0
1073(23) 0.001817 1030.9 0.0
1015(23) 0.001937 1029.6 0.0
1030(23) 0.001899 1028.2 0.0
1076(24) 0.001808 1026.9 0.0
1011(23) 0.001936 1025.6 0.0
999(23) 0.001958 1024.3 0.0
1003(23) 0.001953 1023.0 0.0
1035(23) 0.001884 1021.7 0.0
1000(23) 0.001954 1020.4 0.0
980(22) 0.001997 1019.2 0.0
969(22) 0.002035 1017.9 0.0
998(23) 0.001970 1016.6 0.0
1026(23) 0.001904 1015.3 0.0
1015(23) 0.001919 1014.1 0.0
959(22) 0.002047 1012.8 0.0
1002(23) 0.001960 1011.6 0.0
998(23) 0.001963 1010.3 0.0
1002(23) 0.001956 1009.1 0.0
977(22) 0.002015 1007.9 0.0
1015(23) 0.001887 1006.6 0.0
1013(23) 0.001899 1005.4 0.0
1010(23) 0.001897 1004.2 0.0
1007(23) 0.001914 1003.0 0.0
997(23) 0.001924 1001.8 0.0
982(23) 0.001967 1000.6 0.0
992(23) 0.001937 999.4 0.0
996(23) 0.001949 998.2 0.0
1002(23) 0.001922 997.0 0.0
955(22) 0.002009 995.9 0.0
967(22) 0.001993 994.7 0.0
1007(23) 0.001915 993.5 0.0
961(22) 0.002005 992.4 0.0
1003(23) 0.001919 991.2 0.0
989(23) 0.001951 990.1 0.0
990(23) 0.001949 988.9 0.0
979(22) 0.001982 987.8 0.0
974(22) 0.001986 986.7 0.0
1014(23) 0.001894 985.5 0.0
999(23) 0.001922 984.4 0.0
975(22) 0.001981 983.3 0.0
991(23) 0.001953 982.2 0.0
988(23) 0.001949 981.1 0.0
1044(23) 0.001845 980.0 0.0
974(22) 0.001988 978.9 0.0
989(23) 0.001894 977.8 0.0
979(23) 0.001912 976.7 0.0
950(23) 0.001967 975.6 0.0
941(22) 0.002002 974.6 0.0
984(23) 0.001894 973.5 0.0
972(23) 0.001937 972.4 0.0
933(22) 0.002009 971.4 0.0
963(23) 0.001970 970.3 0.0
982(23) 0.001914 969.3 0.0
1012(23) 0.001847 968.3 0.0
973(23) 0.001936 967.2 0.0
1006(23) 0.001868 966.2 0.0
999(23) 0.001882 965.2 0.0
938(22) 0.002002 964.2 0.0
956(23) 0.001968 963.1 0.0
963(23) 0.001949 962.1 0.0
961(23) 0.001968 961.1 0.0
992(23) 0.001900 960.1 0.0
961(23) 0.001960 959.2 0.0
973(23) 0.001925 958.2 0.0
982(23) 0.001920 957.2 0.0
986(23) 0.001914 956.2 0.0
981(23) 0.001915 955.2 0.0
987(23) 0.001905 954.3 0.0
978(23) 0.001929 953.3 0.0
1030(23) 0.001895 952.4 0.0
1024(23) 0.001902 951.4 0.0
1015(23) 0.001917 950.5 0.0
1051(23) 0.001858 949.5 0.0
1123(24) 0.001727 948.6 0.0
1096(24) 0.001783 947.7 0.0
1163(24) 0.001670 946.8 0.0
1181(25) 0.001658 945.8 0.0
1274(26) 0.001527 944.9 0.0
1353(26) 0.001425 944.0 0.0
1474(28) 0.001314 943.1 0.0
1617(29) 0.001192 942.2 0.0
1788(31) 0.001075 941.3 0.0
1973(32) 0.000967 940.5 0.0
2353(35) 0.000807 940. 0.
2790(38) 0.000676 939. 0.
3150(41) 0.000599 938. 0.
3717(45) 0.000502 937. 0.
4177(48) 0.000441 936. 0.
4679(51) 0.000389 935. 0.
4859(52) 0.000375 934. 0.
4978(52) 0.000368 934. 0.
4881(52) 0.000373 933. 0.
4639(50) 0.000394 932. 0.
4253(48) 0.000433 931. 0.
3813(45) 0.000486 930. 0.
3139(41) 0.000598 929. 0.
2442(36) 0.000775 929. 0.
1874(31) 0.001028 927.8 0.0
1472(28) 0.001317 927.0 0.0
1242(25) 0.001576 926.2 0.0
1159(24) 0.001684 925.4 0.0
1050(23) 0.001877 924.6 0.0
1079(23) 0.001822 923.8 0.0
1035(23) 0.001890 923.1 0.0
1047(23) 0.001877 922.3 0.0
1018(23) 0.001934 921.5 0.0
1020(23) 0.001925 920.7 0.0
952(22) 0.002070 920.0 0.0
956(22) 0.002062 919.2 0.0
931(22) 0.002116 918.5 0.0
935(22) 0.002120 917.7 0.0
944(22) 0.002102 917.0 0.0
891(21) 0.002215 916.3 0.0
907(22) 0.002163 915.5 0.0
914(22) 0.002161 914.8 0.0
944(22) 0.002093 914.1 0.0
925(22) 0.002130 913.4 0.0
928(22) 0.002126 912.6 0.0
951(22) 0.002085 911.9 0.0
964(23) 0.001917 911.2 0.0
927(22) 0.001989 910.5 0.0
915(22) 0.002013 909.8 0.0
918(22) 0.002024 909.2 0.0
936(23) 0.001967 908.5 0.0
951(23) 0.001948 907.8 0.0
911(22) 0.002025 907.1 0.0
909(22) 0.002051 906.4 0.0
933(22) 0.001984 905.8 0.0
944(23) 0.001954 905.1 0.0
926(22) 0.002000 904.5 0.0
918(22) 0.002011 903.8 0.0
925(22) 0.002007 903.2 0.0
909(22) 0.002036 902.5 0.0
925(22) 0.002004 901.9 0.0
926(22) 0.002000 901.2 0.0
936(22) 0.001984 900.6 0.0
962(23) 0.001929 900.0 0.0
1018(24) 0.001808 899.4 0.0
1001(23) 0.001842 898.7 0.0
1075(24) 0.001715 898.1 0.0
1123(25) 0.001644 897.5 0.0
1157(25) 0.001591 896.9 0.0
1261(26) 0.001456 896.3 0.0
1288(26) 0.001428 895.7 0.0
1483(28) 0.001240 895.1 0.0
1573(29) 0.001162 894.5 0.0
1645(30) 0.001107 894.0 0.0
1686(30) 0.001086 893.4 0.0
1710(31) 0.001066 892.8 0.0
1611(30) 0.001142 892.2 0.0
1604(30) 0.001142 891.7 0.0
1523(29) 0.001212 891.1 0.0
1444(28) 0.001272 890.5 0.0
1267(26) 0.001450 890.0 0.0
1140(25) 0.001623 889.4 0.0
1074(24) 0.001723 888.9 0.0
957(23) 0.001942 888.3 0.0
933(22) 0.001995 887.8 0.0
951(23) 0.001953 887.3 0.0
901(22) 0.002066 886.7 0.0
877(22) 0.002131 886.2 0.0
883(22) 0.002112 885.7 0.0
880(22) 0.002112 885.2 0.0
909(22) 0.002046 884.7 0.0
920(22) 0.002027 884.2 0.0
926(22) 0.002015 883.7 0.0
885(22) 0.002106 883.2 0.0
871(22) 0.002143 882.7 0.0
954(23) 0.001956 882.2 0.0
884(22) 0.002145 881.7 0.0
844(21) 0.002253 881.2 0.0
891(22) 0.002122 880.7 0.0
902(22) 0.002108 880.2 0.0
900(22) 0.002098 879.7 0.0
882(22) 0.002161 879.3 0.0
868(21) 0.002188 878.8 0.0
892(22) 0.002145 878.3 0.0
923(22) 0.002057 877.9 0.0
913(22) 0.002070 877.4 0.0
885(22) 0.002149 877.0 0.0
900(22) 0.002110 876.5 0.0
925(22) 0.002051 876.1 0.0
903(22) 0.002102 875.6 0.0
903(22) 0.002108 875.2 0.0
912(22) 0.002085 874.8 0.0
941(22) 0.002031 874.3 0.0
972(23) 0.001961 873.9 0.0
989(23) 0.001917 873.5 0.0
1027(23) 0.001836 873.1 0.0
1104(24) 0.001719 872.6 0.0
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1265(26) 0.001491 871.8 0.0
1368(27) 0.001379 871.4 0.0
1463(28) 0.001288 871.0 0.0
1674(32) 0.001007 870.6 0.0
1854(33) 0.000902 870.2 0.0
1959(34) 0.000850 869.8 0.0
2041(35) 0.000819 869.4 0.0
2010(35) 0.000829 869.1 0.0
2065(35) 0.000811 869. 0.
1985(35) 0.000839 868.3 0.0
1880(33) 0.000899 867.9 0.0
1642(31) 0.001025 867.5 0.0
1543(30) 0.001090 867.2 0.0
1257(27) 0.001353 866.8 0.0
1097(25) 0.001559 866.4 0.0
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924(23) 0.001852 865.0 0.0
914(23) 0.001887 864.7 0.0
890(23) 0.001936 864.3 0.0
925(23) 0.001847 864.0 0.0
888(23) 0.001920 863.7 0.0
926(23) 0.001847 863.3 0.0
901(23) 0.001897 863.0 0.0
900(23) 0.001902 862.7 0.0
898(23) 0.001910 862.3 0.0
876(23) 0.001954 862.0 0.0
861(22) 0.002100 861.7 0.0
851(22) 0.002131 861.4 0.0
865(22) 0.002083 861.1 0.0
875(22) 0.002062 860.8 0.0
897(22) 0.002007 860.4 0.0
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871(22) 0.002077 859.8 0.0
850(22) 0.002163 859.5 0.0
867(22) 0.002085 859.2 0.0
906(22) 0.001997 859.0 0.0
876(22) 0.002062 858.7 0.0
889(22) 0.002040 858.4 0.0
887(22) 0.002046 858.1 0.0
872(22) 0.002079 857.8 0.0
878(22) 0.002074 857.5 0.0
895(22) 0.002046 857.3 0.0
897(22) 0.002022 857.0 0.0
899(22) 0.002016 856.7 0.0
941(23) 0.001915 856.4 0.0
970(23) 0.001871 856.2 0.0
1033(24) 0.001755 855.9 0.0
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1229(26) 0.001458 855.4 0.0
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1309(35) 0.000808 855. 0.
1356(23) 0.001856 854.4 0.0
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1011(20) 0.002523 853.0 0.0
951(19) 0.002674 852.8 0.0
933(19) 0.002738 852.5 0.0
885(19) 0.002878 852.3 0.0
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886(19) 0.002881 851.9 0.0
879(19) 0.002900 851.6 0.0
864(18) 0.002957 851.4 0.0
856(18) 0.002983 851.2 0.0
869(18) 0.002950 851.0 0.0
845(18) 0.003039 850.8 0.0
846(18) 0.003012 850.6 0.0
883(19) 0.002881 850.4 0.0
901(19) 0.002835 850.2 0.0
880(19) 0.002912 850.0 0.0
859(18) 0.002970 849.8 0.0
837(18) 0.003063 849.6 0.0
850(19) 0.002900 849.4 0.0
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882(20) 0.002505 849.0 0.0
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877(20) 0.002546 848.7 0.0
906(20) 0.002448 848.5 0.0
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957(21) 0.002320 848.0 0.0
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971(21) 0.002285 847.6 0.0
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1000(21) 0.002210 847.3 0.0
1056(22) 0.002083 847.1 0.0
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1778(29) 0.001217 846.4 0.0
1979(30) 0.001085 846.2 0.0
2094(31) 0.001018 846.1 0.0
2322(33) 0.000923 845.9 0.0
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1942(26) 0.001500 845.2 0.0
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986(24) 0.001808 844.5 0.0
928(23) 0.001912 844.4 0.0
918(23) 0.001960 844.3 0.0
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914(23) 0.001932 844.0 0.0
913(23) 0.001944 843.9 0.0
906(23) 0.001956 843.8 0.0
871(22) 0.002036 843.7 0.0
878(22) 0.002022 843.6 0.0
859(22) 0.002072 843.5 0.0
905(23) 0.001961 843.4 0.0
959(23) 0.001855 843.2 0.0
845(22) 0.002118 843.1 0.0
886(22) 0.002005 843.0 0.0
861(22) 0.002057 842.9 0.0
864(22) 0.002064 842.8 0.0
887(22) 0.002005 842.7 0.0
850(22) 0.002087 842.6 0.0
913(23) 0.001944 842.5 0.0
885(22) 0.002004 842.4 0.0
876(20) 0.002398 842.3 0.0
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910(21) 0.002311 842.1 0.0
923(21) 0.002285 842.1 0.0
930(21) 0.002263 842.0 0.0
978(22) 0.002159 841.9 0.0
1070(23) 0.001961 841.8 0.0
1057(22) 0.002004 841.7 0.0
1174(24) 0.001789 841.6 0.0
1137(23) 0.001844 841.5 0.0
1166(24) 0.001811 841.5 0.0
1171(24) 0.001785 841.4 0.0
1193(24) 0.001764 841.3 0.0
1135(23) 0.001852 841.2 0.0
1134(23) 0.001848 841.2 0.0
1038(22) 0.002024 841.1 0.0
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880(20) 0.002408 840.9 0.0
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845(20) 0.002500 840.7 0.0
841(20) 0.002525 840.7 0.0
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850(20) 0.002493 840.5 0.0
858(20) 0.002585 840.4 0.0
839(19) 0.002635 840.4 0.0
842(20) 0.002622 840.3 0.0
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866(20) 0.002551 840.2 0.0
794(19) 0.002799 840.1 0.0
814(19) 0.002713 840.1 0.0
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930(21) 0.002370 839.7 0.0
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1135(23) 0.001944 839.5 0.0
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1399(25) 0.001571 839.4 0.0
1508(26) 0.001458 839.4 0.0
1604(27) 0.001364 839.4 0.0
1642(27) 0.001331 839.3 0.0
1752(28) 0.001252 839.3 0.0
1755(27) 0.001332 839.3 0.0
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1316(24) 0.001791 839.1 0.0
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873(20) 0.002495 840.3 0.0
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1327(24) 0.001806 840.8 0.0
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838(18) 0.003163 827.5 0.0
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1011(24) 0.001768 821.8 0.0
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619(15) . . .
624(15) . . .
615(15) . . .
623(15) . . .
651(15) . . .
653(15) . . .
648(15) . . .
648(15) . . .
629(15) . . .
636(15) . . .
667(16) . . .
668(16) . . .
653(15) . . .
663(16) . . .
678(16) . . .
665(15) . . .
673(16) . . .
674(16) . . .
681(16) . . .
698(16) . . .
702(16) . . .
704(16) . . .
695(16) . . .
711(16) . . .
735(16) . . .
729(16) . . .
733(16) . . .
731(16) . . .
742(17) . . .
771(17) . . .
780(17) . . .
779(17) . . .
781(17) . . .
788(17) . . .
810(17) . . .
832(17) . . .
837(19) . . .
809(19) . . .
828(19) . . .
820(19) . . .
825(19) . . .
847(19) . . .
879(19) . . .
843(19) . . .
858(19) . . .
876(19) . . .
868(19) . . .
851(19) . . .
877(19) . . .
845(19) . . .
844(19) . . .
834(19) . . .
889(19) . . .
841(19) . . .
828(19) . . .
832(19) . . .
864(19) . . .
830(19) . . .
820(19) . . .
808(18) . . .
850(19) . . .
837(19) . . .
804(19) . . .
801(19) . . .
794(18) . . .
780(18) . . .
789(18) . . .
800(19) . . .
780(18) . . .
801(19) . . .
798(19) . . .
784(18) . . .
771(18) . . .
781(18) . . .
807(19) . . .
759(18) . . .
770(18) . . .
769(18) . . .
811(19) . . .
800(19) . . .
793(18) . . .
804(19) . . .
842(19) . . .
822(19) . . .
812(19) . . .
855(19) . . .
837(28) . . .
873(29) . . .
892(29) . . .
864(28) . . .
926(30) . . .
913(29) . . .
859(29) . . .
922(29) . . .
911(29) . . .
898(29) . . .
919(29) . . .
899(29) . . .
977(30) . . .
922(30) . . .
961(30) . . .
958(30) . . .
936(30) . . .
978(30) . . .
937(30) . . .
945(30) . . .
923(29) . . .
922(29) . . .
937(30) . . .
1000(31) . . .
0.0(10) . . .
_pd_meas_number_of_points        3225
_pd_proc_number_of_points        3225
_reflns_number_observed          0
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003000'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_BARE_MN_publ

_pd_block_id                     2013-12-02T13:03|BARE_MN||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2013-12-02T13:03
_audit_update_record             
; 2013-12-02T13:03  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.05
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     34
_refine_ls_goodness_of_fit_all   0.95
_refine_ls_number_restraints     13
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            orange

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   26.3331(17)
_cell_length_b                   26.3331
_cell_length_c                   7.0477(5)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4232.3(5)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Mn Mn 0.3854(7) 0.3606(9) 0.1424(28) 1.0 Uiso 0.007(5) 18
O O1 0.3280(6) 0.2935(6) 0.3604(22) 1.0 Uiso 0.0233(23) 18
O O2 0.2999(7) 0.2282(7) 0.5913(19) 1.0 Uiso 0.0233(23) 18
O O3 0.3544(7) 0.2745(7) 0.0142(25) 1.0 Uiso 0.0233(23) 18
C C1 0.3186(5) 0.2441(5) 0.4201(15) 1.0 Uiso 0.0141(10) 18
C C2 0.3289(5) 0.2055(5) 0.2882(15) 1.0 Uiso 0.0141(10) 18
C C3 0.3443(6) 0.2219(5) 0.0886(14) 1.0 Uiso 0.0141(10) 18
C C4 0.3523(5) 0.1841(5) -0.0183(14) 1.0 Uiso 0.0141(10) 18
H H 0.3599(9) 0.1921(8) -0.1565(27) 1.0 Uiso 0.010(6) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4 H Mn O3'
_chemical_formula_weight         151.99
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn O1 2.258(28) . 1_555 N
Mn O1 2.210(24) . 103_554 N
Mn O2 2.010(27) . 202_554 N
Mn O3 2.184(27) . 1_555 N
Mn O3 1.949(30) . 202_555 N
O1 Mn 2.258(28) . 1_555 N
O1 Mn 2.210(24) . 202_555 N
O1 C1 1.268(17) . 1_555 N
O2 Mn 2.010(27) . 103_555 N
O2 C1 1.291(14) . 1_555 N
O3 Mn 2.184(27) . 1_555 N
O3 Mn 1.949(30) . 103_554 N
O3 C3 1.376(18) . 1_555 N
C1 O1 1.268(17) . 1_555 N
C1 O2 1.291(14) . 1_555 N
C1 C2 1.499(17) . 1_555 N
C2 C1 1.499(17) . 1_555 N
C2 C3 1.468(13) . 1_555 N
C3 O3 1.376(18) . 1_555 N
C3 C2 1.468(13) . 1_555 N
C3 C4 1.346(16) . 1_555 N
C4 C3 1.346(16) . 1_555 N
C4 H 0.996(24) . 1_555 N
H C4 0.996(24) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Mn O3 94.5(11) 202_554 . 1_555 N
O2 Mn O3 111.3(11) 202_554 . 202_555 N
O3 Mn O3 154.0(12) 1_555 . 202_555 N
Mn O2 C1 126.6(12) 103_555 . 1_555 N
Mn O3 Mn 98.0(9) 1_555 . 103_554 N
Mn O3 C3 132.1(14) 1_555 . 1_555 N
Mn O3 C3 123.9(14) 103_554 . 1_555 N
O1 C1 O2 119.3(15) 1_555 . 1_555 N
O1 C1 C2 118.7(12) 1_555 . 1_555 N
O2 C1 C2 121.9(12) 1_555 . 1_555 N
C1 C2 C3 120.8(10) 1_555 . 1_555 N
O3 C3 C2 123.2(12) 1_555 . 1_555 N
O3 C3 C4 120.5(11) 1_555 . 1_555 N
C2 C3 C4 116.1(10) 1_555 . 1_555 N
C3 C4 H 118.7(15) 1_555 . 1_555 N

# Powder diffraction data for histogram  4
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT602_BARE_MN_publ        
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: This is expected as the material is porous and it is evacuated.
;
_vrf_PLAT341_BARE_MN_publ        
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0165 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Mn 18.0 -0.3730 International_Tables_Vol_C
O 54.0 0.5803 International_Tables_Vol_C
C 72.0 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0361
_pd_proc_ls_prof_wR_factor       0.0440
_pd_proc_ls_prof_wR_expected     0.0465
_refine_ls_R_Fsqd_factor         0.04952

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    402.050     2:   -73.3849     3:    61.4860     4:    4.10006    
      5:    3.56455     6:  -0.471539     7:    13.9043     8:    3.77056    
      9:    12.1234    10:   -2.51135    11:    2.00782    12:    2.11186    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  553.448 #2(GV)   =   -9.144 #3(GW)   =   98.235
 #4(GP)   =    1.820 #5(LX)   =    4.637 #6(LY)   =   12.252
 #7(S/L)  =   0.0414 #8(H/L)  =   0.0304
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2013-12-02T13:03:49
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5032
_pd_proc_2theta_range_max        166.2532
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
6090(170) 0.0 744. .
5200(150) 0.0 741. .
4650(150) 0.0 739. .
4020(140) 0.0 737. .
3200(120) 0.0 734. .
2920(120) 0.0 732. .
2660(110) 0.0 730. .
2510(110) 0.0 727. .
1940(94) 0.0 725. .
1880(92) 0.0 723. .
1756(89) 0.0 720. .
1595(85) 0.0 718. .
1503(82) 0.0 716. .
1352(78) 0.0 714. .
1292(76) 0.0 711. .
1297(76) 0.0 709. .
1186(73) 0.0 707. .
1094(70) 0.0 705. .
1159(72) 0.0 703. .
1030(68) 0.0 700. .
1007(67) 0.0 698. .
1048(68) 0.0 696. .
1030(68) 0.0 694. .
961(65) 0.0 692. .
993(66) 0.0 690. .
975(66) 0.0 688. .
1104(70) 0.0 686. .
924(64) 0.0 684. .
1058(69) 0.0 682. .
864(62) 0.0 680. .
855(61) 0.0 678. .
864(62) 0.0 676. .
837(61) 0.0 674. .
906(63) 0.0 672. .
740(57) 0.0 670. .
864(62) 0.0 668. .
796(59) 0.0 666. .
828(60) 0.0 664. .
832(61) 0.0 662. .
832(61) 0.0 660. .
897(63) 0.0 658. .
786(59) 0.0 656. .
694(55) 0.0 655. .
773(58) 0.0 653. .
653(53) 0.0 651. .
713(56) 0.0 649. .
713(56) 0.0 647. .
736(57) 0.0 646. .
722(56) 0.0 644. .
823(60) 0.0 642. .
759(58) 0.0 640. .
644(53) 0.0 639. .
602(51) 0.0 637. .
690(55) 0.0 635. .
607(51) 0.0 634. .
690(55) 0.0 632. .
630(52) 0.0 630. .
694(55) 0.0 629. .
699(55) 0.0 627. .
630(52) 0.0 625. .
667(54) 0.0 624. .
786(59) 0.0 622. .
717(56) 0.0 621. .
658(54) 0.0 619. .
644(53) 0.0 618. .
694(55) 0.0 616. .
602(51) 0.0 614. .
607(51) 0.0 613. .
648(53) 0.0 611. .
501(46) 0.0 610. .
635(53) 0.0 608. .
630(52) 0.0 607. .
694(55) 0.0 606. .
667(54) 0.0 604. .
515(47) 0.0 603. .
598(51) 0.0 601. .
736(57) 0.0 600. .
552(49) 0.0 598. .
534(48) 0.0 597. .
685(55) 0.0 596. .
644(53) 0.0 594. .
538(48) 0.0 593. .
584(50) 0.0 592. .
616(52) 0.0 590. .
584(50) 0.0 589. .
529(48) 0.0 588. .
575(50) 0.0 586. .
602(51) 0.0 585. .
529(48) 0.0 584. .
602(51) 0.0 583. .
658(54) 0.0 581. .
662(54) 0.0 580. .
547(49) 0.0 579. .
520(47) 0.0 578. .
524(48) 0.0 576. .
584(50) 0.0 575. .
543(48) 0.0 574. .
602(51) 0.0 573. .
557(49) 0.0 572. .
580(50) 0.0 570. .
694(38) 0.0 569. .
688(38) 0.0 568. .
684(38) 0.0 567. .
648(37) 0.0 566. .
580(34) 0.0 564.8 .
583(35) 0.0 563.7 .
600(35) 0.0 562.6 .
599(35) 0.000816 561.5 568.8
617(36) 0.000772 560. 568.
620(36) 0.000772 559. 567.
581(34) 0.000865 558.3 566.9
501(32) 0.000977 557.3 566.3
577(34) 0.000865 556.3 565.9
550(33) 0.000918 555.2 565.4
568(34) 0.000865 554.2 565.1
565(34) 0.000865 553.2 564.8
553(34) 0.000865 552.2 564.6
533(33) 0.000918 551.3 564.5
563(34) 0.000865 550.3 564.5
570(34) 0.000865 549.3 564.6
532(33) 0.000918 548.4 564.9
550(33) 0.000918 547.4 565.3
574(34) 0.000865 546.5 566.0
604(35) 0.000816 545.5 566.9
554(34) 0.000865 544.6 568.1
530(33) 0.000918 543.7 569.8
597(35) 0.000816 542.8 572.2
573(34) 0.000865 541.9 575.8
641(36) 0.000772 541. 582.
591(35) 0.000816 540.2 592.1
664(37) 0.000730 539. 610.
712(38) 0.000693 538. 638.
850(42) 0.000567 538. 680.
789(41) 0.000595 537. 736.
843(42) 0.000567 536. 807.
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5950(110) 0.0000769 524. 5728.
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4293(97) 0.0001063 522. 4225.
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560(34) 0.000865 517.0 605.9
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532(32) 0.000977 474.5 543.4
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729(35) 0.000816 449.3 730.9
813(37) 0.000730 449. 806.
905(39) 0.000657 449. 860.
942(40) 0.000625 449. 872.
820(37) 0.000730 449. 836.
744(36) 0.000772 448. 766.
632(33) 0.000918 448.3 683.0
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541(30) 0.001111 447.7 509.9
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553(27) 0.001372 418.6 607.1
648(29) 0.001189 418.4 664.0
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730(31) 0.001041 418.1 763.1
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661(29) 0.001189 417.5 715.9
654(29) 0.001189 417.3 659.6
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528(26) 0.001479 416.8 508.7
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476(25) 0.001600 416.2 444.2
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412(23) 0.001890 415.3 423.9
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437(24) 0.001736 406.3 462.5
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412(22) 0.002066 401.4 414.3
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402(21) 0.002268 393.7 411.6
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436(21) 0.002268 378.2 418.9
410(20) 0.002500 378.1 414.9
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362(19) 0.002770 375.4 385.4
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383(19) 0.002770 374.2 383.5
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469(21) 0.002268 373.2 475.2
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403(19) 0.002770 373.0 430.0
399(19) 0.002770 372.9 422.4
398(19) 0.002770 372.8 419.5
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435(20) 0.002500 372.6 431.2
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436(20) 0.002500 372.3 437.9
437(20) 0.002500 372.2 431.4
449(20) 0.002500 372.2 424.2
437(20) 0.002500 372.1 417.3
445(20) 0.002500 372.0 411.3
414(19) 0.002770 372.0 406.3
400(19) 0.002770 371.9 401.9
392(19) 0.002770 371.8 398.0
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364(18) 0.003086 371.4 379.1
357(18) 0.003086 371.3 378.0
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369(18) 0.003086 371.1 376.9
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393(19) 0.002770 371.0 377.6
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383(18) 0.003086 367.8 394.9
396(18) 0.003086 367.7 395.0
395(18) 0.003086 367.6 396.8
379(18) 0.003086 367.5 399.9
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403(18) 0.003086 367.2 409.7
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417(19) 0.002770 366.8 393.5
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377(18) 0.003086 366.6 387.6
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402(18) 0.003086 366.4 391.1
380(18) 0.003086 366.3 393.7
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417(19) 0.002770 365.6 425.2
427(19) 0.002770 365.5 423.5
419(19) 0.002770 365.4 419.6
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392(18) 0.003086 364.1 392.2
388(18) 0.003086 364.0 393.3
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395(18) 0.003086 363.7 409.6
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415(19) 0.002770 363.1 444.9
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432(19) 0.002770 362.9 439.2
438(19) 0.002770 362.8 432.9
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401(18) 0.003086 362.6 417.2
385(18) 0.003086 362.6 409.3
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376(18) 0.003086 362.4 395.2
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370(18) 0.003086 359.7 383.6
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386(18) 0.003086 359.3 399.9
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396(18) 0.003086 332.7 404.6
402(18) 0.003086 332.6 402.0
395(18) 0.003086 332.5 399.8
385(17) 0.003460 332.4 398.1
408(18) 0.003086 332.3 397.0
395(18) 0.003086 332.2 396.4
381(17) 0.003460 332.1 396.5
389(17) 0.003460 332.0 397.4
411(18) 0.003086 331.9 399.0
398(18) 0.003086 331.8 401.6
428(18) 0.003086 331.7 405.1
396(18) 0.003086 331.6 409.6
457(19) 0.002770 331.5 414.8
422(18) 0.003086 331.4 420.4
418(18) 0.003086 331.3 426.0
469(19) 0.002770 331.2 430.8
413(18) 0.003086 331.1 434.3
433(18) 0.003086 331.0 435.8
448(19) 0.002770 330.9 435.0
437(19) 0.002770 330.8 432.3
450(19) 0.002770 330.8 427.8
436(18) 0.003086 330.7 422.3
416(18) 0.003086 330.6 416.1
403(18) 0.003086 330.5 409.6
408(18) 0.003086 330.4 403.0
402(18) 0.003086 330.3 396.5
401(18) 0.003086 330.2 390.0
399(18) 0.003086 330.1 383.7
368(17) 0.003460 330.0 377.7
387(17) 0.003460 329.9 372.3
358(17) 0.003460 329.8 367.3
382(17) 0.003460 329.7 362.9
323(16) 0.00391 329.6 359.0
331(16) 0.00391 329.5 355.6
337(16) 0.00391 329.4 352.6
364(17) 0.003460 329.4 350.0
354(17) 0.003460 329.3 347.7
338(16) 0.00391 329.2 345.9
320(16) 0.00391 329.1 344.4
369(17) 0.003460 329.0 343.3
351(17) 0.003460 328.9 342.6
367(17) 0.003460 328.8 342.2
325(16) 0.00391 328.7 342.2
375(17) 0.003460 328.6 342.6
370(17) 0.003460 328.5 343.1
329(16) 0.00391 328.4 343.9
373(17) 0.003460 328.4 344.7
349(17) 0.003460 328.3 345.5
354(17) 0.003460 328.2 346.1
351(17) 0.003460 328.1 346.5
359(17) 0.003460 328.0 346.6
354(17) 0.003460 327.9 346.3
342(16) 0.00391 327.8 345.6
338(16) 0.00391 327.7 344.6
349(17) 0.003460 327.7 343.4
335(16) 0.00391 327.6 342.2
321(16) 0.00391 327.5 341.0
342(16) 0.00391 327.4 339.9
335(16) 0.00391 327.3 339.0
330(16) 0.00391 327.2 338.3
306(16) 0.00391 327.1 337.8
346(17) 0.003460 327.1 337.5
328(16) 0.00391 327.0 337.3
351(17) 0.003460 326.9 337.2
342(16) 0.00391 326.8 337.1
311(16) 0.00391 326.7 337.0
351(17) 0.003460 326.6 336.8
315(16) 0.00391 326.6 336.5
359(17) 0.003460 326.5 336.2
337(16) 0.00391 326.4 335.9
369(17) 0.003460 326.3 335.6
328(16) 0.00391 326.2 335.5
327(16) 0.00391 326.1 335.4
363(17) 0.003460 326.1 335.4
344(17) 0.003460 326.0 335.6
321(16) 0.00391 325.9 335.9
368(17) 0.003460 325.8 336.3
350(17) 0.003460 325.7 336.8
339(16) 0.00391 325.7 337.4
341(16) 0.00391 325.6 338.0
388(18) 0.003086 325.5 338.8
332(16) 0.00391 325.4 339.5
356(17) 0.003460 325.4 340.3
347(17) 0.003460 325.3 341.2
320(16) 0.00391 325.2 342.3
339(16) 0.00391 325.1 343.4
347(17) 0.003460 325.0 344.7
313(16) 0.00391 325.0 346.1
362(17) 0.003460 324.9 347.6
328(16) 0.00391 324.8 349.0
378(17) 0.003460 324.7 350.2
359(17) 0.003460 324.7 351.3
337(16) 0.00391 324.6 352.1
353(17) 0.003460 324.5 352.6
358(17) 0.003460 324.4 352.8
372(17) 0.003460 324.4 353.0
356(17) 0.003460 324.3 353.2
373(17) 0.003460 324.2 353.5
339(16) 0.00391 324.1 354.1
347(17) 0.003460 324.1 355.2
349(17) 0.003460 324.0 356.9
318(16) 0.00391 323.9 359.3
376(17) 0.003460 323.9 362.4
393(18) 0.003086 323.8 366.2
396(18) 0.003086 323.7 370.5
373(17) 0.003460 323.6 375.1
341(16) 0.00391 323.6 379.6
402(18) 0.003086 323.5 383.7
384(17) 0.003460 323.4 386.9
374(17) 0.003460 323.4 388.9
369(17) 0.003460 323.3 389.4
375(17) 0.003460 323.2 388.3
365(17) 0.003460 323.2 385.5
378(17) 0.003460 323.1 381.4
401(18) 0.003086 323.0 376.3
394(18) 0.003086 323.0 370.6
354(17) 0.003460 322.9 364.8
337(16) 0.00391 322.8 359.0
339(16) 0.00391 322.8 353.7
344(16) 0.00391 322.7 349.0
320(16) 0.00391 322.6 344.9
310(16) 0.00391 322.6 341.6
363(17) 0.003460 322.5 339.2
341(16) 0.00391 322.4 337.4
355(17) 0.003460 322.4 336.5
328(16) 0.00391 322.3 336.1
317(16) 0.00391 322.3 336.5
325(16) 0.00391 322.2 337.4
334(16) 0.00391 322.1 338.8
334(16) 0.00391 322.1 340.6
336(16) 0.00391 322.0 342.7
356(17) 0.003460 321.9 345.1
316(16) 0.00391 321.9 347.5
326(16) 0.00391 321.8 349.8
324(16) 0.00391 321.8 351.8
349(17) 0.003460 321.7 353.4
350(17) 0.003460 321.7 354.4
365(18) 0.003086 321.6 354.7
352(17) 0.003460 321.5 354.5
384(18) 0.003086 321.5 353.8
384(18) 0.003086 321.4 352.8
351(17) 0.003460 321.4 351.9
342(17) 0.003460 321.3 351.2
330(17) 0.003460 321.3 350.9
345(17) 0.003460 321.2 351.2
332(17) 0.003460 321.1 352.2
335(17) 0.003460 321.1 353.9
350(17) 0.003460 321.0 356.3
356(17) 0.003460 321.0 359.3
372(18) 0.003086 320.9 362.7
388(18) 0.003086 320.9 366.5
368(18) 0.003086 320.8 370.2
382(18) 0.003086 320.8 373.8
393(18) 0.003086 320.7 376.9
394(18) 0.003086 320.7 379.6
387(18) 0.003086 320.6 381.6
394(18) 0.003086 320.6 383.2
382(18) 0.003086 320.5 384.2
383(18) 0.003086 320.5 384.8
386(18) 0.003086 320.4 385.0
383(18) 0.003086 320.4 384.8
381(18) 0.003086 320.3 384.2
365(18) 0.003086 320.3 383.1
385(18) 0.003086 320.2 381.6
387(18) 0.003086 320.2 379.8
388(18) 0.003086 320.1 377.5
367(18) 0.003086 320.1 374.8
363(18) 0.003086 320.0 371.6
345(17) 0.003460 320.0 368.2
358(17) 0.003460 319.9 364.5
400(18) 0.003086 319.9 360.8
333(17) 0.003460 319.9 357.3
348(17) 0.003460 319.8 354.1
349(17) 0.003460 319.8 351.3
346(17) 0.003460 319.7 349.2
367(18) 0.003086 319.7 347.9
327(17) 0.003460 319.6 347.4
367(18) 0.003086 319.6 347.9
365(18) 0.003086 319.6 349.4
368(18) 0.003086 319.5 351.9
366(18) 0.003086 319.5 355.4
356(17) 0.003460 319.4 359.8
369(18) 0.003086 319.4 364.9
393(18) 0.003086 319.4 370.7
388(18) 0.003086 319.3 376.7
402(18) 0.003086 319.3 382.6
389(18) 0.003086 319.2 388.2
359(17) 0.003460 319.2 392.8
396(18) 0.003086 319.2 396.2
371(18) 0.003086 319.1 398.1
389(18) 0.003086 319.1 398.4
409(19) 0.002770 319.1 397.1
411(19) 0.002770 319.0 394.4
395(18) 0.003086 319.0 390.6
384(18) 0.003086 319.0 385.8
373(18) 0.003086 318.9 380.4
351(17) 0.003460 318.9 374.6
389(18) 0.003086 318.9 368.6
344(17) 0.003460 318.8 362.6
345(17) 0.003460 318.8 356.9
327(17) 0.003460 318.8 351.6
336(17) 0.003460 318.7 346.9
349(17) 0.003460 318.7 342.7
352(17) 0.003460 318.7 339.1
312(16) 0.00391 318.6 336.2
338(17) 0.003460 318.6 333.8
319(16) 0.00391 318.6 331.9
329(17) 0.003460 318.5 330.5
347(17) 0.003460 318.5 329.6
353(17) 0.003460 318.5 329.0
363(18) 0.003086 318.5 328.8
301(16) 0.00391 318.4 329.0
342(17) 0.003460 318.4 329.4
325(17) 0.003460 318.4 330.2
352(17) 0.003460 318.4 331.4
341(17) 0.003460 318.3 332.8
338(17) 0.003460 318.3 334.6
327(17) 0.003460 318.3 336.7
330(17) 0.003460 318.3 339.0
360(17) 0.003460 318.2 341.6
374(18) 0.003086 318.2 344.4
340(17) 0.003460 318.2 347.3
339(17) 0.003460 318.2 350.3
318(16) 0.00391 318.1 353.2
337(17) 0.003460 318.1 355.9
339(17) 0.003460 318.1 358.3
357(17) 0.003460 318.1 360.5
351(17) 0.003460 318.1 362.2
372(18) 0.003086 318.0 363.7
363(18) 0.003086 318.0 364.8
366(18) 0.003086 318.0 365.5
357(17) 0.003460 318.0 366.0
357(17) 0.003460 318.0 366.3
372(18) 0.003086 318.0 366.4
331(17) 0.003460 317.9 366.6
374(18) 0.003086 317.9 367.0
347(17) 0.003460 317.9 367.9
362(18) 0.003086 317.9 369.4
391(18) 0.003086 317.9 371.6
387(18) 0.003086 317.9 374.8
359(18) 0.003086 317.8 378.9
384(18) 0.003086 317.8 384.1
409(19) 0.002770 317.8 390.2
362(18) 0.003086 317.8 397.1
378(18) 0.003086 317.8 404.6
389(18) 0.003086 317.8 412.3
381(18) 0.003086 317.8 419.9
435(19) 0.002770 317.8 427.0
434(19) 0.002770 317.7 433.1
437(19) 0.002770 317.7 437.9
438(19) 0.002770 317.7 441.0
458(20) 0.002500 317.7 442.2
429(19) 0.002770 317.7 441.4
445(20) 0.002500 317.7 438.8
457(20) 0.002500 317.7 434.7
446(20) 0.002500 317.7 429.5
410(19) 0.002770 317.7 423.8
419(19) 0.002770 317.7 417.9
443(19) 0.002770 317.7 412.1
419(19) 0.002770 317.7 406.6
393(18) 0.003086 317.7 401.6
387(18) 0.003086 317.6 397.0
395(18) 0.003086 317.6 392.7
361(18) 0.003086 317.6 388.9
367(18) 0.003086 317.6 385.2
391(18) 0.003086 317.6 382.0
393(18) 0.003086 317.6 379.1
393(18) 0.003086 317.6 376.7
386(18) 0.003086 317.6 375.0
359(18) 0.003086 317.6 374.1
390(18) 0.003086 317.6 374.1
373(18) 0.003086 317.6 375.0
408(19) 0.002770 317.6 376.9
383(18) 0.003086 317.6 379.9
386(18) 0.003086 317.6 383.8
425(19) 0.002770 317.6 388.5
416(19) 0.002770 317.6 394.0
393(18) 0.003086 317.6 399.9
402(19) 0.002770 317.6 406.0
416(19) 0.002770 317.6 412.1
435(19) 0.002770 317.6 417.7
460(20) 0.002500 317.6 422.6
400(19) 0.002770 317.6 426.6
436(19) 0.002770 317.7 429.4
403(19) 0.002770 317.7 431.1
407(19) 0.002770 317.7 431.7
437(19) 0.002770 317.7 431.4
436(19) 0.002770 317.7 430.5
459(20) 0.002500 317.7 429.1
414(19) 0.002770 317.7 427.5
394(18) 0.003086 317.7 425.7
443(19) 0.002770 317.7 423.7
440(19) 0.002770 317.7 421.5
408(19) 0.002770 317.7 419.1
377(18) 0.003086 317.7 416.4
434(19) 0.002770 317.7 413.4
417(19) 0.002770 317.8 410.3
419(19) 0.002770 317.8 407.0
427(19) 0.002770 317.8 403.9
449(20) 0.002500 317.8 401.1
408(19) 0.002770 317.8 398.7
400(19) 0.002770 317.8 396.8
386(18) 0.003086 317.8 395.5
418(19) 0.002770 317.8 394.8
380(18) 0.003086 317.9 394.6
390(18) 0.003086 317.9 394.8
418(19) 0.002770 317.9 395.3
390(18) 0.003086 317.9 396.0
369(18) 0.003086 317.9 396.8
409(19) 0.002770 317.9 397.5
430(19) 0.002770 317.9 397.7
408(19) 0.002770 318.0 397.4
426(19) 0.002770 318.0 396.3
384(18) 0.003086 318.0 394.4
396(18) 0.003086 318.0 391.8
376(18) 0.003086 318.0 388.5
377(18) 0.003086 318.0 384.8
373(18) 0.003086 318.1 380.8
361(18) 0.003086 318.1 376.9
374(18) 0.003086 318.1 373.2
391(18) 0.003086 318.1 369.8
363(18) 0.003086 318.1 366.9
355(17) 0.003460 318.2 364.5
374(18) 0.003086 318.2 362.6
372(18) 0.003086 318.2 361.2
350(17) 0.003460 318.2 360.3
354(17) 0.003460 318.3 359.9
376(18) 0.003086 318.3 360.0
359(18) 0.003086 318.3 360.4
354(17) 0.003460 318.3 361.3
380(18) 0.003086 318.4 362.7
359(18) 0.003086 318.4 364.4
378(18) 0.003086 318.4 366.6
362(18) 0.003086 318.4 369.0
336(17) 0.003460 318.5 371.6
382(18) 0.003086 318.5 374.4
385(17) 0.003460 318.5 376.9
363(17) 0.003460 318.5 379.2
392(17) 0.003460 318.6 381.0
397(18) 0.003086 318.6 382.2
383(17) 0.003460 318.6 382.5
367(17) 0.003460 318.6 382.0
395(18) 0.003086 318.7 380.8
400(18) 0.003086 318.7 378.9
395(18) 0.003086 318.7 376.5
352(17) 0.003460 318.8 373.8
362(17) 0.003460 318.8 371.0
348(16) 0.00391 318.8 368.3
370(17) 0.003460 318.9 365.8
343(16) 0.00391 318.9 363.7
366(17) 0.003460 318.9 362.1
350(16) 0.00391 319.0 361.2
355(17) 0.003460 319.0 361.0
376(17) 0.003460 319.0 361.6
339(16) 0.00391 319.1 363.2
372(17) 0.003460 319.1 365.6
367(17) 0.003460 319.1 368.9
367(17) 0.003460 319.2 373.1
369(17) 0.003460 319.2 378.0
367(17) 0.003460 319.2 383.6
388(17) 0.003460 319.3 389.7
402(18) 0.003086 319.3 396.0
377(17) 0.003460 319.3 402.3
407(18) 0.003086 319.4 408.3
392(17) 0.003460 319.4 413.6
405(18) 0.003086 319.5 418.1
423(18) 0.003086 319.5 421.4
395(18) 0.003086 319.5 423.3
427(18) 0.003086 319.6 423.7
398(18) 0.003086 319.6 422.5
435(18) 0.003086 319.6 419.9
396(18) 0.003086 319.7 416.1
394(18) 0.003086 319.7 411.4
392(17) 0.003460 319.8 406.1
420(18) 0.003086 319.8 400.6
416(18) 0.003086 319.8 395.1
403(18) 0.003086 319.9 390.0
412(18) 0.003086 319.9 385.4
394(18) 0.003086 320.0 381.5
394(18) 0.003086 320.0 378.4
388(17) 0.003460 320.1 376.1
355(17) 0.003460 320.1 374.6
370(17) 0.003460 320.1 373.7
385(17) 0.003460 320.2 373.5
369(17) 0.003460 320.2 373.8
370(17) 0.003460 320.3 374.5
370(17) 0.003460 320.3 375.5
389(17) 0.003460 320.4 376.6
400(18) 0.003086 320.4 377.8
405(18) 0.003086 320.5 379.0
393(18) 0.003086 320.5 380.0
391(17) 0.003460 320.6 381.0
384(17) 0.003460 320.6 381.6
379(17) 0.003460 320.7 382.0
364(17) 0.003460 320.7 382.0
373(17) 0.003460 320.7 381.5
384(17) 0.003460 320.8 380.5
381(17) 0.003460 320.8 379.0
348(16) 0.00391 320.9 377.0
353(17) 0.003460 320.9 374.4
381(17) 0.003460 321.0 371.6
362(17) 0.003460 321.0 368.6
372(17) 0.003460 321.1 365.5
381(17) 0.003460 321.1 362.4
364(17) 0.003460 321.2 359.6
366(17) 0.003460 321.2 357.1
358(17) 0.003460 321.3 355.0
339(16) 0.00391 321.3 353.3
356(17) 0.003460 321.4 352.1
349(16) 0.00391 321.5 351.4
356(17) 0.003460 321.5 351.2
339(16) 0.00391 321.6 351.5
366(17) 0.003460 321.6 352.4
354(17) 0.003460 321.7 353.6
345(16) 0.00391 321.7 355.2
363(17) 0.003460 321.8 357.1
362(17) 0.003460 321.8 359.1
369(17) 0.003460 321.9 361.3
362(17) 0.003460 321.9 363.5
371(17) 0.003460 322.0 365.7
390(17) 0.003460 322.1 367.7
358(17) 0.003460 322.1 369.5
361(17) 0.003460 322.2 371.1
378(17) 0.003460 322.2 372.4
375(17) 0.003460 322.3 373.3
361(17) 0.003460 322.3 373.8
373(17) 0.003460 322.4 373.9
384(17) 0.003460 322.4 373.5
353(17) 0.003460 322.5 372.7
379(17) 0.003460 322.6 371.6
363(17) 0.003460 322.6 370.4
371(17) 0.003460 322.7 369.2
371(17) 0.003460 322.7 368.1
365(17) 0.003460 322.8 367.2
340(16) 0.00391 322.9 366.8
357(23) 0.001890 322.9 366.8
371(17) 0.003460 323.0 367.3
392(17) 0.003460 323.0 368.4
377(17) 0.003460 323.1 370.1
370(17) 0.003460 323.2 372.3
364(17) 0.003460 323.2 375.0
370(17) 0.003460 323.3 378.1
378(17) 0.003460 323.3 381.6
394(17) 0.003460 323.4 385.3
396(18) 0.003086 323.5 389.1
374(17) 0.003460 323.5 392.9
384(17) 0.003460 323.6 396.4
399(18) 0.003086 323.7 399.6
406(18) 0.003086 323.7 402.3
396(18) 0.003086 323.8 404.4
399(18) 0.003086 323.9 405.8
386(17) 0.003460 323.9 406.6
405(18) 0.003086 324.0 406.7
408(18) 0.003086 324.0 406.3
419(18) 0.003086 324.1 405.4
395(18) 0.003086 324.2 404.2
388(17) 0.003460 324.2 402.7
406(18) 0.003086 324.3 400.9
399(18) 0.003086 324.4 399.0
393(17) 0.003460 324.4 396.9
405(18) 0.003086 324.5 394.7
378(17) 0.003460 324.6 392.4
382(17) 0.003460 324.6 389.9
401(18) 0.003086 324.7 387.5
402(18) 0.003086 324.8 385.0
379(17) 0.003460 324.8 382.5
372(17) 0.003460 324.9 380.1
379(17) 0.003460 325.0 377.8
390(17) 0.003460 325.0 375.5
372(17) 0.003460 325.1 373.4
377(17) 0.003460 325.2 371.4
358(17) 0.003460 325.2 369.5
353(17) 0.003460 325.3 367.8
358(17) 0.003460 325.4 366.2
337(16) 0.00391 325.5 364.7
345(16) 0.00391 325.5 363.4
356(17) 0.003460 325.6 362.3
357(17) 0.003460 325.7 361.3
366(17) 0.003460 325.7 360.4
358(17) 0.003460 325.8 359.5
365(17) 0.003460 325.9 358.7
370(17) 0.003460 325.9 357.9
368(17) 0.003460 326.0 357.1
340(16) 0.00391 326.1 356.3
351(16) 0.00391 326.2 355.5
349(16) 0.00391 326.2 354.7
349(16) 0.00391 326.3 354.0
339(16) 0.00391 326.4 353.4
336(16) 0.00391 326.4 352.9
342(16) 0.00391 326.5 352.5
338(16) 0.00391 326.6 352.4
332(16) 0.00391 326.7 352.6
363(17) 0.003460 326.7 353.0
352(17) 0.003460 326.8 353.9
350(16) 0.00391 326.9 355.0
360(17) 0.003460 327.0 356.6
382(17) 0.003460 327.0 358.7
363(17) 0.003460 327.1 361.1
382(17) 0.003460 327.2 363.9
373(17) 0.003460 327.2 367.0
374(17) 0.003460 327.3 370.5
364(17) 0.003460 327.4 374.2
390(17) 0.003460 327.5 378.0
375(17) 0.003460 327.5 381.9
370(17) 0.003460 327.6 385.7
380(17) 0.003460 327.7 389.3
408(18) 0.003086 327.8 392.6
396(18) 0.003086 327.8 395.6
382(17) 0.003460 327.9 398.3
376(17) 0.003460 328.0 400.5
418(18) 0.003086 328.1 402.3
406(18) 0.003086 328.1 403.7
394(17) 0.003460 328.2 404.8
391(17) 0.003460 328.3 405.6
399(18) 0.003086 328.4 406.2
399(18) 0.003086 328.5 406.5
407(18) 0.003086 328.5 406.7
400(18) 0.003086 328.6 406.8
413(18) 0.003086 328.7 406.8
400(18) 0.003086 328.8 406.7
403(18) 0.003086 328.8 406.6
403(18) 0.003086 328.9 406.4
398(18) 0.003086 329.0 406.1
405(18) 0.003086 329.1 405.8
409(18) 0.003086 329.1 405.6
421(18) 0.003086 329.2 405.4
414(18) 0.003086 329.3 405.3
395(18) 0.003086 329.4 405.3
410(18) 0.003086 329.5 405.6
415(18) 0.003086 329.5 406.2
423(18) 0.003086 329.6 407.1
421(18) 0.003086 329.7 408.3
426(18) 0.003086 329.8 409.8
426(18) 0.003086 329.9 411.6
417(18) 0.003086 329.9 413.5
435(18) 0.003086 330.0 415.6
428(18) 0.003086 330.1 417.7
421(18) 0.003086 330.2 419.8
405(18) 0.003086 330.2 421.6
427(18) 0.003086 330.3 423.3
407(18) 0.003086 330.4 424.7
435(18) 0.003086 330.5 425.9
465(19) 0.002770 330.6 426.9
448(19) 0.002770 330.6 427.7
417(18) 0.003086 330.7 428.5
430(18) 0.003086 330.8 429.3
433(18) 0.003086 330.9 430.1
443(18) 0.003086 331.0 430.8
431(18) 0.003086 331.0 431.6
434(18) 0.003086 331.1 432.5
425(18) 0.003086 331.2 433.4
437(18) 0.003086 331.3 434.4
443(18) 0.003086 331.4 435.6
435(18) 0.003086 331.4 437.0
397(17) 0.003460 331.5 438.6
422(18) 0.003086 331.6 440.5
429(18) 0.003086 331.7 442.8
415(18) 0.003086 331.8 445.3
424(18) 0.003086 331.8 448.0
444(19) 0.002770 331.9 450.9
453(19) 0.002770 332.0 454.0
460(19) 0.002770 332.1 457.2
453(19) 0.002770 332.2 460.4
486(19) 0.002770 332.3 463.7
476(19) 0.002770 332.3 467.0
451(19) 0.002770 332.4 470.2
455(19) 0.002770 332.5 473.4
473(19) 0.002770 332.6 476.4
496(20) 0.002500 332.7 479.4
490(19) 0.002770 332.7 482.2
516(20) 0.002500 332.8 484.7
514(20) 0.002500 332.9 487.0
494(20) 0.002500 333.0 488.9
484(19) 0.002770 333.1 490.4
500(20) 0.002500 333.1 491.4
498(20) 0.002500 333.2 491.9
497(20) 0.002500 333.3 491.8
483(19) 0.002770 333.4 491.1
490(19) 0.002770 333.5 489.8
495(20) 0.002500 333.6 487.8
470(19) 0.002770 333.6 485.3
483(19) 0.002770 333.7 482.3
494(20) 0.002500 333.8 479.0
462(19) 0.002770 333.9 475.3
467(19) 0.002770 334.0 471.6
524(20) 0.002500 334.1 467.8
479(19) 0.002770 334.1 464.2
482(19) 0.002770 334.2 460.7
488(19) 0.002770 334.3 457.4
475(19) 0.002770 334.4 454.4
487(19) 0.002770 334.5 451.8
459(19) 0.002770 334.5 449.4
464(19) 0.002770 334.6 447.2
479(19) 0.002770 334.7 445.3
468(19) 0.002770 334.8 443.4
474(19) 0.002770 334.9 441.6
446(19) 0.002770 335.0 439.8
461(19) 0.002770 335.0 437.9
471(19) 0.002770 335.1 436.0
446(19) 0.002770 335.2 433.9
450(19) 0.002770 335.3 431.6
454(19) 0.002770 335.4 429.1
439(18) 0.003086 335.5 426.5
449(19) 0.002770 335.5 423.6
471(19) 0.002770 335.6 420.6
432(18) 0.003086 335.7 417.5
405(18) 0.003086 335.8 414.3
422(18) 0.003086 335.9 411.1
402(18) 0.003086 335.9 407.9
399(18) 0.003086 336.0 404.8
405(18) 0.003086 336.1 401.8
404(18) 0.003086 336.2 399.0
408(18) 0.003086 336.3 396.4
409(18) 0.003086 336.4 394.2
379(17) 0.003460 336.4 392.3
389(17) 0.003460 336.5 390.9
395(17) 0.003460 336.6 390.0
392(17) 0.003460 336.7 389.6
386(17) 0.003460 336.8 389.9
357(17) 0.003460 336.9 390.8
391(17) 0.003460 336.9 392.4
398(18) 0.003086 337.0 394.6
378(17) 0.003460 337.1 397.5
398(18) 0.003086 337.2 401.0
407(18) 0.003086 337.3 405.2
412(18) 0.003086 337.3 409.9
411(18) 0.003086 337.4 415.1
415(18) 0.003086 337.5 420.6
411(18) 0.003086 337.6 426.5
409(18) 0.003086 337.7 432.6
440(18) 0.003086 337.8 438.8
465(19) 0.002770 337.8 444.9
424(18) 0.003086 337.9 450.9
450(19) 0.002770 338.0 456.6
460(19) 0.002770 338.1 462.0
471(19) 0.002770 338.2 466.8
457(19) 0.002770 338.2 470.9
493(20) 0.002500 338.3 474.2
451(19) 0.002770 338.4 476.6
480(20) 0.002500 338.5 478.1
467(19) 0.002770 338.6 478.5
451(19) 0.002770 338.7 478.0
468(19) 0.002770 338.7 476.4
455(19) 0.002770 338.8 474.0
432(19) 0.002770 338.9 470.8
470(20) 0.002500 339.0 467.0
456(19) 0.002770 339.1 462.9
471(20) 0.002500 339.1 458.6
451(19) 0.002770 339.2 454.4
445(19) 0.002770 339.3 450.4
465(19) 0.002770 339.4 446.9
461(19) 0.002770 339.5 443.9
454(19) 0.002770 339.5 441.6
436(19) 0.002770 339.6 440.1
411(18) 0.003086 339.7 439.3
435(19) 0.002770 339.8 439.2
454(19) 0.002770 339.9 439.8
459(19) 0.002770 339.9 440.9
453(19) 0.002770 340.0 442.6
459(19) 0.002770 340.1 444.6
472(20) 0.002500 340.2 446.7
472(20) 0.002500 340.3 448.9
450(19) 0.002770 340.3 450.8
470(20) 0.002500 340.4 452.3
433(19) 0.002770 340.5 453.3
445(19) 0.002770 340.6 453.6
467(19) 0.002770 340.7 453.1
465(19) 0.002770 340.7 451.9
452(19) 0.002770 340.8 449.8
435(19) 0.002770 340.9 447.0
438(19) 0.002770 341.0 443.6
448(19) 0.002770 341.1 439.6
446(19) 0.002770 341.1 435.1
450(19) 0.002770 341.2 430.4
431(19) 0.002770 341.3 425.5
427(19) 0.002770 341.4 420.5
392(18) 0.003086 341.5 415.6
393(18) 0.003086 341.5 410.8
366(17) 0.003460 341.6 406.3
379(17) 0.003460 341.7 402.1
393(18) 0.003086 341.8 398.3
398(18) 0.003086 341.9 394.9
396(18) 0.003086 341.9 392.0
395(18) 0.003086 342.0 389.6
364(17) 0.003460 342.1 387.7
356(17) 0.003460 342.2 386.2
352(17) 0.003460 342.2 385.2
384(18) 0.003086 342.3 384.7
400(18) 0.003086 342.4 384.5
406(18) 0.003086 342.5 384.6
385(18) 0.003086 342.6 385.0
371(17) 0.003460 342.6 385.6
408(18) 0.003086 342.7 386.4
389(18) 0.003086 342.8 387.2
379(17) 0.003460 342.9 388.2
367(17) 0.003460 342.9 389.1
414(18) 0.003086 343.0 390.0
385(18) 0.003086 343.1 390.9
393(18) 0.003086 343.2 391.7
403(18) 0.003086 343.2 392.6
401(18) 0.003086 343.3 393.4
395(18) 0.003086 343.4 394.2
398(18) 0.003086 343.5 395.2
375(17) 0.003460 343.5 396.2
404(18) 0.003086 343.6 397.4
426(19) 0.002770 343.7 398.9
417(18) 0.003086 343.8 400.5
417(18) 0.003086 343.8 402.4
393(18) 0.003086 343.9 404.5
432(19) 0.002770 344.0 407.0
408(18) 0.003086 344.1 409.6
420(18) 0.003086 344.1 412.5
436(19) 0.002770 344.2 415.6
409(18) 0.003086 344.3 418.9
406(18) 0.003086 344.4 422.2
393(18) 0.003086 344.4 425.5
424(19) 0.002770 344.5 428.7
418(18) 0.003086 344.6 431.8
404(18) 0.003086 344.7 434.6
422(18) 0.003086 344.7 437.1
433(19) 0.002770 344.8 439.1
420(18) 0.003086 344.9 440.7
445(19) 0.002770 345.0 441.9
447(19) 0.002770 345.0 442.6
459(19) 0.002770 345.1 442.8
441(19) 0.002770 345.2 442.7
453(19) 0.002770 345.2 442.1
437(19) 0.002770 345.3 441.2
431(19) 0.002770 345.4 440.0
449(19) 0.002770 345.5 438.6
417(18) 0.003086 345.5 436.9
415(18) 0.003086 345.6 435.1
439(19) 0.002770 345.7 433.1
419(18) 0.003086 345.7 431.0
408(18) 0.003086 345.8 428.9
416(15) 0.00444 345.9 426.7
436(19) 0.002770 346.0 424.6
454(20) 0.002500 346.0 422.5
386(18) 0.003086 346.1 420.4
437(19) 0.002770 346.2 418.3
412(19) 0.002770 346.2 416.3
390(18) 0.003086 346.3 414.2
419(19) 0.002770 346.4 412.1
381(18) 0.003086 346.5 409.9
401(18) 0.003086 346.5 407.8
396(18) 0.003086 346.6 405.7
403(18) 0.003086 346.7 403.6
400(18) 0.003086 346.7 401.5
391(18) 0.003086 346.8 399.6
392(18) 0.003086 346.9 397.9
409(19) 0.002770 346.9 396.3
395(18) 0.003086 347.0 395.0
396(18) 0.003086 347.1 394.0
393(18) 0.003086 347.1 393.3
402(18) 0.003086 347.2 392.9
422(19) 0.002770 347.3 392.9
426(19) 0.002770 347.3 393.2
423(19) 0.002770 347.4 393.9
366(18) 0.003086 347.5 394.8
342(17) 0.003460 347.5 396.2
401(18) 0.003086 347.6 397.8
404(18) 0.003086 347.7 399.6
378(18) 0.003086 347.7 401.7
387(18) 0.003086 347.8 404.0
411(19) 0.002770 347.9 406.4
395(18) 0.003086 347.9 408.9
415(19) 0.002770 348.0 411.5
410(19) 0.002770 348.1 414.1
404(18) 0.003086 348.1 416.6
397(18) 0.003086 348.2 419.1
418(19) 0.002770 348.3 421.5
420(19) 0.002770 348.3 423.8
427(19) 0.002770 348.4 425.9
471(20) 0.002500 348.4 427.9
453(20) 0.002500 348.5 429.8
435(19) 0.002770 348.6 431.6
461(20) 0.002500 348.6 433.2
417(19) 0.002770 348.7 434.6
453(20) 0.002500 348.8 435.8
465(20) 0.002500 348.8 436.8
453(20) 0.002500 348.9 437.6
435(19) 0.002770 348.9 438.2
423(19) 0.002770 349.0 438.6
440(19) 0.002770 349.1 438.7
469(20) 0.002500 349.1 438.6
447(19) 0.002770 349.2 438.4
424(19) 0.002770 349.3 438.0
431(19) 0.002770 349.3 437.6
426(19) 0.002770 349.4 437.1
438(19) 0.002770 349.4 436.6
458(20) 0.002500 349.5 436.2
473(20) 0.002500 349.6 435.9
430(19) 0.002770 349.6 435.8
420(19) 0.002770 349.7 435.9
439(19) 0.002770 349.7 436.1
442(19) 0.002770 349.8 436.6
453(20) 0.002500 349.9 437.2
454(20) 0.002500 349.9 437.9
465(20) 0.002500 350.0 438.7
433(19) 0.002770 350.0 439.6
466(20) 0.002500 350.1 440.4
450(20) 0.002500 350.1 441.2
448(19) 0.002770 350.2 441.8
450(20) 0.002500 350.3 442.2
442(19) 0.002770 350.3 442.4
453(20) 0.002500 350.4 442.2
446(19) 0.002770 350.4 441.8
432(19) 0.002770 350.5 441.0
469(20) 0.002500 350.5 439.8
478(20) 0.002500 350.6 438.3
442(19) 0.002770 350.6 436.5
466(20) 0.002500 350.7 434.4
441(19) 0.002770 350.8 432.0
459(20) 0.002500 350.8 429.5
407(19) 0.002770 350.9 426.9
454(20) 0.002500 350.9 424.2
422(19) 0.002770 351.0 421.6
425(19) 0.002770 351.0 419.1
419(19) 0.002770 351.1 416.8
421(19) 0.002770 351.1 414.7
415(19) 0.002770 351.2 412.9
412(19) 0.002770 351.2 411.4
435(19) 0.002770 351.3 410.3
393(18) 0.003086 351.3 409.6
437(19) 0.002770 351.4 409.4
394(18) 0.003086 351.4 409.6
427(19) 0.002770 351.5 410.3
381(18) 0.003086 351.5 411.4
403(18) 0.003086 351.6 413.0
385(18) 0.003086 351.6 415.1
384(18) 0.003086 351.7 417.5
432(19) 0.002770 351.7 420.3
439(19) 0.002770 351.8 423.4
427(19) 0.002770 351.8 426.8
424(19) 0.002770 351.9 430.4
417(19) 0.002770 351.9 434.1
440(19) 0.002770 352.0 437.9
445(19) 0.002770 352.0 441.6
442(19) 0.002770 352.1 445.3
458(19) 0.002770 352.1 448.8
428(18) 0.003086 352.2 452.0
443(19) 0.002770 352.2 454.9
455(19) 0.002770 352.3 457.4
441(19) 0.002770 352.3 459.5
442(19) 0.002770 352.4 461.0
403(18) 0.003086 352.4 462.0
462(19) 0.002770 352.5 462.5
462(19) 0.002770 352.5 462.5
446(19) 0.002770 352.6 461.9
468(19) 0.002770 352.6 460.9
479(19) 0.002770 352.6 459.4
449(19) 0.002770 352.7 457.6
415(18) 0.003086 352.7 455.6
456(19) 0.002770 352.8 453.4
464(19) 0.002770 352.8 451.1
450(19) 0.002770 352.9 448.7
472(19) 0.002770 352.9 446.4
434(18) 0.003086 352.9 444.2
445(19) 0.002770 353.0 442.2
435(19) 0.002770 353.0 440.4
457(19) 0.002770 353.1 438.8
470(19) 0.002770 353.1 437.4
442(19) 0.002770 353.2 436.4
434(18) 0.003086 353.2 435.5
431(18) 0.003086 353.2 434.9
421(18) 0.003086 353.3 434.6
424(18) 0.003086 353.3 434.3
459(19) 0.002770 353.4 434.3
453(19) 0.002770 353.4 434.3
458(19) 0.002770 353.4 434.4
448(19) 0.002770 353.5 434.4
444(19) 0.002770 353.5 434.4
428(18) 0.003086 353.5 434.4
398(18) 0.003086 353.6 434.2
416(18) 0.003086 353.6 433.9
419(18) 0.003086 353.7 433.4
417(18) 0.003086 353.7 432.9
427(18) 0.003086 353.7 432.2
435(18) 0.003086 353.8 431.3
409(18) 0.003086 353.8 430.4
403(18) 0.003086 353.8 429.4
428(18) 0.003086 353.9 428.4
399(18) 0.003086 353.9 427.4
433(18) 0.003086 353.9 426.3
404(18) 0.003086 354.0 425.4
416(18) 0.003086 354.0 424.6
431(18) 0.003086 354.0 423.9
411(18) 0.003086 354.1 423.4
442(19) 0.002770 354.1 423.1
428(18) 0.003086 354.1 423.1
405(18) 0.003086 354.2 423.4
377(17) 0.003460 354.2 423.9
412(18) 0.003086 354.2 424.8
425(18) 0.003086 354.3 426.0
466(19) 0.002770 354.3 427.5
428(18) 0.003086 354.3 429.3
414(18) 0.003086 354.4 431.3
421(18) 0.003086 354.4 433.6
419(18) 0.003086 354.4 436.0
408(18) 0.003086 354.4 438.7
419(18) 0.003086 354.5 441.4
445(19) 0.002770 354.5 444.1
442(19) 0.002770 354.5 446.9
451(19) 0.002770 354.6 449.7
464(19) 0.002770 354.6 452.3
458(19) 0.002770 354.6 454.8
463(19) 0.002770 354.6 457.2
478(19) 0.002770 354.7 459.4
505(20) 0.002500 354.7 461.4
448(19) 0.002770 354.7 463.2
468(19) 0.002770 354.7 464.8
472(19) 0.002770 354.8 466.3
456(19) 0.002770 354.8 467.5
511(20) 0.002500 354.8 468.6
480(19) 0.002770 354.8 469.5
458(19) 0.002770 354.9 470.2
505(20) 0.002500 354.9 470.8
491(20) 0.002500 354.9 471.1
494(20) 0.002500 354.9 471.3
486(20) 0.002500 354.9 471.3
502(20) 0.002500 355.0 471.0
507(20) 0.002500 355.0 470.6
458(19) 0.002770 355.0 470.1
504(20) 0.002500 355.0 469.3
465(19) 0.002770 355.0 468.4
511(20) 0.002500 355.1 467.3
501(20) 0.002500 355.1 466.0
475(19) 0.002770 355.1 464.7
485(20) 0.002500 355.1 463.2
469(19) 0.002770 355.1 461.6
459(19) 0.002770 355.2 460.1
439(19) 0.002770 355.2 458.5
469(19) 0.002770 355.2 456.9
449(19) 0.002770 355.2 455.5
460(19) 0.002770 355.2 454.2
510(28) 0.001276 355.2 453.1
454(19) 0.002770 355.3 452.3
451(19) 0.002770 355.3 451.7
471(19) 0.002770 355.3 451.4
467(19) 0.002770 355.3 451.4
442(18) 0.003086 355.3 451.8
456(19) 0.002770 355.3 452.5
500(20) 0.002500 355.3 453.5
485(19) 0.002770 355.4 454.9
479(19) 0.002770 355.4 456.6
464(19) 0.002770 355.4 458.6
436(18) 0.003086 355.4 460.8
445(18) 0.003086 355.4 463.3
440(18) 0.003086 355.4 465.9
473(19) 0.002770 355.4 468.7
488(19) 0.002770 355.4 471.5
471(19) 0.002770 355.4 474.3
462(19) 0.002770 355.5 477.1
488(19) 0.002770 355.5 479.7
494(19) 0.002770 355.5 482.1
474(19) 0.002770 355.5 484.2
472(19) 0.002770 355.5 486.0
449(19) 0.002770 355.5 487.4
479(19) 0.002770 355.5 488.3
481(19) 0.002770 355.5 488.9
494(19) 0.002770 355.5 489.0
494(19) 0.002770 355.5 488.7
455(19) 0.002770 355.5 487.9
459(19) 0.002770 355.5 486.8
502(20) 0.002500 355.5 485.4
501(20) 0.002500 355.5 483.8
488(19) 0.002770 355.5 481.9
473(19) 0.002770 355.5 479.8
450(19) 0.002770 355.5 477.6
435(18) 0.003086 355.5 475.4
468(19) 0.002770 355.5 473.1
478(19) 0.002770 355.5 470.8
443(18) 0.003086 355.5 468.5
480(19) 0.002770 355.5 466.4
463(19) 0.002770 355.5 464.3
439(18) 0.003086 355.5 462.3
449(19) 0.002770 355.5 460.4
474(19) 0.002770 355.5 458.7
464(19) 0.002770 355.5 457.2
430(18) 0.003086 355.5 455.8
444(18) 0.003086 355.5 454.6
477(19) 0.002770 355.5 453.6
466(19) 0.002770 355.5 452.8
453(19) 0.002770 355.5 452.2
453(19) 0.002770 355.5 451.8
460(19) 0.002770 355.5 451.7
445(18) 0.003086 355.5 451.7
450(19) 0.002770 355.5 451.9
463(19) 0.002770 355.5 452.3
470(19) 0.002770 355.5 452.9
489(19) 0.002770 355.5 453.5
464(19) 0.002770 355.5 454.3
461(19) 0.002770 355.5 455.2
484(19) 0.002770 355.5 456.2
449(19) 0.002770 355.5 457.1
484(19) 0.002770 355.5 458.1
469(19) 0.002770 355.4 459.0
494(19) 0.002770 355.4 459.9
480(19) 0.002770 355.4 460.7
457(19) 0.002770 355.4 461.3
435(18) 0.003086 355.4 461.8
446(19) 0.002770 355.4 462.1
455(19) 0.002770 355.4 462.3
471(19) 0.002770 355.4 462.2
478(19) 0.002770 355.4 462.0
466(19) 0.002770 355.3 461.5
493(19) 0.002770 355.3 460.9
485(19) 0.002770 355.3 460.2
473(19) 0.002770 355.3 459.4
460(19) 0.002770 355.3 458.5
479(19) 0.002770 355.3 457.5
469(19) 0.002770 355.3 456.4
463(19) 0.002770 355.2 455.4
466(19) 0.002770 355.2 454.4
434(18) 0.003086 355.2 453.4
439(18) 0.003086 355.2 452.4
465(19) 0.002770 355.2 451.5
447(19) 0.002770 355.2 450.7
459(19) 0.002770 355.1 449.9
444(18) 0.003086 355.1 449.3
460(19) 0.002770 355.1 448.7
444(18) 0.003086 355.1 448.2
477(19) 0.002770 355.1 447.8
450(19) 0.002770 355.0 447.4
476(19) 0.002770 355.0 447.2
481(19) 0.002770 355.0 447.0
444(18) 0.003086 355.0 446.9
445(18) 0.003086 355.0 446.8
450(19) 0.002770 354.9 446.7
466(19) 0.002770 354.9 446.7
447(19) 0.002770 354.9 446.7
451(19) 0.002770 354.9 446.6
446(18) 0.003086 354.8 446.5
463(19) 0.002770 354.8 446.4
445(18) 0.003086 354.8 446.3
436(15) 0.00444 354.8 446.1
432(18) 0.003086 354.7 445.8
428(18) 0.003086 354.7 445.4
450(19) 0.002770 354.7 444.9
451(19) 0.002770 354.7 444.2
436(18) 0.003086 354.6 443.5
455(19) 0.002770 354.6 442.6
432(18) 0.003086 354.6 441.5
416(18) 0.003086 354.5 440.3
437(18) 0.003086 354.5 439.0
417(18) 0.003086 354.5 437.5
435(18) 0.003086 354.5 435.9
462(19) 0.002770 354.4 434.1
459(19) 0.002770 354.4 432.2
437(18) 0.003086 354.4 430.2
424(18) 0.003086 354.3 428.1
416(18) 0.003086 354.3 425.9
414(18) 0.003086 354.3 423.6
402(18) 0.003086 354.2 421.4
409(18) 0.003086 354.2 419.1
415(18) 0.003086 354.2 416.7
397(17) 0.003460 354.1 414.4
419(18) 0.003086 354.1 412.2
393(17) 0.003460 354.1 409.9
379(17) 0.003460 354.0 407.8
411(18) 0.003086 354.0 405.7
396(17) 0.003460 354.0 403.6
397(17) 0.003460 353.9 401.7
395(17) 0.003460 353.9 399.9
397(17) 0.003460 353.8 398.1
379(17) 0.003460 353.8 396.5
389(17) 0.003460 353.8 394.9
394(17) 0.003460 353.7 393.5
382(17) 0.003460 353.7 392.2
424(18) 0.003086 353.7 391.0
410(18) 0.003086 353.6 389.9
390(17) 0.003460 353.6 388.9
394(17) 0.003460 353.5 388.0
374(17) 0.003460 353.5 387.2
353(16) 0.00391 353.5 386.5
371(17) 0.003460 353.4 385.8
386(17) 0.003460 353.4 385.3
365(17) 0.003460 353.3 384.8
371(17) 0.003460 353.3 384.4
356(17) 0.003460 353.2 384.1
373(17) 0.003460 353.2 383.8
371(17) 0.003460 353.2 383.6
367(17) 0.003460 353.1 383.5
374(17) 0.003460 353.1 383.4
373(17) 0.003460 353.0 383.3
390(17) 0.003460 353.0 383.3
377(17) 0.003460 352.9 383.4
380(17) 0.003460 352.9 383.5
380(17) 0.003460 352.9 383.7
388(17) 0.003460 352.8 383.9
370(17) 0.003460 352.8 384.2
378(17) 0.003460 352.7 384.5
366(17) 0.003460 352.7 384.9
373(17) 0.003460 352.6 385.3
383(17) 0.003460 352.6 385.9
361(17) 0.003460 352.5 386.5
389(17) 0.003460 352.5 387.1
361(17) 0.003460 352.4 387.8
380(17) 0.003460 352.4 388.7
381(17) 0.003460 352.3 389.5
387(17) 0.003460 352.3 390.5
402(18) 0.003086 352.2 391.5
408(18) 0.003086 352.2 392.6
392(17) 0.003460 352.1 393.8
397(17) 0.003460 352.1 395.0
383(17) 0.003460 352.0 396.3
382(17) 0.003460 352.0 397.7
377(17) 0.003460 351.9 399.1
410(18) 0.003086 351.9 400.5
402(18) 0.003086 351.8 402.0
414(18) 0.003086 351.8 403.5
416(18) 0.003086 351.7 405.0
403(18) 0.003086 351.7 406.5
385(17) 0.003460 351.6 408.1
410(18) 0.003086 351.6 409.6
423(18) 0.003086 351.5 411.1
410(18) 0.003086 351.5 412.6
420(18) 0.003086 351.4 414.1
397(17) 0.003460 351.4 415.6
382(17) 0.003460 351.3 417.0
387(17) 0.003460 351.3 418.4
407(18) 0.003086 351.2 419.7
416(18) 0.003086 351.2 421.0
430(18) 0.003086 351.1 422.3
422(18) 0.003086 351.1 423.5
410(18) 0.003086 351.0 424.7
429(18) 0.003086 351.0 425.9
442(18) 0.003086 350.9 427.1
416(18) 0.003086 350.9 428.3
424(18) 0.003086 350.8 429.5
447(19) 0.002770 350.8 430.7
452(19) 0.002770 350.7 432.0
433(18) 0.003086 350.7 433.3
465(19) 0.002770 350.6 434.7
457(19) 0.002770 350.6 436.1
456(19) 0.002770 350.5 437.7
449(19) 0.002770 350.4 439.3
449(19) 0.002770 350.4 440.9
463(19) 0.002770 350.3 442.7
458(19) 0.002770 350.3 444.5
429(18) 0.003086 350.2 446.4
433(19) 0.002770 350.2 448.3
461(19) 0.002770 350.1 450.2
432(18) 0.003086 350.1 452.2
437(19) 0.002770 350.0 454.1
436(19) 0.002770 350.0 456.0
446(19) 0.002770 349.9 457.9
453(19) 0.002770 349.9 459.7
446(19) 0.002770 349.8 461.3
449(19) 0.002770 349.8 462.9
454(19) 0.002770 349.7 464.3
456(19) 0.002770 349.7 465.5
465(19) 0.002770 349.6 466.6
469(19) 0.002770 349.6 467.4
450(19) 0.002770 349.5 468.1
458(19) 0.002770 349.5 468.5
476(19) 0.002770 349.4 468.7
477(19) 0.002770 349.4 468.7
444(19) 0.002770 349.3 468.4
470(19) 0.002770 349.3 468.0
478(19) 0.002770 349.2 467.3
468(19) 0.002770 349.2 466.5
455(19) 0.002770 349.1 465.5
470(19) 0.002770 349.1 464.4
439(19) 0.002770 349.0 463.2
467(19) 0.002770 349.0 461.8
483(20) 0.002500 348.9 460.4
484(20) 0.002500 348.9 458.8
451(19) 0.002770 348.8 457.3
427(18) 0.003086 348.8 455.6
428(18) 0.003086 348.7 454.0
455(19) 0.002770 348.7 452.3
472(19) 0.002770 348.7 450.7
446(19) 0.002770 348.6 449.0
459(19) 0.002770 348.6 447.3
454(19) 0.002770 348.5 445.7
442(19) 0.002770 348.5 444.1
474(19) 0.002770 348.4 442.6
474(19) 0.002770 348.4 441.1
476(19) 0.002770 348.4 439.6
448(19) 0.002770 348.3 438.3
439(19) 0.002770 348.3 437.0
461(19) 0.002770 348.2 435.8
454(19) 0.002770 348.2 434.7
448(19) 0.002770 348.2 433.7
413(18) 0.003086 348.1 432.8
450(19) 0.002770 348.1 432.1
459(19) 0.002770 348.0 431.5
444(19) 0.002770 348.0 431.1
443(19) 0.002770 348.0 430.8
436(19) 0.002770 347.9 430.6
431(18) 0.003086 347.9 430.6
443(19) 0.002770 347.9 430.8
453(19) 0.002770 347.8 431.1
423(18) 0.003086 347.8 431.6
459(19) 0.002770 347.8 432.2
435(19) 0.002770 347.8 432.9
430(18) 0.003086 347.7 433.7
433(19) 0.002770 347.7 434.6
455(19) 0.002770 347.7 435.6
448(19) 0.002770 347.7 436.7
441(19) 0.002770 347.6 437.9
452(19) 0.002770 347.6 439.1
460(19) 0.002770 347.6 440.3
444(19) 0.002770 347.6 441.5
431(18) 0.003086 347.5 442.7
421(18) 0.003086 347.5 443.9
438(19) 0.002770 347.5 445.1
455(19) 0.002770 347.5 446.1
495(20) 0.002500 347.5 447.1
472(19) 0.002770 347.5 448.0
464(19) 0.002770 347.4 448.8
467(19) 0.002770 347.4 449.5
437(19) 0.002770 347.4 450.1
428(18) 0.003086 347.4 450.5
474(19) 0.002770 347.4 450.8
456(19) 0.002770 347.4 450.9
440(19) 0.002770 347.4 450.9
450(19) 0.002770 347.4 450.8
422(18) 0.003086 347.4 450.6
458(19) 0.002770 347.4 450.2
494(20) 0.002500 347.4 449.7
436(19) 0.002770 347.4 449.1
441(19) 0.002770 347.4 448.4
472(19) 0.002770 347.4 447.6
468(19) 0.002770 347.4 446.7
471(19) 0.002770 347.4 445.8
443(19) 0.002770 347.4 444.9
440(19) 0.002770 347.4 443.9
446(19) 0.002770 347.5 443.0
441(19) 0.002770 347.5 442.0
453(19) 0.002770 347.5 441.0
416(18) 0.003086 347.5 440.1
472(19) 0.002770 347.5 439.2
440(19) 0.002770 347.6 438.3
459(19) 0.002770 347.6 437.5
435(19) 0.002770 347.6 436.7
425(19) 0.002770 347.6 436.0
426(19) 0.002770 347.7 435.4
432(19) 0.002770 347.7 434.8
440(19) 0.002770 347.7 434.3
421(18) 0.003086 347.8 433.8
448(19) 0.002770 347.8 433.4
439(19) 0.002770 347.9 433.1
439(19) 0.002770 347.9 432.9
425(19) 0.002770 347.9 432.7
432(19) 0.002770 348.0 432.5
441(19) 0.002770 348.0 432.4
461(19) 0.002770 348.1 432.3
437(19) 0.002770 348.2 432.3
436(19) 0.002770 348.2 432.3
442(19) 0.002770 348.3 432.3
428(19) 0.002770 348.3 432.2
437(19) 0.002770 348.4 432.2
471(20) 0.002500 348.5 432.2
459(19) 0.002770 348.5 432.1
437(19) 0.002770 348.6 432.1
448(19) 0.002770 348.7 431.9
437(19) 0.002770 348.8 431.8
437(19) 0.002770 348.8 431.5
450(19) 0.002770 348.9 431.3
444(19) 0.002770 349.0 430.9
425(19) 0.002770 349.1 430.5
402(18) 0.003086 349.2 430.0
427(19) 0.002770 349.3 429.5
415(18) 0.003086 349.4 428.8
398(18) 0.003086 349.5 428.1
403(18) 0.003086 349.6 427.4
422(19) 0.002770 349.7 426.5
432(19) 0.002770 349.8 425.5
417(18) 0.003086 349.9 424.5
420(18) 0.003086 350.1 423.5
420(18) 0.003086 350.2 422.3
396(18) 0.003086 350.3 421.1
424(19) 0.002770 350.4 419.8
439(19) 0.002770 350.6 418.5
415(18) 0.003086 350.7 417.2
398(18) 0.003086 350.9 415.8
385(18) 0.003086 351.0 414.5
405(18) 0.003086 351.1 413.1
412(18) 0.003086 351.3 411.7
425(19) 0.002770 351.5 410.3
417(18) 0.003086 351.6 409.0
389(18) 0.003086 351.8 407.7
408(18) 0.003086 351.9 406.4
426(19) 0.002770 352.1 405.1
421(18) 0.003086 352.3 403.9
377(18) 0.003086 352.5 402.8
394(18) 0.003086 352.7 401.8
401(18) 0.003086 352.8 400.8
404(18) 0.003086 353.0 399.9
421(18) 0.003086 353.2 399.0
436(19) 0.002770 353.4 398.3
424(19) 0.002770 353.6 397.6
400(18) 0.003086 353.9 397.0
406(18) 0.003086 354.1 396.5
397(18) 0.003086 354.3 396.2
392(18) 0.003086 354.5 395.8
397(18) 0.003086 354.7 395.6
414(18) 0.003086 355.0 395.5
395(18) 0.003086 355.2 395.5
393(18) 0.003086 355.5 395.5
388(18) 0.003086 355.7 395.6
392(18) 0.003086 356.0 395.9
397(18) 0.003086 356.2 396.2
407(18) 0.003086 356.5 396.5
404(18) 0.003086 356.8 397.0
393(18) 0.003086 357.1 397.5
386(18) 0.003086 357.3 398.0
396(18) 0.003086 357.6 398.6
397(18) 0.003086 357.9 399.3
391(18) 0.003086 358.2 400.0
370(17) 0.003460 358.5 400.8
388(18) 0.003086 358.8 401.6
412(18) 0.003086 359.1 402.4
390(18) 0.003086 359.5 403.3
387(18) 0.003086 359.8 404.2
398(18) 0.003086 360.1 405.1
410(18) 0.003086 360.5 406.0
400(18) 0.003086 360.8 407.0
394(18) 0.003086 361.2 408.0
410(18) 0.003086 361.5 408.9
400(18) 0.003086 361.9 409.9
408(18) 0.003086 362.3 410.9
436(19) 0.002770 362.7 411.9
405(18) 0.003086 363.1 412.8
396(18) 0.003086 363.4 413.8
421(18) 0.003086 363.8 414.8
438(19) 0.002770 364.3 415.7
416(18) 0.003086 364.7 416.7
402(18) 0.003086 365.1 417.7
415(18) 0.003086 365.5 418.6
416(18) 0.003086 366.0 419.5
420(18) 0.003086 366.4 420.5
409(18) 0.003086 366.9 421.4
430(15) 0.00444 367.3 422.3
435(19) 0.002770 367.8 423.2
412(18) 0.003086 368.3 424.1
411(18) 0.003086 368.8 424.9
428(19) 0.002770 369.2 425.8
426(19) 0.002770 369.7 426.7
414(19) 0.002770 370.3 427.5
431(19) 0.002770 370.8 428.3
426(19) 0.002770 371.3 429.1
421(19) 0.002770 371.8 430.0
422(19) 0.002770 372.4 430.8
418(19) 0.002770 372.9 431.5
413(19) 0.002770 373.5 432.3
409(18) 0.003086 374.0 433.1
411(18) 0.003086 374.6 433.9
431(19) 0.002770 375.2 434.6
435(19) 0.002770 375.8 435.3
426(19) 0.002770 376.4 436.1
430(19) 0.002770 377.0 436.8
432(19) 0.002770 377.6 437.5
463(20) 0.002500 378.3 438.2
465(20) 0.002500 378.9 438.9
443(19) 0.002770 379.6 439.7
429(19) 0.002770 380.2 440.4
421(19) 0.002770 380.9 441.1
450(19) 0.002770 381.6 441.8
452(19) 0.002770 382.3 442.5
444(19) 0.002770 383.0 443.3
455(19) 0.002770 383.7 444.0
459(19) 0.002770 384.4 444.8
440(19) 0.002770 385.2 445.6
444(19) 0.002770 385.9 446.4
448(19) 0.002770 386.7 447.2
447(19) 0.002770 387.4 448.0
454(19) 0.002770 388.2 448.9
452(19) 0.002770 389.0 449.9
464(20) 0.002500 389.8 450.8
449(19) 0.002770 390.6 451.8
455(19) 0.002770 391.5 452.8
460(19) 0.002770 392.3 453.9
428(19) 0.002770 393.1 455.0
447(19) 0.002770 394.0 456.1
466(20) 0.002500 394.9 457.2
447(19) 0.002770 395.8 458.4
439(19) 0.002770 396.7 459.7
435(19) 0.002770 397.6 460.9
470(20) 0.002500 398.5 462.2
478(20) 0.002500 399.4 463.5
464(20) 0.002500 400.4 464.8
448(19) 0.002770 401.3 466.2
471(20) 0.002500 402.3 467.6
479(20) 0.002500 403.3 468.9
497(20) 0.002500 404.3 470.3
497(20) 0.002500 405.3 471.7
478(20) 0.002500 406.4 473.2
488(20) 0.002500 407.4 474.6
494(20) 0.002500 408.5 476.0
480(20) 0.002500 409.5 477.4
472(20) 0.002500 410.6 478.8
453(19) 0.002770 411.7 480.2
470(20) 0.002500 412.8 481.6
498(20) 0.002500 414.0 482.9
501(20) 0.002500 415.1 484.3
493(20) 0.002500 416.3 485.6
483(20) 0.002500 417.5 487.0
489(20) 0.002500 418.6 488.3
493(20) 0.002500 419.8 489.6
486(20) 0.002500 421.1 490.9
478(20) 0.002500 422.3 492.2
497(20) 0.002500 423.6 493.5
512(21) 0.002268 424.8 494.7
518(21) 0.002268 426.1 496.0
508(20) 0.002500 427.4 497.3
510(20) 0.002500 428.8 498.5
520(21) . . .
496(20) . . .
486(20) . . .
497(20) . . .
480(20) . . .
497(20) . . .
501(20) . . .
488(20) . . .
517(21) . . .
514(21) . . .
528(21) . . .
519(21) . . .
502(20) . . .
517(21) . . .
488(20) . . .
495(20) . . .
508(20) . . .
500(20) . . .
507(20) . . .
509(20) . . .
533(21) . . .
505(20) . . .
483(20) . . .
530(21) . . .
529(21) . . .
504(20) . . .
522(21) . . .
515(21) . . .
498(21) . . .
532(21) . . .
514(21) . . .
497(21) . . .
517(21) . . .
507(21) . . .
513(21) . . .
537(21) . . .
567(22) . . .
546(22) . . .
533(21) . . .
546(22) . . .
536(21) . . .
536(21) . . .
523(21) . . .
498(21) . . .
524(21) . . .
533(21) . . .
548(22) . . .
543(22) . . .
551(22) . . .
513(21) . . .
539(22) . . .
531(21) . . .
540(22) . . .
538(22) . . .
530(21) . . .
510(21) . . .
525(21) . . .
538(22) . . .
578(22) . . .
574(22) . . .
540(22) . . .
550(22) . . .
554(22) . . .
541(22) . . .
517(21) . . .
537(22) . . .
557(22) . . .
565(22) . . .
557(22) . . .
536(21) . . .
546(22) . . .
579(22) . . .
579(22) . . .
570(22) . . .
592(23) . . .
575(22) . . .
573(22) . . .
576(22) . . .
569(22) . . .
568(22) . . .
581(22) . . .
556(22) . . .
611(23) . . .
576(22) . . .
592(22) . . .
581(22) . . .
622(23) . . .
639(23) . . .
631(23) . . .
607(23) . . .
589(22) . . .
619(23) . . .
595(23) . . .
603(23) . . .
597(23) . . .
611(23) . . .
623(23) . . .
654(24) . . .
656(24) . . .
651(24) . . .
666(24) . . .
669(24) . . .
630(23) . . .
623(23) . . .
641(23) . . .
651(23) . . .
646(23) . . .
660(24) . . .
673(24) . . .
651(23) . . .
661(24) . . .
682(24) . . .
669(24) . . .
647(23) . . .
644(23) . . .
643(23) . . .
671(24) . . .
662(24) . . .
659(24) . . .
703(24) . . .
677(24) . . .
707(24) . . .
735(25) . . .
695(24) . . .
719(25) . . .
700(24) . . .
664(34) . . .
733(36) . . .
705(35) . . .
721(36) . . .
784(37) . . .
793(37) . . .
728(36) . . .
694(35) . . .
717(36) . . .
736(36) . . .
713(35) . . .
721(36) . . .
772(37) . . .
772(37) . . .
761(36) . . .
734(36) . . .
763(37) . . .
738(36) . . .
759(36) . . .
761(36) . . .
751(36) . . .
779(37) . . .
731(36) . . .
798(37) . . .
772(37) . . .
782(37) . . .
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750(36) . . .
763(37) . . .
785(37) . . .
807(37) . . .
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801(37) . . .
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801(37) . . .
878(39) . . .
856(38) . . .
812(38) . . .
851(38) . . .
861(39) . . .
799(37) . . .
813(38) . . .
909(40) . . .
796(37) . . .
886(39) . . .
806(37) . . .
803(37) . . .
868(39) . . .
877(39) . . .
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774(37) . . .
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862(39) . . .
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842(38) . . .
826(38) . . .
863(39) . . .
863(39) . . .
874(39) . . .
840(38) . . .
847(38) . . .
820(38) . . .
829(38) . . .
813(38) . . .
808(37) . . .
768(37) . . .
852(38) . . .
943(40) . . .
832(38) . . .
834(38) . . .
838(38) . . .
879(39) . . .
802(37) . . .
844(38) . . .
903(39) . . .
884(39) . . .
896(39) . . .
880(39) . . .
857(38) . . .
908(40) . . .
836(38) . . .
862(39) . . .
900(39) . . .
878(39) . . .
840(38) . . .
873(39) . . .
852(38) . . .
934(40) . . .
930(40) . . .
892(39) . . .
894(39) . . .
926(40) . . .
928(40) . . .
921(40) . . .
923(40) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             819
_reflns_limit_h_min              0
_reflns_limit_h_max              25
_reflns_limit_k_min              -12
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.065
_reflns_d_resolution_low         13.167
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003001'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_BARE_ZN_publ

_pd_block_id                     2013-11-26T14:41|BARE_ZN||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2013-11-26T14:41
_audit_update_record             
; 2013-11-26T14:41  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.02
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     47
_refine_ls_goodness_of_fit_all   0.98
_refine_ls_number_restraints     9
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.9292(24)
_cell_length_b                   25.9292
_cell_length_c                   6.7962(9)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3957.1(6)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Zn Zn1 0.3833(9) 0.3534(11) 0.1394(27) 1.0 Uiso 0.021(6) 18
O O1 0.3305(9) 0.2968(8) 0.3816(34) 1.0 Uiso 0.0144(32) 18
O O2 0.2999(10) 0.2273(10) 0.6027(28) 1.0 Uiso 0.0144(32) 18
O O3 0.3541(9) 0.2723(10) 0.0013(33) 1.0 Uiso 0.0144(32) 18
C C1 0.3166(9) 0.2450(9) 0.4287(29) 1.0 Uiso 0.0146(21) 18
C C2 0.3267(9) 0.2058(9) 0.2859(27) 1.0 Uiso 0.0146(21) 18
C C3 0.3441(9) 0.2235(10) 0.0940(26) 1.0 Uiso 0.0146(21) 18
C C4 0.3521(9) 0.1845(10) -0.0294(29) 1.0 Uiso 0.0146(21) 18
H H 0.3651(20) 0.1942(19) -0.158(7) 1.0 Uiso 0.052(15) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4 H O3 Zn'
_chemical_formula_weight         162.43
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 Zn1 2.993(24) . 103_554 N
Zn1 Zn1 2.993(24) . 202_555 N
Zn1 O1 2.174(27) . 1_555 N
Zn1 O1 2.080(26) . 103_554 N
Zn1 O2 1.975(29) . 202_554 N
Zn1 O3 2.068(31) . 1_555 N
Zn1 O3 1.988(33) . 202_555 N
O1 Zn1 2.174(27) . 1_555 N
O1 Zn1 2.080(26) . 202_555 N
O1 O2 2.169(30) . 1_555 N
O1 C1 1.246(27) . 1_555 N
O2 Zn1 1.975(29) . 103_555 N
O2 O1 2.169(30) . 1_555 N
O2 C1 1.264(23) . 1_555 N
O3 Zn1 2.068(31) . 1_555 N
O3 Zn1 1.988(33) . 103_554 N
O3 C3 1.319(29) . 1_555 N
C1 O1 1.246(27) . 1_555 N
C1 O2 1.264(23) . 1_555 N
C1 C2 1.519(30) . 1_555 N
C2 C1 1.519(30) . 1_555 N
C2 C3 1.381(24) . 1_555 N
C3 O3 1.319(29) . 1_555 N
C3 C2 1.381(24) . 1_555 N
C3 C4 1.406(26) . 1_555 N
C4 C3 1.406(26) . 1_555 N
C4 H 0.93(5) . 1_555 N
H C4 0.93(5) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn1 O1 81.0(8) 1_555 . 103_554 N
O1 Zn1 O2 173.4(17) 1_555 . 202_554 N
O1 Zn1 O3 82.6(11) 1_555 . 1_555 N
O1 Zn1 O3 80.0(11) 1_555 . 202_555 N
O1 Zn1 O2 105.6(14) 103_554 . 202_554 N
O1 Zn1 O3 80.5(11) 103_554 . 1_555 N
O1 Zn1 O3 94.9(12) 103_554 . 202_555 N
O2 Zn1 O3 98.8(13) 202_554 . 1_555 N
O2 Zn1 O3 98.7(16) 202_554 . 202_555 N
O3 Zn1 O3 162.5(16) 1_555 . 202_555 N
Zn1 O1 Zn1 89.4(8) 1_555 . 202_555 N
Zn1 O1 C1 131.9(20) 1_555 . 1_555 N
Zn1 O1 C1 138.6(19) 202_555 . 1_555 N
Zn1 O2 C1 120.4(19) 103_555 . 1_555 N
Zn1 O3 Zn1 95.1(14) 1_555 . 103_554 N
Zn1 O3 C3 123.7(19) 1_555 . 1_555 N
Zn1 O3 C3 129.0(19) 103_554 . 1_555 N
O1 C1 O2 119.6(24) 1_555 . 1_555 N
O1 C1 C2 120.1(23) 1_555 . 1_555 N
O2 C1 C2 119.8(20) 1_555 . 1_555 N
C1 C2 C3 121.2(24) 1_555 . 1_555 N
O3 C3 C2 130.1(25) 1_555 . 1_555 N
O3 C3 C4 112.1(19) 1_555 . 1_555 N
C2 C3 C4 117.8(21) 1_555 . 1_555 N
C3 C4 H 122.2(32) 1_555 . 1_555 N

# Powder diffraction data for histogram  5
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT602_BARE_ZN_publ        
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: The material is very porous and has been evacuated.
;
_vrf_PLAT341_BARE_ZN_publ        
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0300 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Zn 18.0 0.5680 International_Tables_Vol_C
O 54.0 0.5803 International_Tables_Vol_C
C 72.0 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0402
_pd_proc_ls_prof_wR_factor       0.0484
_pd_proc_ls_prof_wR_expected     0.0499
_refine_ls_R_Fsqd_factor         0.04520

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    357.282     2:   -80.2684     3:    57.2288     4:   -8.42231    
      5:    24.9828     6:   -1.35769     7:    12.2165     8:   -1.31075    
      9:    6.49603    10:  -0.867218    11:    3.90147    12:  -7.136940E-02
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =   52.558 #2(GV)   =  -44.867 #3(GW)   =   50.132
 #4(GP)   =   35.614 #5(LX)   =    0.000 #6(LY)   =   63.534
 #7(S/L)  =   0.0200 #8(H/L)  =   0.0458
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2013-11-26T14:41:23
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.518
_pd_proc_2theta_range_max        166.268
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
5540(160) 0.0 833. .
4570(140) 0.0 829. .
4140(130) 0.0 825. .
3480(120) 0.0 821. .
3230(120) 0.0 817. .
2820(110) 0.0 813. .
2530(110) 0.0 809. .
2470(100) 0.0 805. .
2049(94) 0.0 801. .
1944(92) 0.0 797. .
1838(89) 0.0 794. .
1737(87) 0.0 790. .
1451(79) 0.0 786. .
1433(78) 0.0 782. .
1451(79) 0.0 779. .
1328(75) 0.0 775. .
1227(72) 0.0 772. .
1323(75) 0.0 768. .
1068(67) 0.0 765. .
1319(75) 0.0 761. .
1161(70) 0.0 758. .
1029(66) 0.0 754. .
1148(70) 0.0 751. .
1077(68) 0.0 748. .
1213(72) 0.0 744. .
1068(67) 0.0 741. .
1196(71) 0.0 738. .
1205(72) 0.0 735. .
1148(70) 0.0 731. .
1077(68) 0.0 728. .
1011(66) 0.0 725. .
928(63) 0.0 722. .
1024(66) 0.0 719. .
928(63) 0.0 716. .
941(63) 0.0 713. .
800(58) 0.0 710. .
994(65) 0.0 707. .
932(63) 0.0 704. .
818(59) 0.0 701. .
897(62) 0.0 698. .
804(58) 0.0 695. .
998(65) 0.0 693. .
954(64) 0.0 690. .
848(60) 0.0 687. .
879(61) 0.0 684. .
840(60) 0.0 681. .
826(59) 0.0 679. .
826(59) 0.0 676. .
848(60) 0.0 673. .
703(54) 0.0 671. .
804(58) 0.0 668. .
690(54) 0.0 666. .
760(56) 0.0 663. .
787(58) 0.0 661. .
809(58) 0.0 658. .
796(58) 0.0 656. .
791(58) 0.0 653. .
743(56) 0.0 651. .
857(60) 0.0 648. .
782(57) 0.0 646. .
791(58) 0.0 643. .
747(56) 0.0 641. .
690(54) 0.0 639. .
708(54) 0.0 636. .
699(54) 0.0 634. .
690(54) 0.0 632. .
721(55) 0.0 630. .
712(55) 0.0 627. .
743(56) 0.0 625. .
730(55) 0.0 623. .
633(51) 0.0 621. .
646(52) 0.0 619. .
703(54) 0.0 617. .
646(52) 0.0 615. .
567(48) 0.0 613. .
580(49) 0.0 611. .
567(48) 0.0 608. .
563(48) 0.0 606. .
686(54) 0.0 604. .
672(53) 0.0 602. .
545(47) 0.0 601. .
672(53) 0.0 599. .
708(54) 0.0 597. .
602(50) 0.0 595. .
536(47) 0.0 593. .
672(53) 0.0 591. .
624(51) 0.0 589. .
607(50) 0.0 587. .
646(52) 0.0 586. .
580(49) 0.0 584. .
628(51) 0.0 582. .
501(45) 0.0 580. .
686(54) 0.0 579. .
615(51) 0.0 577. .
541(47) 0.0 575. .
523(46) 0.0 573. .
585(49) 0.0 572. .
536(47) 0.0 570. .
567(48) 0.0 568. .
571(49) 0.0 567. .
740(39) 0.0 565. .
668(37) 0.0 564. .
704(38) 0.0 562. .
650(36) 0.0 560. .
640(36) 0.0 559. .
652(36) 0.0 557. .
636(36) 0.0 556. .
576(34) 0.000865 554.4 562.0
564(33) 0.000918 552.9 560.9
580(34) 0.000865 551.5 559.8
538(33) 0.000918 550.0 558.8
566(33) 0.000918 548.6 557.9
525(32) 0.000977 547.1 556.9
519(32) 0.000977 545.7 556.1
579(34) 0.000865 544.3 555.3
533(32) 0.000977 542.9 554.5
525(32) 0.000977 541.6 553.9
533(32) 0.000977 540.2 553.3
539(33) 0.000918 538.9 552.8
541(33) 0.000918 537.6 552.4
532(32) 0.000977 536.2 552.1
478(31) 0.001041 534.9 552.0
562(33) 0.000918 533.7 552.0
505(31) 0.001041 532.4 552.1
584(34) 0.000865 531.1 552.5
608(35) 0.000816 529.9 553.1
644(36) 0.000772 529. 554.
590(34) 0.000865 527.4 555.1
576(34) 0.000865 526.2 556.6
584(34) 0.000865 525.0 558.7
545(33) 0.000918 523.8 561.3
619(35) 0.000816 522.6 564.7
597(34) 0.000865 521.5 569.3
631(35) 0.000816 520.3 575.9
657(36) 0.000772 519. 587.
666(36) 0.000772 518. 606.
751(39) 0.000657 517. 641.
827(41) 0.000595 516. 702.
947(44) 0.000517 515. 796.
1054(46) 0.000473 514. 930.
1118(48) 0.000434 513. 1102.
1249(51) 0.000384 512. 1311.
1540(56) 0.0003189 510. 1557.
1781(61) 0.0002687 509. 1843.
2114(66) 0.0002296 508. 2180.
2393(70) 0.0002041 507. 2581.
2958(78) 0.0001644 506. 3071.
3646(87) 0.0001321 505. 3687.
4598(98) 0.0001041 504. 4476.
5670(110) 0.0000842 503. 5474.
6830(120) 0.0000694 502. 6632.
8050(130) 0.0000592 501. 7717.
8440(130) 0.0000565 501. 8290.
7960(130) 0.0000601 500. 7890.
6550(120) 0.0000731 499. 6437.
4577(98) 0.0001041 498. 4497.
2904(78) 0.0001644 497. 2792.
1720(59) 0.0002873 496. 1662.
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1049(46) 0.000473 433. 969.
1241(50) 0.000400 432. 1187.
1413(54) 0.0003429 432. 1448.
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1852(62) 0.0002601 431. 1904.
1789(61) 0.0002687 431. 1930.
1573(57) 0.0003078 431. 1740.
1239(50) 0.000400 431. 1404.
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433(20) 0.002500 337.3 408.9
425(20) 0.002500 337.2 408.3
422(20) 0.002500 337.2 411.3
396(20) 0.002500 337.1 417.3
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366(18) 0.003086 336.3 378.9
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419(19) 0.002770 335.8 412.9
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416(19) 0.002770 335.7 398.4
401(19) 0.002770 335.7 389.6
388(19) 0.002770 335.6 381.7
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369(18) 0.003086 335.5 370.0
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365(18) 0.003086 335.4 363.3
391(19) 0.002770 335.3 363.2
359(18) 0.003086 335.2 363.5
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358(18) 0.003086 333.7 342.7
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333(17) 0.003460 333.3 344.1
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344(18) 0.003086 333.0 347.9
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385(19) 0.002770 332.6 374.4
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362(18) 0.003086 331.9 366.8
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366(18) 0.003086 331.8 358.6
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380(18) 0.003086 330.6 369.3
366(17) 0.003460 330.5 373.4
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361(17) 0.003460 330.4 378.2
370(18) 0.003086 330.3 378.0
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393(18) 0.003086 330.2 374.2
370(18) 0.003086 330.2 372.5
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383(18) 0.003086 329.8 395.5
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430(19) 0.002770 329.7 421.7
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473(20) 0.002500 329.6 454.4
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495(20) 0.002500 329.4 477.9
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370(18) 0.003086 328.8 377.5
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402(18) 0.003086 328.7 377.2
398(18) 0.003086 328.7 377.8
371(18) 0.003086 328.6 378.1
372(18) 0.003086 328.5 377.8
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363(17) 0.003460 328.3 361.9
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329(17) 0.003460 326.9 338.6
330(17) 0.003460 326.8 338.5
320(16) 0.00391 326.8 338.5
322(16) 0.00391 326.7 338.5
323(16) 0.00391 326.6 338.6
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333(17) 0.003460 326.5 340.1
345(17) 0.003460 326.4 341.3
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361(17) 0.003460 325.8 362.3
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360(17) 0.003460 324.4 356.5
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445(19) 0.002770 318.7 434.0
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383(18) 0.003086 316.6 400.9
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395(18) 0.003086 316.4 403.9
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333(16) 0.00391 314.4 333.8
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333(16) 0.00391 314.2 334.5
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379(17) 0.003460 313.6 377.4
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386(17) 0.003460 313.3 370.9
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363(17) 0.003460 313.1 370.8
380(17) 0.003460 313.0 368.2
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337(16) 0.00391 312.9 354.5
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330(16) 0.00391 312.8 349.5
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334(16) 0.00391 312.6 348.9
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354(17) 0.003460 312.5 349.4
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346(16) 0.00391 312.4 349.9
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350(16) 0.00391 312.3 359.7
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365(17) 0.003460 312.2 367.6
385(17) 0.003460 312.2 371.6
397(18) 0.003086 312.2 374.9
344(16) 0.00391 312.1 377.1
378(17) 0.003460 312.1 377.7
366(17) 0.003460 312.1 376.7
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399(17) 0.003460 311.3 377.9
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312(15) 0.00444 309.8 321.4
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302(15) 0.00444 309.8 322.6
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329(16) 0.00391 309.6 326.7
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332(16) 0.00391 309.5 332.6
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313(16) 0.00391 308.9 332.8
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349(17) 0.003460 308.4 343.9
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346(17) 0.003460 307.7 350.7
368(17) 0.003460 307.7 353.1
359(17) 0.003460 307.7 355.2
329(16) 0.00391 307.6 356.9
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352(17) 0.003460 307.6 359.3
366(17) 0.003460 307.6 360.4
334(16) 0.00391 307.6 361.6
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365(17) 0.003460 307.5 364.7
365(17) 0.003460 307.5 366.5
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358(17) 0.003460 307.4 369.6
369(17) 0.003460 307.4 370.7
392(18) 0.003086 307.4 371.1
410(18) 0.003086 307.4 370.9
371(17) 0.003460 307.3 370.1
339(17) 0.003460 307.3 368.7
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379(18) 0.003086 307.0 371.8
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369(17) 0.003460 306.6 347.8
337(17) 0.003460 306.6 346.1
329(17) 0.003460 306.6 344.2
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366(17) 0.003460 306.0 351.9
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364(17) 0.003460 305.8 363.7
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394(17) 0.003460 303.9 370.9
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397(17) 0.003460 303.4 379.9
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380(17) 0.003460 297.2 374.0
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364(17) 0.003460 296.7 374.4
386(17) 0.003460 296.7 372.5
357(17) 0.003460 296.6 370.3
359(17) 0.003460 296.6 367.9
367(17) 0.003460 296.6 365.3
354(17) 0.003460 296.5 362.6
358(17) 0.003460 296.5 359.8
367(17) 0.003460 296.4 357.1
355(17) 0.003460 296.4 354.6
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338(16) 0.00391 296.2 348.5
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345(16) 0.00391 296.2 346.3
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330(16) 0.00391 296.0 345.8
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381(17) 0.003460 295.9 348.3
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327(16) 0.00391 295.2 345.9
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330(16) 0.00391 295.2 343.4
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342(16) 0.00391 295.1 341.0
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335(16) 0.00391 294.8 333.8
332(16) 0.00391 294.7 333.1
335(16) 0.00391 294.7 332.4
335(16) 0.00391 294.6 331.7
332(16) 0.00391 294.6 331.1
314(16) 0.00391 294.5 330.4
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329(16) 0.00391 294.5 328.9
319(16) 0.00391 294.4 328.0
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342(16) 0.00391 294.3 326.3
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312(16) 0.00391 294.2 323.9
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315(16) 0.00391 294.0 322.1
307(16) 0.00391 294.0 322.0
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326(16) 0.00391 293.9 322.3
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335(16) 0.00391 293.6 326.8
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347(16) 0.00391 293.6 329.4
330(16) 0.00391 293.5 330.9
319(16) 0.00391 293.5 332.3
345(16) 0.00391 293.4 333.9
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341(16) 0.00391 293.2 342.8
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348(17) 0.003460 293.1 345.5
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350(17) 0.003460 293.0 349.5
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392(17) 0.003460 292.8 354.0
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362(17) 0.003460 292.7 359.9
360(17) 0.003460 292.7 362.1
395(18) 0.003086 292.6 364.3
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370(17) 0.003460 292.5 370.7
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374(17) 0.003460 292.4 373.7
382(17) 0.003460 292.4 374.6
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349(17) 0.003460 292.3 375.3
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366(17) 0.003460 291.4 347.2
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356(17) 0.003460 291.2 344.7
345(17) 0.003460 291.2 344.7
331(17) 0.003460 291.1 344.9
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345(17) 0.003460 291.1 345.9
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359(17) 0.003460 290.9 350.9
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365(17) 0.003460 290.4 358.5
389(18) 0.003086 290.4 358.8
357(17) 0.003460 290.3 359.1
341(17) 0.003460 290.3 359.3
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366(17) 0.003460 290.2 358.8
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351(17) 0.003460 289.9 353.3
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342(17) 0.003460 289.7 349.4
338(17) 0.003460 289.7 348.8
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346(17) 0.003460 289.6 347.7
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351(17) 0.003460 289.6 346.6
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347(17) 0.003460 289.5 345.4
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343(17) 0.003460 289.4 342.3
358(17) 0.003460 289.4 341.4
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332(17) 0.003460 289.3 339.7
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319(16) 0.00391 289.2 338.2
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339(17) 0.003460 289.0 336.4
339(17) 0.003460 289.0 336.6
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320(17) 0.003460 288.7 341.5
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348(17) 0.003460 287.9 336.2
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333(17) 0.003460 287.9 337.1
317(17) 0.003460 287.9 337.6
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351(17) 0.003460 287.8 338.7
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312(17) 0.003460 287.7 339.5
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299(16) 0.00391 287.7 337.1
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331(17) 0.003460 287.5 327.8
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311(17) 0.003460 287.4 321.6
311(17) 0.003460 287.4 321.6
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326(17) 0.003460 287.4 322.6
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303(16) 0.00391 287.3 323.9
316(17) 0.003460 287.3 324.7
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316(17) 0.003460 287.3 332.5
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318(17) 0.003460 287.2 336.0
327(17) 0.003460 287.2 337.9
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326(17) 0.003460 287.2 342.1
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350(17) 0.003460 287.0 352.9
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367(17) 0.003460 286.9 348.2
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340(17) 0.003460 286.9 344.5
354(17) 0.003460 286.9 343.5
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359(17) 0.003460 286.9 340.1
337(17) 0.003460 286.9 339.3
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318(16) 0.00391 286.9 337.5
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354(17) 0.003460 288.2 343.1
381(17) 0.003460 288.2 344.6
331(16) 0.00391 288.3 346.2
336(16) 0.00391 288.3 347.8
346(17) 0.003460 288.3 349.4
370(17) 0.003460 288.3 351.0
364(17) 0.003460 288.3 352.6
351(17) 0.003460 288.3 354.2
360(17) 0.003460 288.3 355.7
376(17) 0.003460 288.3 357.1
370(17) 0.003460 288.4 358.5
362(17) 0.003460 288.4 359.8
358(17) 0.003460 288.4 361.0
357(17) 0.003460 288.4 362.0
363(17) 0.003460 288.4 363.0
359(17) 0.003460 288.4 363.9
368(17) 0.003460 288.4 364.6
380(17) 0.003460 288.4 365.2
356(17) 0.003460 288.5 365.8
370(17) 0.003460 288.5 366.2
392(18) 0.003086 288.5 366.5
377(17) 0.003460 288.5 366.7
405(18) 0.003086 288.5 366.8
370(17) 0.003460 288.5 366.8
369(17) 0.003460 288.5 366.6
373(17) 0.003460 288.5 366.4
374(17) 0.003460 288.6 366.1
382(17) 0.003460 288.6 365.7
374(17) 0.003460 288.6 365.3
369(17) 0.003460 288.6 364.7
372(17) 0.003460 288.6 364.0
344(17) 0.003460 288.6 363.2
343(17) 0.003460 288.6 362.3
337(16) 0.00391 288.7 361.4
360(17) 0.003460 288.7 360.3
379(17) 0.003460 288.7 359.2
333(16) 0.00391 288.7 358.0
359(17) 0.003460 288.7 356.7
383(17) 0.003460 288.7 355.4
364(17) 0.003460 288.7 354.0
352(17) 0.003460 288.7 352.6
357(17) 0.003460 288.8 351.3
349(17) 0.003460 288.8 350.0
335(16) 0.00391 288.8 348.7
356(17) 0.003460 288.8 347.5
353(17) 0.003460 288.8 346.3
344(17) 0.003460 288.8 345.2
343(17) 0.003460 288.8 344.3
348(17) 0.003460 288.9 343.4
357(17) 0.003460 288.9 342.6
319(16) 0.00391 288.9 342.0
345(17) 0.003460 288.9 341.5
338(16) 0.00391 288.9 341.0
340(16) 0.00391 288.9 340.7
351(17) 0.003460 288.9 340.5
347(17) 0.003460 289.0 340.4
328(16) 0.00391 289.0 340.4
333(16) 0.00391 289.0 340.6
336(16) 0.00391 289.0 340.8
340(16) 0.00391 289.0 341.1
362(17) 0.003460 289.0 341.5
343(17) 0.003460 289.1 342.0
338(16) 0.00391 289.1 342.6
343(17) 0.003460 289.1 343.2
348(17) 0.003460 289.1 343.9
354(17) 0.003460 289.1 344.7
326(16) 0.00391 289.1 345.6
351(17) 0.003460 289.1 346.5
370(17) 0.003460 289.2 347.4
342(17) 0.003460 289.2 348.4
364(17) 0.003460 289.2 349.4
384(17) 0.003460 289.2 350.5
345(17) 0.003460 289.2 351.5
350(17) 0.003460 289.2 352.6
364(17) 0.003460 289.3 353.6
327(16) 0.00391 289.3 354.6
351(17) 0.003460 289.3 355.5
350(17) 0.003460 289.3 356.4
362(17) 0.003460 289.3 357.2
349(17) 0.003460 289.4 357.8
347(17) 0.003460 289.4 358.3
355(17) 0.003460 289.4 358.7
333(16) 0.00391 289.4 358.9
373(17) 0.003460 289.4 359.0
326(16) 0.00391 289.4 359.0
352(17) 0.003460 289.5 358.7
347(17) 0.003460 289.5 358.4
352(17) 0.003460 289.5 358.0
361(17) 0.003460 289.5 357.4
351(17) 0.003460 289.5 356.8
341(16) 0.00391 289.6 356.2
357(17) 0.003460 289.6 355.5
357(17) 0.003460 289.6 354.8
352(17) 0.003460 289.6 354.1
365(17) 0.003460 289.6 353.4
358(17) 0.003460 289.7 352.7
350(17) 0.003460 289.7 352.1
361(17) 0.003460 289.7 351.5
348(17) 0.003460 289.7 350.9
320(16) 0.00391 289.8 350.4
360(17) 0.003460 289.8 349.9
359(17) 0.003460 289.8 349.4
361(17) 0.003460 289.8 349.0
346(17) 0.003460 289.9 348.6
339(17) 0.003460 289.9 348.2
338(17) 0.003460 289.9 347.8
333(17) 0.003460 289.9 347.5
336(17) 0.003460 290.0 347.2
323(16) 0.00391 290.0 346.9
345(17) 0.003460 290.0 346.6
341(17) 0.003460 290.0 346.4
349(17) 0.003460 290.1 346.2
363(17) 0.003460 290.1 346.1
353(17) 0.003460 290.1 346.0
334(17) 0.003460 290.1 345.9
338(17) 0.003460 290.2 345.9
349(17) 0.003460 290.2 346.0
328(17) 0.003460 290.2 346.0
346(17) 0.003460 290.3 346.2
321(16) 0.00391 290.3 346.4
344(17) 0.003460 290.3 346.6
367(17) 0.003460 290.4 346.9
343(17) 0.003460 290.4 347.2
350(17) 0.003460 290.4 347.5
357(17) 0.003460 290.5 347.8
357(17) 0.003460 290.5 348.2
377(18) 0.003086 290.5 348.5
337(17) 0.003460 290.6 348.9
328(17) 0.003460 290.6 349.2
324(16) 0.00391 290.6 349.5
339(17) 0.003460 290.7 349.7
368(17) 0.003460 290.7 349.9
333(17) 0.003460 290.7 350.0
362(17) 0.003460 290.8 350.1
333(17) 0.003460 290.8 350.1
353(17) 0.003460 290.9 350.0
352(17) 0.003460 290.9 349.8
337(17) 0.003460 290.9 349.6
359(17) 0.003460 291.0 349.3
346(17) 0.003460 291.0 348.9
353(17) 0.003460 291.1 348.5
341(17) 0.003460 291.1 347.9
320(16) 0.00391 291.1 347.4
337(17) 0.003460 291.2 346.7
335(17) 0.003460 291.2 346.1
306(16) 0.00391 291.3 345.3
334(17) 0.003460 291.3 344.6
357(17) 0.003460 291.4 343.8
342(17) 0.003460 291.4 343.0
356(17) 0.003460 291.5 342.2
333(17) 0.003460 291.5 341.3
324(16) 0.00391 291.6 340.5
314(16) 0.00391 291.6 339.7
336(17) 0.003460 291.7 338.8
331(17) 0.003460 291.7 338.0
324(16) 0.00391 291.8 337.2
311(16) 0.00391 291.8 336.4
317(16) 0.00391 291.9 335.6
341(17) 0.003460 292.0 334.9
341(17) 0.003460 292.0 334.2
327(17) 0.003460 292.1 333.5
332(17) 0.003460 292.1 332.8
340(17) 0.003460 292.2 332.2
332(17) 0.003460 292.3 331.6
309(16) 0.00391 292.3 331.1
336(17) 0.003460 292.4 330.6
347(17) 0.003460 292.5 330.1
327(17) 0.003460 292.5 329.7
312(16) 0.00391 292.6 329.3
306(16) 0.00391 292.7 328.9
316(16) 0.00391 292.7 328.6
311(16) 0.00391 292.8 328.3
336(17) 0.003460 292.9 328.0
316(16) 0.00391 292.9 327.8
315(16) 0.00391 293.0 327.6
339(17) 0.003460 293.1 327.5
312(16) 0.00391 293.2 327.3
323(16) 0.00391 293.2 327.2
339(17) 0.003460 293.3 327.2
333(17) 0.003460 293.4 327.2
354(17) 0.003460 293.5 327.2
350(17) 0.003460 293.6 327.2
338(17) 0.003460 293.7 327.3
314(16) 0.00391 293.7 327.4
316(16) 0.00391 293.8 327.6
317(16) 0.00391 293.9 327.8
345(17) 0.003460 294.0 328.0
307(16) 0.00391 294.1 328.3
297(16) 0.00391 294.2 328.6
307(16) 0.00391 294.3 329.0
326(16) 0.00391 294.4 329.4
327(17) 0.003460 294.5 329.9
319(16) 0.00391 294.6 330.4
340(17) 0.003460 294.7 331.0
343(17) 0.003460 294.8 331.6
330(17) 0.003460 294.9 332.3
322(16) 0.00391 295.0 333.0
345(17) 0.003460 295.1 333.8
330(17) 0.003460 295.2 334.6
324(17) 0.003460 295.3 335.5
336(17) 0.003460 295.4 336.4
343(17) 0.003460 295.6 337.4
369(17) 0.003460 295.7 338.4
362(17) 0.003460 295.8 339.5
358(17) 0.003460 295.9 340.7
349(17) 0.003460 296.0 341.9
339(17) 0.003460 296.2 343.1
348(17) 0.003460 296.3 344.4
345(17) 0.003460 296.4 345.8
345(17) 0.003460 296.5 347.2
361(17) 0.003460 296.7 348.7
349(17) 0.003460 296.8 350.2
347(17) 0.003460 296.9 351.7
366(17) 0.003460 297.1 353.3
358(17) 0.003460 297.2 354.9
362(17) 0.003460 297.4 356.5
356(17) 0.003460 297.5 358.2
358(17) 0.003460 297.7 359.9
364(17) 0.003460 297.8 361.6
360(17) 0.003460 298.0 363.3
369(17) 0.003460 298.1 365.0
370(18) 0.003086 298.3 366.7
385(18) 0.003086 298.4 368.3
382(18) 0.003086 298.6 369.9
368(17) 0.003460 298.8 371.5
383(18) 0.003086 298.9 372.9
391(18) 0.003086 299.1 374.3
392(18) 0.003086 299.3 375.6
387(18) 0.003086 299.4 376.8
372(18) 0.003086 299.6 377.8
370(18) 0.003086 299.8 378.8
364(17) 0.003460 300.0 379.6
367(17) 0.003460 300.2 380.2
378(18) 0.003086 300.3 380.8
357(17) 0.003460 300.5 381.1
372(18) 0.003086 300.7 381.4
382(18) 0.003086 300.9 381.5
382(18) 0.003086 301.1 381.5
380(18) 0.003086 301.3 381.4
374(18) 0.003086 301.5 381.1
380(18) 0.003086 301.7 380.8
391(18) 0.003086 301.9 380.4
384(18) 0.003086 302.2 379.9
389(18) 0.003086 302.4 379.3
393(18) 0.003086 302.6 378.7
375(18) 0.003086 302.8 378.0
382(18) 0.003086 303.0 377.3
388(18) 0.003086 303.3 376.5
377(18) 0.003086 303.5 375.7
380(18) 0.003086 303.7 374.9
393(18) 0.003086 304.0 374.1
376(18) 0.003086 304.2 373.2
379(18) 0.003086 304.5 372.4
381(18) 0.003086 304.7 371.5
379(18) 0.003086 305.0 370.7
356(17) 0.003460 305.2 369.9
359(17) 0.003460 305.5 369.0
364(17) 0.003460 305.7 368.2
377(18) 0.003086 306.0 367.4
379(18) 0.003086 306.3 366.6
374(18) 0.003086 306.6 365.9
372(18) 0.003086 306.8 365.2
371(18) 0.003086 307.1 364.5
356(17) 0.003460 307.4 363.8
372(18) 0.003086 307.7 363.2
358(17) 0.003460 308.0 362.7
346(17) 0.003460 308.3 362.2
390(18) 0.003086 308.6 361.7
351(17) 0.003460 308.9 361.3
355(17) 0.003460 309.2 361.0
365(17) 0.003460 309.5 360.7
341(17) 0.003460 309.9 360.4
337(17) 0.003460 310.2 360.3
367(17) 0.003460 310.5 360.1
356(17) 0.003460 310.8 360.1
354(17) 0.003460 311.2 360.1
356(17) 0.003460 311.5 360.1
364(17) 0.003460 311.9 360.2
369(17) 0.003460 312.2 360.4
380(18) 0.003086 312.6 360.6
387(18) 0.003086 312.9 360.9
357(17) 0.003460 313.3 361.2
343(17) 0.003460 313.7 361.6
363(17) 0.003460 314.0 362.0
376(18) 0.003086 314.4 362.5
365(17) 0.003460 314.8 363.0
368(17) 0.003460 315.2 363.6
366(17) 0.003460 315.6 364.2
348(17) 0.003460 316.0 364.8
358(17) 0.003460 316.4 365.5
366(17) 0.003460 316.8 366.2
343(17) 0.003460 317.2 366.9
366(17) 0.003460 317.7 367.7
369(17) 0.003460 318.1 368.5
371(14) 0.00510 318.5 369.4
372(18) 0.003086 319.0 370.2
388(18) 0.003086 319.4 371.2
391(18) 0.003086 319.9 372.1
385(18) 0.003086 320.3 373.1
376(18) 0.003086 320.8 374.1
390(18) 0.003086 321.2 375.1
388(18) 0.003086 321.7 376.2
382(18) 0.003086 322.2 377.3
369(18) 0.003086 322.7 378.5
375(18) 0.003086 323.2 379.7
377(18) 0.003086 323.7 380.9
384(18) 0.003086 324.2 382.2
388(18) 0.003086 324.7 383.5
392(18) 0.003086 325.2 384.8
385(18) 0.003086 325.7 386.2
394(18) 0.003086 326.3 387.6
383(18) 0.003086 326.8 389.0
403(18) 0.003086 327.3 390.4
423(19) 0.002770 327.9 391.9
411(19) 0.002770 328.4 393.4
417(19) 0.002770 329.0 394.8
426(19) 0.002770 329.6 396.3
408(18) 0.003086 330.2 397.8
394(18) 0.003086 330.7 399.3
386(18) 0.003086 331.3 400.7
408(18) 0.003086 331.9 402.2
421(19) 0.002770 332.5 403.6
412(19) 0.002770 333.2 405.0
414(19) 0.002770 333.8 406.3
425(19) 0.002770 334.4 407.6
429(19) 0.002770 335.0 408.9
433(19) 0.002770 335.7 410.1
425(19) 0.002770 336.3 411.3
407(18) 0.003086 337.0 412.4
402(18) 0.003086 337.7 413.4
400(18) 0.003086 338.4 414.4
418(19) 0.002770 339.0 415.4
437(19) 0.002770 339.7 416.3
420(19) 0.002770 340.4 417.2
394(18) 0.003086 341.1 418.0
419(19) 0.002770 341.9 418.7
425(19) 0.002770 342.6 419.4
410(18) 0.003086 343.3 420.1
421(19) 0.002770 344.1 420.8
426(19) 0.002770 344.8 421.4
439(19) 0.002770 345.6 422.0
432(19) 0.002770 346.3 422.6
421(19) 0.002770 347.1 423.1
428(19) 0.002770 347.9 423.6
431(19) 0.002770 348.7 424.2
404(18) 0.003086 349.5 424.7
411(18) 0.003086 350.3 425.2
414(19) 0.002770 351.2 425.7
413(19) 0.002770 352.0 426.3
417(19) 0.002770 352.8 426.8
390(18) 0.003086 353.7 427.3
396(18) 0.003086 354.6 427.9
429(19) 0.002770 355.4 428.4
419(19) 0.002770 356.3 429.0
410(18) 0.003086 357.2 429.6
421(19) 0.002770 358.1 430.2
423(19) 0.002770 359.0 430.9
431(19) 0.002770 360.0 431.5
430(19) 0.002770 360.9 432.2
441(19) 0.002770 361.8 432.9
451(19) 0.002770 362.8 433.6
456(19) 0.002770 363.8 434.3
444(19) 0.002770 364.7 435.0
420(19) 0.002770 365.7 435.8
447(19) 0.002770 366.7 436.5
432(19) 0.002770 367.8 437.3
417(19) 0.002770 368.8 438.1
420(19) 0.002770 369.8 438.9
422(19) . . .
423(19) . . .
419(19) . . .
407(18) . . .
417(19) . . .
419(19) . . .
412(19) . . .
439(19) . . .
440(19) . . .
428(19) . . .
422(19) . . .
420(19) . . .
425(19) . . .
448(19) . . .
464(20) . . .
452(19) . . .
446(19) . . .
427(19) . . .
452(19) . . .
449(19) . . .
445(19) . . .
463(20) . . .
444(19) . . .
471(20) . . .
453(19) . . .
438(19) . . .
462(20) . . .
449(20) . . .
441(20) . . .
462(20) . . .
466(20) . . .
462(20) . . .
453(20) . . .
440(20) . . .
449(20) . . .
464(20) . . .
462(20) . . .
456(20) . . .
449(20) . . .
463(20) . . .
479(20) . . .
435(19) . . .
453(20) . . .
498(21) . . .
480(20) . . .
477(20) . . .
457(20) . . .
458(20) . . .
449(20) . . .
444(20) . . .
448(20) . . .
469(20) . . .
479(20) . . .
463(20) . . .
476(20) . . .
487(20) . . .
462(20) . . .
444(20) . . .
454(20) . . .
458(20) . . .
499(21) . . .
506(21) . . .
500(21) . . .
500(21) . . .
468(20) . . .
498(21) . . .
478(20) . . .
489(20) . . .
473(20) . . .
490(21) . . .
505(21) . . .
487(20) . . .
480(20) . . .
513(21) . . .
497(21) . . .
500(21) . . .
505(21) . . .
533(21) . . .
489(21) . . .
499(21) . . .
510(21) . . .
562(22) . . .
543(21) . . .
508(21) . . .
532(21) . . .
498(21) . . .
514(21) . . .
532(21) . . .
550(22) . . .
526(21) . . .
526(21) . . .
574(22) . . .
576(22) . . .
539(21) . . .
541(21) . . .
540(21) . . .
540(21) . . .
558(22) . . .
555(22) . . .
558(22) . . .
558(22) . . .
553(22) . . .
557(22) . . .
557(22) . . .
607(23) . . .
590(22) . . .
562(22) . . .
570(22) . . .
562(22) . . .
588(22) . . .
559(22) . . .
551(22) . . .
570(22) . . .
580(22) . . .
553(22) . . .
574(22) . . .
575(22) . . .
597(22) . . .
597(22) . . .
602(22) . . .
612(23) . . .
580(22) . . .
577(22) . . .
600(22) . . .
615(23) . . .
591(22) . . .
649(33) . . .
657(34) . . .
604(32) . . .
594(32) . . .
611(32) . . .
619(33) . . .
569(31) . . .
600(32) . . .
563(31) . . .
581(32) . . .
595(32) . . .
621(33) . . .
644(33) . . .
695(34) . . .
587(32) . . .
664(34) . . .
658(34) . . .
666(34) . . .
641(33) . . .
657(34) . . .
617(33) . . .
668(34) . . .
648(33) . . .
656(34) . . .
637(33) . . .
669(34) . . .
639(33) . . .
661(34) . . .
641(33) . . .
671(34) . . .
677(34) . . .
719(35) . . .
657(34) . . .
703(35) . . .
719(35) . . .
714(35) . . .
725(35) . . .
758(36) . . .
691(34) . . .
702(35) . . .
681(34) . . .
762(36) . . .
746(36) . . .
710(35) . . .
697(34) . . .
735(35) . . .
713(35) . . .
730(35) . . .
722(35) . . .
701(35) . . .
701(35) . . .
766(36) . . .
735(35) . . .
722(35) . . .
705(35) . . .
692(34) . . .
747(36) . . .
713(35) . . .
667(34) . . .
764(36) . . .
771(36) . . .
754(36) . . .
765(36) . . .
701(35) . . .
723(35) . . .
726(35) . . .
725(35) . . .
749(36) . . .
766(36) . . .
765(36) . . .
757(36) . . .
747(36) . . .
735(35) . . .
827(37) . . .
762(36) . . .
785(36) . . .
795(37) . . .
762(36) . . .
798(37) . . .
813(37) . . .
785(36) . . .
790(36) . . .
753(36) . . .
762(36) . . .
746(35) . . .
803(37) . . .
816(37) . . .
812(37) . . .
739(35) . . .
820(37) . . .
846(38) . . .
880(38) . . .
852(38) . . .
795(37) . . .
831(37) . . .
815(37) . . .
843(38) . . .
793(36) . . .
800(37) . . .
797(37) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             767
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.066
_reflns_d_resolution_low         12.965
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003002'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_0P5CO2_GOOD_publ

_pd_block_id                     2014-01-16T13:09|0P5CO2_GOOD||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-16T13:09
_audit_update_record             
; 2014-01-16T13:09  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     48
_refine_ls_goodness_of_fit_all   1.14
_refine_ls_number_restraints     3
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.8728(8)
_cell_length_b                   25.8728
_cell_length_c                   6.87004(30)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3982.68(25)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Mg Mg 0.3804(4) 0.3515(4) 0.1382(10) 1.0 Uiso 0.0114(20) 18
O O1 0.32522(30) 0.29556(31) 0.3620(11) 1.0 Uiso 0.0123(13) 18
O O2 0.30284(33) 0.2288(4) 0.5976(10) 1.0 Uiso 0.0123(13) 18
O O3 0.3539(4) 0.2744(4) 0.0023(12) 1.0 Uiso 0.0123(13) 18
C C1 0.31582(32) 0.24659(33) 0.4239(9) 1.0 Uiso 0.0203(6) 18
C C2 0.32894(31) 0.20868(28) 0.2858(9) 1.0 Uiso 0.0203(6) 18
C C3 0.34593(31) 0.22389(34) 0.0919(10) 1.0 Uiso 0.0203(6) 18
C C4 0.35265(34) 0.18251(34) -0.0272(9) 1.0 Uiso 0.0203(6) 18
H H 0.3606(5) 0.1904(5) -0.1737(15) 1.0 Uiso 0.0073(28) 18
O O2b 0.2283(8) 0.7573(8) 0.6018(23) 0.825(7) Uiso 0.097(6) 18
C C2a 0.1773(6) 0.7214(5) 0.6003(17) 0.825(7) Uiso 0.052(4) 18
O O2a 0.1283(4) 0.6856(4) 0.5999(13) 0.825(7) Uiso 0.0114(26) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.82 H Mg O4.65'
_chemical_formula_weight         157.65
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mg Mg 2.938(9) . 103_554 N
Mg Mg 2.938(9) . 202_555 N
Mg O1 2.104(10) . 1_555 N
Mg O1 2.014(11) . 103_554 N
Mg O1 3.078(10) . 202_554 N
Mg O2 2.045(11) . 202_554 N
Mg O3 1.989(10) . 1_555 N
Mg O3 1.991(11) . 202_555 N
Mg C1 3.078(10) . 1_555 N
Mg C1 3.017(12) . 103_554 N
Mg C1 2.880(11) . 202_554 N
Mg C3 2.975(12) . 1_555 N
Mg C3 3.062(11) . 202_555 N
Mg O2a 2.270(12) . 101_544 N
O1 Mg 2.104(10) . 1_555 N
O1 Mg 3.078(10) . 103_555 N
O1 Mg 2.014(11) . 202_555 N
O1 O2 2.222(10) . 1_555 N
O1 C1 1.240(9) . 1_555 N
O1 C2 2.356(10) . 1_555 N
O2 Mg 2.045(11) . 103_555 N
O2 O1 2.222(10) . 1_555 N
O2 C1 1.263(8) . 1_555 N
O2 C2 2.380(10) . 1_555 N
O3 Mg 1.989(10) . 1_555 N
O3 Mg 1.991(11) . 103_554 N
O3 C3 1.363(10) . 1_555 N
O3 C4 2.370(11) . 1_555 N
C1 Mg 3.078(10) . 1_555 N
C1 Mg 2.880(11) . 103_555 N
C1 Mg 3.017(12) . 202_555 N
C1 O1 1.240(9) . 1_555 N
C1 O2 1.263(8) . 1_555 N
C1 C2 1.520(9) . 1_555 N
C2 O1 2.356(10) . 1_555 N
C2 O2 2.380(10) . 1_555 N
C2 C1 1.520(9) . 1_555 N
C2 C3 1.397(8) . 1_555 N
C3 Mg 2.975(12) . 1_555 N
C3 Mg 3.062(11) . 103_554 N
C3 O3 1.363(10) . 1_555 N
C3 C2 1.397(8) . 1_555 N
C3 C4 1.425(10) . 1_555 N
C4 O3 2.370(11) . 1_555 N
C4 C3 1.425(10) . 1_555 N
C4 H 1.027(14) . 1_555 N
H C4 1.027(14) . 1_555 N
O2b C2a 1.174(18) . 1_555 N
O2b O2a 2.311(19) . 1_555 N
C2a O2b 1.174(18) . 1_555 N
C2a O2a 1.137(13) . 1_555 N
O2a Mg 2.270(12) . 201_455 N
O2a O2b 2.311(19) . 1_555 N
O2a C2a 1.137(13) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Mg Mg Mg 114.28(34) 103_554 . 202_555 N
Mg Mg O1 98.4(5) 103_554 . 1_555 N
Mg Mg O1 45.73(26) 103_554 . 103_554 N
Mg Mg O2 84.50(26) 103_554 . 202_554 N
Mg Mg O3 42.4(4) 103_554 . 1_555 N
Mg Mg O3 141.4(5) 103_554 . 202_555 N
Mg Mg O2a 131.1(5) 103_554 . 101_544 N
Mg Mg O1 43.26(23) 202_555 . 1_555 N
Mg Mg O1 74.3(4) 202_555 . 103_554 N
Mg Mg O2 136.5(6) 202_555 . 202_554 N
Mg Mg O3 122.3(5) 202_555 . 1_555 N
Mg Mg O3 42.38(32) 202_555 . 202_555 N
Mg Mg O2a 105.6(4) 202_555 . 101_544 N
O1 Mg O1 84.20(32) 1_555 . 103_554 N
O1 Mg O2 176.8(6) 1_555 . 202_554 N
O1 Mg O3 83.0(5) 1_555 . 1_555 N
O1 Mg O3 80.3(4) 1_555 . 202_555 N
O1 Mg O2a 91.6(5) 1_555 . 101_544 N
O1 Mg O2 98.8(5) 103_554 . 202_554 N
O1 Mg O3 82.6(4) 103_554 . 1_555 N
O1 Mg O3 96.2(5) 103_554 . 202_555 N
O1 Mg O2a 174.0(6) 103_554 . 101_544 N
O2 Mg O3 98.4(4) 202_554 . 1_555 N
O2 Mg O3 98.2(6) 202_554 . 202_555 N
O2 Mg O2a 85.5(4) 202_554 . 101_544 N
O3 Mg O3 163.3(6) 1_555 . 202_555 N
O3 Mg O2a 92.5(5) 1_555 . 101_544 N
O3 Mg O2a 87.4(5) 202_555 . 101_544 N
Mg O1 Mg 91.01(29) 1_555 . 202_555 N
Mg O1 C1 132.3(7) 1_555 . 1_555 N
Mg O1 C1 134.7(7) 202_555 . 1_555 N
Mg O2 C1 119.2(7) 103_555 . 1_555 N
Mg O3 Mg 95.2(5) 1_555 . 103_554 N
Mg O3 C3 124.1(7) 1_555 . 1_555 N
Mg O3 C3 130.9(7) 103_554 . 1_555 N
O1 C1 O2 125.3(8) 1_555 . 1_555 N
O1 C1 C2 116.9(6) 1_555 . 1_555 N
O2 C1 C2 117.3(7) 1_555 . 1_555 N
C1 C2 C3 123.6(7) 1_555 . 1_555 N
O3 C3 C2 125.2(8) 1_555 . 1_555 N
O3 C3 C4 116.4(6) 1_555 . 1_555 N
C2 C3 C4 118.4(7) 1_555 . 1_555 N
C3 C4 H 120.1(9) 1_555 . 1_555 N
O2b C2a O2a 178.5(17) 1_555 . 1_555 N
Mg O2a C2a 131.3(10) 201_455 . 1_555 N

# Powder diffraction data for histogram  7
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_0P5CO2_GOOD_publ    
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        533 Ang3  
RESPONSE: The structure is very porous and was evacuated prior to CO2 dosing. At this level of loading, the pore remains somewhat evacuated.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Mg 18.0 0.5375 International_Tables_Vol_C
O 83.689 0.5805 International_Tables_Vol_C
C 86.844 0.6648 International_Tables_Vol_C
H 18.0 -0.3741 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0223
_pd_proc_ls_prof_wR_factor       0.0273
_pd_proc_ls_prof_wR_expected     0.0241
_refine_ls_R_Fsqd_factor         0.03757

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 10 terms.
 Shifted Chebyshev function of 1st kind
      1:    1434.75     2:   -285.519     3:    197.580     4:   -31.0917    
      5:    58.9667     6:   -24.3611     7:    32.0886     8:   -4.80950    
      9:    20.4751    10:   -7.74563    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  568.556 #2(GV)   = -106.748 #3(GW)   =  109.573
 #4(GP)   =    3.052 #5(LX)   =    1.989 #6(LY)   =   19.044
 #7(S/L)  =   0.0423 #8(H/L)  =   0.0334
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0001 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00010
_pd_proc_info_datetime           2014-01-16T13:09:07
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.524
_pd_proc_2theta_range_max        166.274
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
9460(210) 0.0 2831. .
8940(200) 0.0 2821. .
7980(190) 0.0 2811. .
7320(180) 0.0 2802. .
6860(180) 0.0 2793. .
6480(170) 0.0 2783. .
6090(170) 0.0 2774. .
5790(160) 0.0 2765. .
5620(160) 0.0 2756. .
5150(150) 0.0 2747. .
5190(150) 0.0 2738. .
5090(150) 0.0 2729. .
4980(150) 0.0 2720. .
4580(140) 0.0 2711. .
4690(150) 0.0 2702. .
4600(140) 0.0 2694. .
4520(140) 0.0 2685. .
4370(140) 0.0 2676. .
4520(140) 0.0 2668. .
4390(140) 0.0 2659. .
4480(140) 0.0 2651. .
4210(140) 0.0 2643. .
4120(140) 0.0 2634. .
4290(140) 0.0 2626. .
4210(140) 0.0 2618. .
4480(140) 0.0 2610. .
4160(140) 0.0 2602. .
3940(130) 0.0 2594. .
4170(140) 0.0 2586. .
4080(140) 0.0 2578. .
3950(130) 0.0 2570. .
4140(140) 0.0 2563. .
3850(130) 0.0 2555. .
3800(130) 0.0 2547. .
3800(130) 0.0 2540. .
3690(130) 0.0 2532. .
3560(130) 0.0 2525. .
3370(120) 0.0 2517. .
3380(120) 0.0 2510. .
3250(120) 0.0 2503. .
3180(120) 0.0 2495. .
3250(120) 0.0 2488. .
3210(120) 0.0 2481. .
2980(120) 0.0 2474. .
2990(120) 0.0 2467. .
2970(120) 0.0 2460. .
3080(120) 0.0 2453. .
3030(120) 0.0 2446. .
3110(120) 0.0 2439. .
3030(120) 0.0 2433. .
2950(120) 0.0 2426. .
3080(120) 0.0 2419. .
2850(110) 0.0 2412. .
2600(110) 0.0 2406. .
3020(120) 0.0 2399. .
2750(110) 0.0 2393. .
2740(110) 0.0 2386. .
2880(110) 0.0 2380. .
2610(110) 0.0 2374. .
2790(110) 0.0 2367. .
2850(110) 0.0 2361. .
2660(110) 0.0 2355. .
2780(110) 0.0 2349. .
2770(110) 0.0 2343. .
2530(110) 0.0 2336. .
2750(110) 0.0 2330. .
2670(110) 0.0 2324. .
2360(100) 0.0 2319. .
2380(100) 0.0 2313. .
2390(100) 0.0 2307. .
2260(100) 0.0 2301. .
2500(110) 0.0 2295. .
2370(100) 0.0 2289. .
2320(100) 0.0 2284. .
2350(100) 0.0 2278. .
2420(110) 0.0 2273. .
2480(110) 0.0 2267. .
2300(100) 0.0 2262. .
2240(100) 0.0 2256. .
2330(100) 0.0 2251. .
2020(96) 0.0 2245. .
2190(100) 0.0 2240. .
2200(100) 0.0 2235. .
2260(100) 0.0 2229. .
2320(100) 0.0 2224. .
2065(97) 0.0 2219. .
1984(95) 0.0 2214. .
2141(99) 0.0 2209. .
2210(100) 0.0 2204. .
2119(98) 0.0 2199. .
2137(99) 0.0 2194. .
2190(100) 0.0 2189. .
2200(100) 0.0 2184. .
2280(100) 0.0 2179. .
2132(99) 0.0 2174. .
2190(100) 0.0 2169. .
2155(99) 0.0 2165. .
2200(100) 0.0 2160. .
2114(98) 0.0 2155. .
2047(97) 0.0 2150. .
2275(69) 0.0 2146. .
2410(72) 0.0 2141. .
2278(69) 0.0 2137. .
2311(70) 0.0 2132. .
2252(69) 0.0 2128. .
2225(69) 0.0 2123. .
2092(67) 0.0 2119. .
2165(68) 0.0 2115. .
1944(64) 0.0 2110. .
2141(67) 0.0 2106. .
2132(67) 0.0 2102. .
2065(66) 0.0002296 2097. 2131.
2119(67) 0.0002228 2093. 2128.
1982(65) 0.0002367 2089. 2126.
2106(67) 0.0002228 2085. 2124.
1966(64) 0.0002441 2081. 2123.
2077(66) 0.0002296 2077. 2121.
2128(67) 0.0002228 2073. 2120.
2096(67) 0.0002228 2069. 2119.
2016(65) 0.0002367 2065. 2119.
2149(67) 0.0002228 2061. 2119.
2119(67) 0.0002228 2057. 2120.
2214(68) 0.0002163 2053. 2121.
2162(68) 0.0002163 2049. 2123.
2229(69) 0.0002100 2045. 2126.
2357(71) 0.0001984 2042. 2130.
2450(72) 0.0001929 2038. 2135.
2427(72) 0.0001929 2034. 2144.
2543(73) 0.0001877 2030. 2159.
2613(74) 0.0001826 2027. 2187.
2681(75) 0.0001778 2023. 2239.
2998(80) 0.0001562 2019. 2333.
3153(82) 0.0001487 2016. 2488.
3288(84) 0.0001417 2012. 2716.
3501(86) 0.0001352 2009. 3022.
3802(90) 0.0001235 2005. 3401.
4033(93) 0.0001156 2002. 3845.
4161(94) 0.0001132 1998. 4348.
4760(100) 0.0000980 1995. 4909.
5340(110) 0.0000873 1992. 5535.
5770(110) 0.0000812 1988. 6235.
6500(120) 0.0000718 1985. 7023.
7240(120) 0.0000650 1982. 7920.
8400(130) 0.0000557 1978. 8953.
9530(140) 0.0000489 1975. 10164.
10830(150) 0.0000433 1972. 11617.
12830(170) 0.0000363 1969. 13418.
15640(180) 0.0000299 1965. 15743.
18660(200) 0.0000250 1962. 18844.
23540(230) 0.0000198 1959. 22954.
28940(250) 0.0000161 1956. 27997.
33700(270) 0.0000138 1953. 33158.
37840(290) 0.0000123 1950. 36720.
37740(280) 0.0000124 1947. 36661.
31990(260) 0.0000146 1944. 32048.
24620(230) 0.0000191 1941. 24256.
16290(190) 0.0000289 1938. 16094.
9960(150) 0.0000469 1935. 9710.
6130(110) 0.0000769 1932. 5746.
3982(92) 0.0001181 1929. 3731.
2903(78) 0.0001644 1926. 2857.
2429(72) 0.0001929 1924. 2506.
2124(67) 0.0002228 1921. 2353.
2251(69) 0.0002100 1918. 2268.
2038(66) 0.0002296 1915. 2210.
1954(64) 0.0002441 1912. 2165.
1981(65) 0.0002367 1910. 2128.
1930(64) 0.0002441 1907. 2098.
1917(64) 0.0002441 1904. 2073.
1925(64) 0.0002441 1902. 2052.
2105(67) 0.0002228 1899. 2034.
1995(65) 0.0002367 1897. 2018.
1966(64) 0.0002441 1894. 2004.
1877(63) 0.0002520 1891. 1991.
1867(63) 0.0002520 1889. 1980.
1792(62) 0.0002601 1886. 1970.
1957(64) 0.0002441 1884. 1961.
1980(65) 0.0002367 1881. 1953.
1794(62) 0.0002601 1879. 1945.
1920(64) 0.0002441 1876. 1938.
1782(61) 0.0002687 1874. 1932.
1849(62) 0.0002601 1872. 1925.
1921(64) 0.0002441 1869. 1920.
1753(61) 0.0002687 1867. 1914.
1902(63) 0.0002520 1865. 1909.
1881(63) 0.0002520 1862. 1904.
1820(62) 0.0002601 1860. 1900.
1841(62) 0.0002601 1858. 1895.
1816(62) 0.0002601 1855. 1891.
1830(62) 0.0002601 1853. 1887.
1826(62) 0.0002601 1851. 1883.
1800(62) 0.0002601 1849. 1879.
1880(63) 0.0002520 1847. 1876.
1811(62) 0.0002601 1844. 1872.
1869(63) 0.0002520 1842. 1869.
1894(63) 0.0002520 1840. 1866.
1805(84) 0.0001417 1838. 1863.
1829(85) 0.0001384 1836. 1859.
1835(85) 0.0001384 1834. 1856.
1721(82) 0.0001487 1832. 1854.
1844(62) 0.0002601 1830. 1851.
1904(63) 0.0002520 1828. 1848.
1834(61) 0.0002687 1826. 1845.
1841(62) 0.0002601 1824. 1842.
1807(61) 0.0002687 1822. 1840.
1787(61) 0.0002687 1820. 1837.
1830(61) 0.0002687 1818. 1835.
1754(60) 0.0002778 1816. 1832.
1779(60) 0.0002778 1814. 1830.
1790(61) 0.0002687 1812. 1828.
1798(61) 0.0002687 1810. 1825.
1756(60) 0.0002778 1808. 1823.
1726(60) 0.0002778 1806. 1821.
1793(61) 0.0002687 1805. 1818.
1840(62) 0.0002601 1803. 1816.
1740(60) 0.0002778 1801. 1814.
1817(61) 0.0002687 1799. 1812.
1846(62) 0.0002601 1797. 1810.
1765(60) 0.0002778 1796. 1808.
1791(61) 0.0002687 1794. 1806.
1693(59) 0.0002873 1792. 1804.
1701(59) 0.0002873 1790. 1802.
1743(60) 0.0002778 1789. 1800.
1792(61) 0.0002687 1787. 1798.
1801(61) 0.0002687 1785. 1796.
1760(60) 0.0002778 1784. 1794.
1733(60) 0.0002778 1782. 1793.
1763(60) 0.0002778 1780. 1791.
1771(60) 0.0002778 1779. 1789.
1765(60) 0.0002778 1777. 1787.
1797(61) 0.0002687 1776. 1786.
1801(61) 0.0002687 1774. 1784.
1812(61) 0.0002687 1772. 1782.
1860(62) 0.0002601 1771. 1781.
1812(61) 0.0002687 1769. 1779.
1716(59) 0.0002873 1768. 1777.
1711(59) 0.0002873 1766. 1776.
1788(61) 0.0002687 1765. 1774.
1809(61) 0.0002687 1763. 1773.
1756(60) 0.0002778 1762. 1771.
1752(60) 0.0002778 1760. 1770.
1733(60) 0.0002778 1759. 1769.
1753(60) 0.0002778 1758. 1767.
1776(60) 0.0002778 1756. 1766.
1807(61) 0.0002687 1755. 1764.
1661(58) 0.0002973 1753. 1763.
1812(61) 0.0002687 1752. 1762.
1834(61) 0.0002687 1751. 1760.
1722(59) 0.0002873 1749. 1759.
1656(58) 0.0002973 1748. 1758.
1746(60) 0.0002778 1746. 1757.
1832(61) 0.0002687 1745. 1755.
1699(59) 0.0002873 1744. 1754.
1791(61) 0.0002687 1743. 1753.
1769(60) 0.0002778 1741. 1752.
1768(60) 0.0002778 1740. 1751.
1715(59) 0.0002873 1739. 1750.
1747(60) 0.0002778 1737. 1749.
1768(60) 0.0002778 1736. 1748.
1683(59) 0.0002873 1735. 1747.
1756(60) 0.0002778 1734. 1747.
1733(60) 0.0002778 1732. 1746.
1733(60) 0.0002778 1731. 1745.
1767(60) 0.0002778 1730. 1745.
1749(60) 0.0002778 1729. 1744.
1687(59) 0.0002873 1728. 1744.
1701(59) 0.0002873 1726. 1744.
1773(60) 0.0002778 1725. 1744.
1770(60) 0.0002778 1724. 1744.
1794(61) 0.0002687 1723. 1745.
1812(61) 0.0002687 1722. 1746.
1784(61) 0.0002687 1721. 1747.
1845(62) 0.0002601 1720. 1750.
1828(61) 0.0002687 1718. 1753.
1769(60) 0.0002778 1717. 1760.
1782(61) 0.0002687 1716. 1774.
1883(62) 0.0002601 1715. 1798.
1831(61) 0.0002687 1714. 1840.
1930(63) 0.0002520 1713. 1905.
2061(65) 0.0002367 1712. 2000.
2191(67) 0.0002228 1711. 2129.
2247(68) 0.0002163 1710. 2298.
2430(71) 0.0001984 1709. 2520.
2733(76) 0.0001731 1708. 2814.
3067(80) 0.0001562 1707. 3206.
3761(89) 0.0001262 1706. 3710.
4181(94) 0.0001132 1705. 4288.
4730(100) 0.0001000 1704. 4820.
4960(100) 0.0000961 1703. 5112.
4790(100) 0.0000980 1702. 4985.
4098(93) 0.0001156 1701. 4425.
3306(83) 0.0001452 1700. 3640.
2683(75) 0.0001778 1699. 2898.
2232(68) 0.0002163 1698. 2355.
1993(64) 0.0002441 1697. 2031.
1811(61) 0.0002687 1696. 1869.
1786(88) 0.0001291 1695. 1797.
1810(60) 0.0002778 1694. 1766.
1743(59) 0.0002873 1693. 1751.
1757(59) 0.0002873 1693. 1742.
1844(61) 0.0002687 1692. 1735.
1734(59) 0.0002873 1691. 1729.
1714(58) 0.0002973 1690. 1725.
1753(59) 0.0002873 1689. 1721.
1691(58) 0.0002973 1688. 1718.
1746(59) 0.0002873 1687. 1716.
1754(59) 0.0002873 1686. 1714.
1783(60) 0.0002778 1686. 1712.
1819(60) 0.0002778 1685. 1711.
1807(60) 0.0002778 1684. 1710.
1676(58) 0.0002973 1683. 1709.
1725(58) 0.0002973 1682. 1709.
1775(59) 0.0002873 1681. 1709.
1796(60) 0.0002778 1681. 1709.
1811(60) 0.0002778 1680. 1709.
1748(59) 0.0002873 1679. 1710.
1718(58) 0.0002973 1678. 1712.
1744(59) 0.0002873 1677. 1714.
1751(59) 0.0002873 1677. 1718.
1731(59) 0.0002873 1676. 1724.
1734(59) 0.0002873 1675. 1735.
1803(60) 0.0002778 1674. 1755.
1888(61) 0.0002687 1674. 1792.
1828(60) 0.0002778 1673. 1852.
2046(64) 0.0002441 1672. 1947.
2103(65) 0.0002367 1671. 2085.
2191(66) 0.0002296 1671. 2278.
2513(71) 0.0001984 1670. 2545.
2929(77) 0.0001687 1669. 2910.
3311(82) 0.0001487 1668. 3386.
3894(89) 0.0001262 1668. 3953.
4597(97) 0.0001063 1667. 4515.
4940(100) 0.0001000 1666. 4907.
4920(100) 0.0001000 1666. 4954.
4551(96) 0.0001085 1665. 4603.
3815(88) 0.0001291 1664. 4010.
3189(80) 0.0001562 1663. 3415.
2851(76) 0.0001731 1663. 2965.
2664(73) 0.0001877 1662. 2669.
2532(71) 0.0001984 1661. 2457.
2252(67) 0.0002228 1661. 2266.
2048(64) 0.0002441 1660. 2085.
1979(63) 0.0002520 1659. 1934.
1963(63) 0.0002520 1659. 1827.
1781(59) 0.0002873 1658. 1762.
1691(58) 0.0002973 1657. 1728.
1614(57) 0.0003078 1657. 1710.
1680(58) 0.0002973 1656. 1701.
1763(59) 0.0002873 1656. 1695.
1712(58) 0.0002973 1655. 1691.
1658(57) 0.0003078 1654. 1688.
1730(59) 0.0002873 1654. 1685.
1761(59) 0.0002873 1653. 1683.
1664(57) 0.0003078 1652. 1682.
1696(58) 0.0002973 1652. 1680.
1725(59) 0.0002873 1651. 1679.
1755(59) 0.0002873 1651. 1679.
1675(58) 0.0002973 1650. 1679.
1644(57) 0.0003078 1649. 1679.
1689(58) 0.0002973 1649. 1679.
1712(58) 0.0002973 1648. 1680.
1725(58) 0.0002973 1648. 1682.
1681(58) 0.0002973 1647. 1684.
1746(59) 0.0002873 1646. 1687.
1662(57) 0.0003078 1646. 1693.
1766(59) 0.0002873 1645. 1701.
1754(59) 0.0002873 1645. 1718.
1759(59) 0.0002873 1644. 1747.
1880(61) 0.0002687 1644. 1800.
1857(61) 0.0002687 1643. 1889.
2070(64) 0.0002441 1643. 2029.
2288(68) 0.0002163 1642. 2239.
2506(71) 0.0001984 1641. 2540.
3126(79) 0.0001602 1641. 2954.
3581(85) 0.0001384 1640. 3482.
4238(93) 0.0001156 1640. 4074.
4910(100) 0.0001000 1639. 4602.
5120(100) 0.0000961 1639. 4880.
4880(100) 0.0001000 1638. 4746.
4401(94) 0.0001132 1638. 4209.
3392(83) 0.0001452 1637. 3475.
2816(75) 0.0001778 1637. 2787.
2174(66) 0.0002296 1636. 2280.
1944(62) 0.0002601 1636. 1973.
1837(60) 0.0002778 1635. 1815.
1717(58) 0.0002973 1635. 1742.
1667(57) 0.0003078 1634. 1709.
1669(58) 0.0002973 1634. 1693.
1801(60) 0.0002778 1633. 1683.
1686(58) 0.0002973 1632. 1675.
1686(58) 0.0002973 1632. 1670.
1704(58) 0.0002973 1631. 1665.
1715(58) 0.0002973 1631. 1661.
1698(58) 0.0002973 1630. 1658.
1655(57) 0.0003078 1630. 1655.
1610(56) 0.0003189 1630. 1653.
1710(55) 0.0003306 1629. 1651.
1785(57) 0.0003078 1629. 1649.
1714(55) 0.0003306 1628. 1647.
1701(55) 0.0003306 1628. 1646.
1581(53) 0.000356 1627. 1645.
1711(55) 0.0003306 1627. 1644.
1668(55) 0.0003306 1626. 1643.
1662(55) 0.0003306 1626. 1643.
1734(56) 0.0003189 1625. 1642.
1642(54) 0.0003429 1625. 1642.
1637(54) 0.0003429 1624. 1643.
1665(55) 0.0003306 1624. 1645.
1673(55) 0.0003306 1623. 1649.
1577(53) 0.000356 1623. 1656.
1636(54) 0.0003429 1622. 1669.
1633(54) 0.0003429 1622. 1692.
1703(55) 0.0003306 1621. 1726.
1793(57) 0.0003078 1621. 1777.
1877(58) 0.0002973 1621. 1846.
1933(59) 0.0002873 1620. 1928.
1980(60) 0.0002778 1620. 2011.
2056(61) 0.0002687 1619. 2070.
1976(60) 0.0002778 1619. 2079.
2043(61) 0.0002687 1618. 2028.
1840(58) 0.0002973 1618. 1934.
1821(57) 0.0003078 1617. 1832.
1769(56) 0.0003189 1617. 1748.
1714(56) 0.0003189 1617. 1692.
1682(55) 0.0003306 1616. 1660.
1587(53) 0.000356 1616. 1645.
1547(53) 0.000356 1615. 1638.
1668(55) 0.0003306 1615. 1634.
1693(55) 0.0003306 1614. 1632.
1597(54) 0.0003429 1614. 1631.
1591(53) 0.000356 1613. 1630.
1645(54) 0.0003429 1613. 1629.
1641(54) 0.0003429 1613. 1629.
1632(54) 0.0003429 1612. 1628.
1643(54) 0.0003429 1612. 1628.
1686(55) 0.0003306 1611. 1628.
1730(56) 0.0003189 1611. 1628.
1704(55) 0.0003306 1610. 1629.
1646(54) 0.0003429 1610. 1629.
1660(55) 0.0003306 1610. 1630.
1663(55) 0.0003306 1609. 1631.
1656(55) 0.0003306 1609. 1632.
1719(56) 0.0003189 1608. 1634.
1754(56) 0.0003189 1608. 1636.
1669(55) 0.0003306 1608. 1638.
1607(54) 0.0003429 1607. 1641.
1634(54) 0.0003429 1607. 1646.
1665(55) 0.0003306 1606. 1652.
1699(55) 0.0003306 1606. 1661.
1682(55) 0.0003306 1605. 1678.
1733(56) 0.0003189 1605. 1709.
1807(57) 0.0003078 1605. 1765.
1965(60) 0.0002778 1604. 1864.
2121(62) 0.0002601 1604. 2031.
2454(67) 0.0002228 1603. 2293.
2672(70) 0.0002041 1603. 2672.
3153(76) 0.0001731 1603. 3167.
3808(83) 0.0001452 1602. 3725.
4173(87) 0.0001321 1602. 4226.
4359(89) 0.0001262 1601. 4502.
4287(89) 0.0001262 1601. 4412.
3887(84) 0.0001417 1601. 3959.
3294(77) 0.0001687 1600. 3321.
2786(71) 0.0001984 1600. 2707.
2294(64) 0.0002441 1599. 2241.
1969(60) 0.0002778 1599. 1948.
1807(57) 0.0003078 1599. 1790.
1707(55) 0.0003306 1598. 1714.
1697(55) 0.0003306 1598. 1679.
1682(55) 0.0003306 1597. 1662.
1694(55) 0.0003306 1597. 1651.
1654(55) 0.0003306 1597. 1645.
1722(56) 0.0003189 1596. 1639.
1654(54) 0.0003429 1596. 1636.
1651(54) 0.0003429 1595. 1633.
1668(55) 0.0003306 1595. 1631.
1602(54) 0.0003429 1595. 1630.
1619(54) 0.0003429 1594. 1629.
1624(54) 0.0003429 1594. 1630.
1644(54) 0.0003429 1593. 1633.
1621(54) 0.0003429 1593. 1639.
1753(56) 0.0003189 1593. 1652.
1742(56) 0.0003189 1592. 1677.
1745(56) 0.0003189 1592. 1721.
1886(58) 0.0002973 1591. 1796.
1886(58) 0.0002973 1591. 1912.
2030(61) 0.0002687 1591. 2073.
2244(64) 0.0002441 1590. 2268.
2480(67) 0.0002228 1590. 2464.
2654(69) 0.0002100 1589. 2606.
2750(71) 0.0001984 1589. 2635.
2642(69) 0.0002100 1589. 2527.
2411(66) 0.0002296 1588. 2320.
2077(61) 0.0002687 1588. 2092.
1944(59) 0.0002873 1587. 1900.
1791(57) 0.0003078 1587. 1768.
1685(55) 0.0003306 1587. 1691.
1600(54) 0.0003429 1586. 1652.
1592(53) 0.000356 1586. 1633.
1577(53) 0.000356 1585. 1625.
1618(54) 0.0003429 1585. 1620.
1643(54) 0.0003429 1585. 1618.
1576(53) 0.000356 1584. 1617.
1542(53) 0.000356 1584. 1616.
1536(52) 0.000370 1584. 1616.
1509(52) 0.000370 1583. 1616.
1571(53) 0.000356 1583. 1617.
1604(54) 0.0003429 1582. 1619.
1650(54) 0.0003429 1582. 1621.
1606(54) 0.0003429 1582. 1624.
1586(53) 0.000356 1581. 1629.
1563(53) 0.000356 1581. 1636.
1677(55) 0.0003306 1580. 1648.
1644(54) 0.0003429 1580. 1670.
1756(56) 0.0003189 1580. 1709.
1807(57) 0.0003078 1579. 1784.
1908(59) 0.0002873 1579. 1917.
2093(61) 0.0002687 1578. 2138.
2480(67) 0.0002228 1578. 2474.
2767(71) 0.0001984 1578. 2930.
3332(78) 0.0001644 1577. 3462.
3850(84) 0.0001417 1577. 3965.
4259(88) 0.0001291 1576. 4288.
4356(89) 0.0001262 1576. 4293.
3911(84) 0.0001417 1576. 3956.
3377(78) 0.0001644 1575. 3414.
2882(72) 0.0001929 1575. 2852.
2296(64) 0.0002441 1575. 2390.
1943(59) 0.0002873 1574. 2066.
1844(58) 0.0002973 1574. 1865.
1746(56) 0.0003189 1573. 1750.
1687(55) 0.0003306 1573. 1688.
1624(54) 0.0003429 1573. 1654.
1617(54) 0.0003429 1572. 1635.
1697(55) 0.0003306 1572. 1623.
1612(54) 0.0003429 1571. 1615.
1652(54) 0.0003429 1571. 1609.
1579(53) 0.000356 1571. 1605.
1591(53) 0.000356 1570. 1601.
1594(54) 0.0003429 1570. 1599.
1581(53) 0.000356 1569. 1596.
1656(55) 0.0003306 1569. 1595.
1549(53) 0.000356 1569. 1593.
1594(54) 0.0003429 1568. 1593.
1605(54) 0.0003429 1568. 1593.
1622(54) 0.0003429 1567. 1596.
1634(54) 0.0003429 1567. 1602.
1612(54) 0.0003429 1567. 1614.
1666(55) 0.0003306 1566. 1636.
1733(56) 0.0003189 1566. 1670.
1679(55) 0.0003306 1566. 1717.
1691(55) 0.0003306 1565. 1772.
1772(56) 0.0003189 1565. 1824.
1900(59) 0.0002873 1564. 1856.
1883(58) 0.0002973 1564. 1855.
1766(56) 0.0003189 1564. 1818.
1717(56) 0.0003189 1563. 1758.
1626(54) 0.0003429 1563. 1697.
1681(55) 0.0003306 1562. 1648.
1644(54) 0.0003429 1562. 1614.
1570(53) 0.000356 1562. 1594.
1619(54) 0.0003429 1561. 1584.
1580(53) 0.000356 1561. 1578.
1505(52) 0.000370 1560. 1575.
1599(54) 0.0003429 1560. 1574.
1632(54) 0.0003429 1560. 1572.
1650(54) 0.0003429 1559. 1571.
1584(53) 0.000356 1559. 1570.
1577(53) 0.000356 1558. 1569.
1559(53) 0.000356 1558. 1568.
1596(54) 0.0003429 1558. 1568.
1627(54) 0.0003429 1557. 1567.
1626(54) 0.0003429 1557. 1567.
1631(54) 0.0003429 1556. 1566.
1647(54) 0.0003429 1556. 1565.
1600(54) 0.0003429 1556. 1565.
1657(55) 0.0003306 1555. 1564.
1580(53) 0.000356 1555. 1564.
1591(53) 0.000356 1554. 1564.
1598(54) 0.0003429 1554. 1563.
1531(52) 0.000370 1554. 1563.
1540(53) 0.000356 1553. 1563.
1546(53) 0.000356 1553. 1562.
1565(53) 0.000356 1552. 1562.
1561(53) 0.000356 1552. 1562.
1584(53) 0.000356 1552. 1561.
1493(52) 0.000370 1551. 1561.
1499(52) 0.000370 1551. 1561.
1584(53) 0.000356 1550. 1561.
1551(53) 0.000356 1550. 1561.
1558(53) 0.000356 1550. 1560.
1546(53) 0.000356 1549. 1560.
1528(52) 0.000370 1549. 1560.
1537(53) 0.000356 1548. 1560.
1535(52) 0.000370 1548. 1560.
1512(52) 0.000370 1548. 1560.
1484(50) 0.000400 1547. 1561.
1525(51) 0.000384 1547. 1561.
1553(51) 0.000384 1546. 1561.
1593(52) 0.000370 1546. 1562.
1573(51) 0.000384 1546. 1563.
1519(51) 0.000384 1545. 1565.
1589(52) 0.000370 1545. 1567.
1481(50) 0.000400 1544. 1571.
1566(51) 0.000384 1544. 1578.
1570(51) 0.000384 1544. 1592.
1649(53) 0.000356 1543. 1616.
1704(54) 0.0003429 1543. 1653.
1775(55) 0.0003306 1542. 1703.
1802(55) 0.0003306 1542. 1764.
1870(56) 0.0003189 1542. 1826.
1880(56) 0.0003189 1541. 1873.
1877(56) 0.0003189 1541. 1890.
1856(56) 0.0003189 1540. 1875.
1853(56) 0.0003189 1540. 1834.
1849(56) 0.0003189 1540. 1782.
1795(55) 0.0003306 1539. 1727.
1755(54) 0.0003429 1539. 1679.
1626(52) 0.000370 1538. 1640.
1631(52) 0.000370 1538. 1614.
1574(51) 0.000384 1538. 1597.
1578(51) 0.000384 1537. 1589.
1681(53) 0.000356 1537. 1586.
1568(51) 0.000384 1536. 1586.
1556(51) 0.000384 1536. 1588.
1569(51) 0.000384 1536. 1591.
1604(52) 0.000370 1535. 1596.
1640(53) 0.000356 1535. 1603.
1606(52) 0.000370 1534. 1612.
1632(52) 0.000370 1534. 1626.
1649(53) 0.000356 1534. 1648.
1705(54) 0.0003429 1533. 1686.
1825(55) 0.0003306 1533. 1755.
2008(58) 0.0002973 1532. 1875.
2230(61) 0.0002687 1532. 2073.
2532(66) 0.0002296 1532. 2380.
2832(69) 0.0002100 1531. 2813.
3356(75) 0.0001778 1531. 3363.
4010(83) 0.0001452 1530. 3986.
4524(88) 0.0001291 1530. 4592.
4971(92) 0.0001181 1529. 5067.
5181(94) 0.0001132 1529. 5307.
5066(93) 0.0001156 1529. 5230.
4673(89) 0.0001262 1528. 4806.
3960(82) 0.0001487 1528. 4132.
3250(74) 0.0001826 1527. 3397.
2649(67) 0.0002228 1527. 2758.
2296(62) 0.0002601 1527. 2286.
2104(60) 0.0002778 1526. 1985.
1881(56) 0.0003189 1526. 1814.
1831(56) 0.0003189 1525. 1727.
1801(55) 0.0003306 1525. 1685.
1755(54) 0.0003429 1525. 1665.
1674(53) 0.000356 1524. 1657.
1605(52) 0.000370 1524. 1657.
1648(53) 0.000356 1523. 1666.
1761(54) 0.0003429 1523. 1690.
1724(54) 0.0003429 1523. 1741.
1809(55) 0.0003306 1522. 1843.
2012(58) 0.0002973 1522. 2029.
2259(62) 0.0002601 1521. 2338.
2766(68) 0.0002163 1521. 2792.
3342(75) 0.0001778 1520. 3373.
3985(82) 0.0001487 1520. 3997.
4548(88) 0.0001291 1520. 4512.
4856(91) 0.0001208 1519. 4743.
4666(89) 0.0001262 1519. 4580.
4029(83) 0.0001452 1518. 4076.
3236(74) 0.0001826 1518. 3422.
2662(67) 0.0002228 1518. 2801.
2188(61) 0.0002687 1517. 2315.
1913(57) 0.0003078 1517. 1991.
1764(55) 0.0003306 1516. 1802.
1698(53) 0.000356 1516. 1705.
1664(53) 0.000356 1516. 1661.
1584(52) 0.000370 1515. 1648.
1564(51) 0.000384 1515. 1657.
1599(52) 0.000370 1514. 1684.
1619(52) 0.000370 1514. 1727.
1726(54) 0.0003429 1514. 1780.
1774(55) 0.0003306 1513. 1828.
1772(55) 0.0003306 1513. 1857.
1816(55) 0.0003306 1512. 1851.
1783(55) 0.0003306 1512. 1811.
1753(54) 0.0003429 1511. 1749.
1714(54) 0.0003429 1511. 1686.
1665(53) 0.000356 1511. 1633.
1638(53) 0.000356 1510. 1595.
1585(52) 0.000370 1510. 1571.
1586(52) 0.000370 1509. 1558.
1580(52) 0.000370 1509. 1551.
1518(50) 0.000400 1509. 1547.
1539(51) 0.000384 1508. 1545.
1576(51) 0.000384 1508. 1544.
1538(51) 0.000384 1507. 1543.
1620(52) 0.000370 1507. 1544.
1554(40) 0.000625 1507. 1545.
1599(48) 0.000434 1506. 1548.
1633(49) 0.000416 1506. 1555.
1565(48) 0.000434 1505. 1568.
1563(48) 0.000434 1505. 1591.
1654(49) 0.000416 1505. 1631.
1715(50) 0.000400 1504. 1692.
1762(51) 0.000384 1504. 1774.
1834(52) 0.000370 1503. 1868.
1944(53) 0.000356 1503. 1957.
2029(54) 0.0003429 1503. 2017.
2134(56) 0.0003189 1502. 2031.
2080(55) 0.0003306 1502. 2003.
1957(53) 0.000356 1501. 1965.
1879(52) 0.000370 1501. 1957.
1984(54) 0.0003429 1500. 2008.
2122(56) 0.0003189 1500. 2124.
2254(57) 0.0003078 1500. 2285.
2441(60) 0.0002778 1499. 2445.
2555(61) 0.0002687 1499. 2545.
2489(60) 0.0002778 1498. 2540.
2280(58) 0.0002973 1498. 2424.
2226(57) 0.0003078 1498. 2241.
1930(53) 0.000356 1497. 2044.
1764(51) 0.000384 1497. 1871.
1657(49) 0.000416 1496. 1740.
1626(49) 0.000416 1496. 1653.
1569(48) 0.000434 1496. 1602.
1510(47) 0.000453 1495. 1577.
1507(47) 0.000453 1495. 1569.
1564(48) 0.000434 1494. 1573.
1613(48) 0.000434 1494. 1588.
1621(49) 0.000416 1494. 1608.
1592(48) 0.000434 1493. 1630.
1613(48) 0.000434 1493. 1645.
1674(49) 0.000416 1492. 1648.
1674(49) 0.000416 1492. 1635.
1638(49) 0.000416 1492. 1611.
1590(48) 0.000434 1491. 1583.
1545(47) 0.000453 1491. 1558.
1567(48) 0.000434 1490. 1539.
1498(47) 0.000453 1490. 1526.
1518(47) 0.000453 1490. 1518.
1484(46) 0.000473 1489. 1513.
1496(47) 0.000453 1489. 1511.
1574(48) 0.000434 1488. 1509.
1540(47) 0.000453 1488. 1508.
1578(48) 0.000434 1488. 1507.
1461(46) 0.000473 1487. 1507.
1476(46) 0.000473 1487. 1506.
1530(47) 0.000453 1486. 1506.
1502(47) 0.000453 1486. 1506.
1462(46) 0.000473 1486. 1506.
1494(47) 0.000453 1485. 1506.
1518(47) 0.000453 1485. 1506.
1543(47) 0.000453 1484. 1507.
1600(48) 0.000434 1484. 1508.
1480(46) 0.000473 1484. 1510.
1507(47) 0.000453 1483. 1513.
1598(48) 0.000434 1483. 1519.
1569(48) 0.000434 1482. 1529.
1493(47) 0.000453 1482. 1546.
1570(48) 0.000434 1482. 1573.
1608(48) 0.000434 1481. 1609.
1631(49) 0.000416 1481. 1654.
1691(50) 0.000400 1480. 1698.
1661(49) 0.000416 1480. 1732.
1680(49) 0.000416 1480. 1743.
1639(49) 0.000416 1479. 1729.
1596(48) 0.000434 1479. 1694.
1546(47) 0.000453 1478. 1653.
1598(48) 0.000434 1478. 1618.
1529(47) 0.000453 1478. 1596.
1608(48) 0.000434 1477. 1593.
1642(49) 0.000416 1477. 1613.
1618(48) 0.000434 1476. 1665.
1716(50) 0.000400 1476. 1759.
1821(51) 0.000384 1476. 1901.
2067(55) 0.0003306 1475. 2091.
2267(57) 0.0003078 1475. 2306.
2636(62) 0.0002601 1475. 2504.
2760(63) 0.0002520 1474. 2632.
2755(63) 0.0002520 1474. 2643.
2523(61) 0.0002687 1473. 2537.
2360(59) 0.0002873 1473. 2368.
2234(57) 0.0003078 1473. 2208.
2143(56) 0.0003189 1472. 2119.
2193(56) 0.0003189 1472. 2143.
2370(59) 0.0002873 1471. 2295.
2642(62) 0.0002601 1471. 2561.
2884(65) 0.0002367 1471. 2890.
3150(68) 0.0002163 1470. 3201.
3326(70) 0.0002041 1470. 3392.
3362(70) 0.0002041 1470. 3382.
3043(66) 0.0002296 1469. 3167.
2754(63) 0.0002520 1469. 2825.
2463(60) 0.0002778 1468. 2458.
2141(56) 0.0003189 1468. 2141.
1945(53) 0.000356 1468. 1907.
1741(50) 0.000400 1467. 1757.
1653(46) 0.000473 1467. 1675.
1693(47) 0.000453 1466. 1639.
1656(47) 0.000453 1466. 1628.
1661(47) 0.000453 1466. 1630.
1611(46) 0.000473 1465. 1637.
1656(47) 0.000453 1465. 1649.
1704(47) 0.000453 1465. 1672.
1702(47) 0.000453 1464. 1714.
1785(48) 0.000434 1464. 1781.
1837(49) 0.000416 1463. 1872.
2023(51) 0.000384 1463. 1971.
2052(52) 0.000370 1463. 2053.
2042(52) 0.000370 1462. 2090.
2048(52) 0.000370 1462. 2064.
2054(52) 0.000370 1462. 1984.
1845(49) 0.000416 1461. 1877.
1684(47) 0.000453 1461. 1773.
1727(47) 0.000453 1460. 1691.
1622(46) 0.000473 1460. 1640.
1629(46) 0.000473 1460. 1623.
1637(46) 0.000473 1459. 1638.
1697(47) 0.000453 1459. 1685.
1816(49) 0.000416 1459. 1763.
1913(50) 0.000400 1458. 1865.
2038(52) 0.000370 1458. 1978.
2278(55) 0.0003306 1457. 2082.
2294(55) 0.0003306 1457. 2161.
2330(55) 0.0003306 1457. 2211.
2367(56) 0.0003189 1456. 2258.
2337(55) 0.0003306 1456. 2348.
2540(58) 0.0002973 1456. 2515.
2777(60) 0.0002778 1455. 2762.
3068(63) 0.0002520 1455. 3051.
3318(66) 0.0002296 1455. 3304.
3399(67) 0.0002228 1454. 3432.
3257(65) 0.0002367 1454. 3375.
3087(63) 0.0002520 1453. 3149.
2756(60) 0.0002778 1453. 2826.
2421(56) 0.0003189 1453. 2481.
2134(53) 0.000356 1452. 2172.
1904(50) 0.000400 1452. 1930.
1761(48) 0.000434 1452. 1760.
1675(47) 0.000453 1451. 1651.
1648(46) 0.000473 1451. 1585.
1552(45) 0.000494 1451. 1547.
1574(45) 0.000494 1450. 1525.
1600(46) 0.000473 1450. 1511.
1488(44) 0.000517 1449. 1502.
1470(44) 0.000517 1449. 1495.
1458(44) 0.000517 1449. 1490.
1483(44) 0.000517 1448. 1486.
1413(43) 0.000541 1448. 1482.
1489(44) 0.000517 1448. 1479.
1452(44) 0.000517 1447. 1476.
1459(44) 0.000517 1447. 1474.
1441(43) 0.000541 1447. 1472.
1421(43) 0.000541 1446. 1470.
1465(44) 0.000517 1446. 1469.
1404(43) 0.000541 1446. 1467.
1426(43) 0.000541 1445. 1466.
1458(44) 0.000517 1445. 1465.
1449(44) 0.000517 1445. 1464.
1471(44) 0.000517 1444. 1464.
1430(43) 0.000541 1444. 1464.
1433(43) 0.000541 1444. 1464.
1563(45) 0.000494 1443. 1465.
1448(44) 0.000517 1443. 1466.
1415(43) 0.000541 1442. 1467.
1482(44) 0.000517 1442. 1467.
1457(44) 0.000517 1442. 1467.
1453(44) 0.000517 1441. 1467.
1430(43) 0.000541 1441. 1465.
1455(44) 0.000517 1441. 1463.
1515(45) 0.000494 1440. 1462.
1404(43) 0.000541 1440. 1461.
1472(44) 0.000517 1440. 1460.
1497(44) 0.000517 1439. 1460.
1417(43) 0.000541 1439. 1461.
1468(44) 0.000517 1439. 1463.
1516(45) 0.000494 1438. 1465.
1527(45) 0.000494 1438. 1469.
1471(44) 0.000517 1438. 1477.
1478(44) 0.000517 1437. 1491.
1507(44) 0.000517 1437. 1515.
1501(44) 0.000517 1437. 1554.
1600(46) 0.000473 1436. 1609.
1686(47) 0.000453 1436. 1680.
1752(48) 0.000434 1436. 1761.
1865(49) 0.000416 1435. 1839.
1852(49) 0.000416 1435. 1894.
1855(49) 0.000416 1435. 1914.
1781(48) 0.000434 1434. 1897.
1782(48) 0.000434 1434. 1858.
1813(49) 0.000416 1434. 1820.
1686(47) 0.000453 1433. 1795.
1677(47) 0.000453 1433. 1786.
1672(47) 0.000453 1433. 1785.
1675(47) 0.000453 1432. 1776.
1661(47) 0.000453 1432. 1749.
1646(46) 0.000473 1432. 1703.
1587(43) 0.000541 1431. 1649.
1591(43) 0.000541 1431. 1597.
1506(42) 0.000567 1431. 1555.
1501(42) 0.000567 1430. 1528.
1512(42) 0.000567 1430. 1518.
1515(42) 0.000567 1430. 1523.
1527(42) 0.000567 1430. 1540.
1565(43) 0.000541 1429. 1566.
1641(44) 0.000517 1429. 1595.
1694(44) 0.000517 1429. 1619.
1696(44) 0.000517 1428. 1630.
1684(44) 0.000517 1428. 1625.
1649(44) 0.000517 1428. 1605.
1596(43) 0.000541 1427. 1579.
1582(43) 0.000541 1427. 1556.
1593(43) 0.000541 1427. 1539.
1530(42) 0.000567 1426. 1531.
1504(42) 0.000567 1426. 1529.
1496(42) 0.000567 1426. 1530.
1485(42) 0.000567 1425. 1529.
1467(41) 0.000595 1425. 1524.
1492(42) 0.000567 1425. 1514.
1475(42) 0.000567 1425. 1500.
1467(41) 0.000595 1424. 1486.
1413(41) 0.000595 1424. 1473.
1441(41) 0.000595 1424. 1464.
1443(41) 0.000595 1423. 1457.
1419(41) 0.000595 1423. 1454.
1432(41) 0.000595 1423. 1454.
1443(41) 0.000595 1422. 1458.
1450(41) 0.000595 1422. 1466.
1467(41) 0.000595 1422. 1481.
1500(42) 0.000567 1421. 1504.
1566(43) 0.000541 1421. 1537.
1539(42) 0.000567 1421. 1577.
1572(43) 0.000541 1421. 1621.
1664(44) 0.000517 1420. 1659.
1705(45) 0.000494 1420. 1682.
1674(44) 0.000517 1420. 1681.
1640(44) 0.000517 1419. 1658.
1612(43) 0.000541 1419. 1621.
1591(43) 0.000541 1419. 1582.
1540(42) 0.000567 1418. 1549.
1497(42) 0.000567 1418. 1530.
1532(42) 0.000567 1418. 1526.
1558(43) 0.000541 1418. 1539.
1620(43) 0.000541 1417. 1566.
1644(44) 0.000517 1417. 1603.
1590(43) 0.000541 1417. 1643.
1674(44) 0.000517 1416. 1676.
1767(45) 0.000494 1416. 1695.
1765(45) 0.000494 1416. 1697.
1749(45) 0.000494 1416. 1690.
1704(45) 0.000494 1415. 1687.
1713(45) 0.000494 1415. 1704.
1765(45) 0.000494 1415. 1747.
1842(46) 0.000473 1414. 1817.
1839(46) 0.000473 1414. 1903.
1929(47) 0.000453 1414. 1983.
1997(48) 0.000434 1414. 2031.
1963(48) 0.000434 1413. 2028.
1926(47) 0.000453 1413. 1971.
1846(46) 0.000473 1413. 1878.
1729(45) 0.000494 1412. 1774.
1646(44) 0.000517 1412. 1678.
1572(43) 0.000541 1412. 1601.
1520(42) 0.000567 1412. 1548.
1506(42) 0.000567 1411. 1516.
1462(41) 0.000595 1411. 1504.
1538(42) 0.000567 1411. 1508.
1512(42) 0.000567 1410. 1530.
1526(42) 0.000567 1410. 1571.
1527(42) 0.000567 1410. 1634.
1578(43) 0.000541 1410. 1717.
1707(45) 0.000494 1409. 1816.
1875(47) 0.000453 1409. 1918.
1884(47) 0.000453 1409. 2004.
1983(48) 0.000434 1409. 2054.
2013(48) 0.000434 1408. 2056.
1981(48) 0.000434 1408. 2009.
1875(47) 0.000453 1408. 1926.
1778(45) 0.000494 1407. 1824.
1675(44) 0.000517 1407. 1722.
1647(44) 0.000517 1407. 1635.
1548(43) 0.000541 1407. 1568.
1531(42) 0.000567 1406. 1522.
1560(43) 0.000541 1406. 1494.
1490(42) 0.000567 1406. 1481.
1492(42) 0.000567 1406. 1480.
1510(42) 0.000567 1405. 1490.
1543(42) 0.000567 1405. 1512.
1562(43) 0.000541 1405. 1544.
1592(43) 0.000541 1405. 1586.
1637(44) 0.000517 1404. 1633.
1702(45) 0.000494 1404. 1676.
1665(44) 0.000517 1404. 1704.
1686(44) 0.000517 1403. 1708.
1668(44) 0.000517 1403. 1686.
1604(43) 0.000541 1403. 1646.
1591(43) 0.000541 1403. 1598.
1468(39) 0.000657 1402. 1552.
1435(39) 0.000657 1402. 1513.
1463(39) 0.000657 1402. 1485.
1487(40) 0.000625 1402. 1467.
1444(39) 0.000657 1401. 1457.
1401(38) 0.000693 1401. 1455.
1477(39) 0.000657 1401. 1460.
1494(40) 0.000625 1401. 1472.
1542(40) 0.000625 1400. 1494.
1479(39) 0.000657 1400. 1528.
1565(41) 0.000595 1400. 1574.
1584(41) 0.000595 1400. 1630.
1716(42) 0.000567 1399. 1689.
1767(43) 0.000541 1399. 1743.
1837(44) 0.000517 1399. 1778.
1787(43) 0.000541 1399. 1783.
1737(43) 0.000541 1398. 1759.
1683(42) 0.000567 1398. 1717.
1677(42) 0.000567 1398. 1674.
1641(41) 0.000595 1398. 1645.
1625(41) 0.000595 1397. 1640.
1621(41) 0.000595 1397. 1666.
1700(42) 0.000567 1397. 1723.
1751(43) 0.000541 1397. 1805.
1884(44) 0.000517 1396. 1897.
1877(44) 0.000517 1396. 1980.
1936(45) 0.000494 1396. 2029.
1978(45) 0.000494 1396. 2026.
1884(44) 0.000517 1395. 1972.
1805(43) 0.000541 1395. 1883.
1772(43) 0.000541 1395. 1783.
1631(41) 0.000595 1395. 1689.
1603(41) 0.000595 1395. 1613.
1541(40) 0.000625 1394. 1558.
1515(40) 0.000625 1394. 1523.
1533(40) 0.000625 1394. 1505.
1505(40) 0.000625 1394. 1500.
1526(40) 0.000625 1393. 1509.
1489(40) 0.000625 1393. 1532.
1517(40) 0.000625 1393. 1571.
1580(41) 0.000595 1393. 1628.
1742(43) 0.000541 1392. 1702.
1831(44) 0.000517 1392. 1788.
1880(44) 0.000517 1392. 1876.
1909(45) 0.000494 1392. 1951.
2002(46) 0.000473 1392. 2001.
2026(46) 0.000473 1391. 2023.
2034(46) 0.000473 1391. 2026.
2051(46) 0.000473 1391. 2029.
2089(47) 0.000453 1391. 2041.
2037(46) 0.000473 1390. 2062.
2153(47) 0.000453 1390. 2080.
2202(48) 0.000434 1390. 2075.
2051(46) 0.000473 1390. 2033.
1992(46) 0.000473 1389. 1956.
1914(45) 0.000494 1389. 1857.
1757(43) 0.000541 1389. 1755.
1650(42) 0.000567 1389. 1664.
1603(41) 0.000595 1389. 1590.
1516(40) 0.000625 1388. 1538.
1472(39) 0.000657 1388. 1504.
1480(39) 0.000657 1388. 1488.
1468(39) 0.000657 1388. 1486.
1506(40) 0.000625 1387. 1497.
1492(40) 0.000625 1387. 1522.
1540(40) 0.000625 1387. 1560.
1601(41) 0.000595 1387. 1609.
1728(43) 0.000541 1387. 1665.
1814(44) 0.000517 1386. 1719.
1848(44) 0.000517 1386. 1760.
1827(44) 0.000517 1386. 1776.
1816(44) 0.000517 1386. 1762.
1854(44) 0.000517 1385. 1722.
1776(43) 0.000541 1385. 1668.
1724(42) 0.000567 1385. 1614.
1647(42) 0.000567 1385. 1567.
1519(40) 0.000625 1385. 1533.
1483(39) 0.000657 1384. 1513.
1495(40) 0.000625 1384. 1510.
1566(41) 0.000595 1384. 1525.
1623(41) 0.000595 1384. 1563.
1615(41) 0.000595 1384. 1626.
1692(42) 0.000567 1383. 1719.
1755(43) 0.000541 1383. 1840.
1959(45) 0.000494 1383. 1982.
2072(46) 0.000473 1383. 2129.
2137(47) 0.000453 1383. 2254.
2197(48) 0.000434 1382. 2329.
2250(48) 0.000434 1382. 2330.
2219(48) 0.000434 1382. 2262.
2158(47) 0.000453 1382. 2154.
2123(47) 0.000453 1381. 2042.
1973(45) 0.000494 1381. 1955.
1919(45) 0.000494 1381. 1913.
1972(45) 0.000494 1381. 1924.
2032(46) 0.000473 1381. 1982.
2146(47) 0.000453 1380. 2073.
2251(48) 0.000434 1380. 2173.
2274(49) 0.000416 1380. 2251.
2370(50) 0.000400 1380. 2282.
2368(48) 0.000434 1380. 2256.
2176(46) 0.000473 1379. 2189.
2095(45) 0.000494 1379. 2105.
2054(45) 0.000494 1379. 2024.
1884(43) 0.000541 1379. 1956.
1812(42) 0.000567 1379. 1901.
1780(42) 0.000567 1378. 1853.
1762(41) 0.000595 1378. 1808.
1682(40) 0.000625 1378. 1769.
1709(41) 0.000595 1378. 1744.
1683(40) 0.000625 1378. 1742.
1701(41) 0.000595 1377. 1769.
1801(42) 0.000567 1377. 1827.
1898(43) 0.000541 1377. 1913.
2135(45) 0.000494 1377. 2020.
2203(46) 0.000473 1377. 2136.
2342(48) 0.000434 1376. 2245.
2368(48) 0.000434 1376. 2338.
2468(49) 0.000416 1376. 2420.
2534(50) 0.000400 1376. 2506.
2625(50) 0.000400 1376. 2605.
2694(51) 0.000384 1375. 2713.
2762(52) 0.000370 1375. 2807.
2784(52) 0.000370 1375. 2853.
2806(52) 0.000370 1375. 2821.
2760(52) 0.000370 1375. 2713.
2563(50) 0.000400 1375. 2560.
2392(48) 0.000434 1374. 2402.
2170(46) 0.000473 1374. 2277.
2140(46) 0.000473 1374. 2207.
2163(46) 0.000473 1374. 2198.
2250(47) 0.000453 1374. 2239.
2363(48) 0.000434 1373. 2306.
2511(49) 0.000416 1373. 2365.
2497(49) 0.000416 1373. 2381.
2490(49) 0.000416 1373. 2336.
2387(48) 0.000434 1373. 2236.
2252(47) 0.000453 1372. 2107.
2043(44) 0.000517 1372. 1974.
1930(43) 0.000541 1372. 1855.
1747(41) 0.000595 1372. 1759.
1758(41) 0.000595 1372. 1688.
1713(41) 0.000595 1371. 1637.
1700(41) 0.000595 1371. 1598.
1603(39) 0.000657 1371. 1568.
1520(38) 0.000693 1371. 1542.
1532(39) 0.000657 1371. 1523.
1525(38) 0.000693 1371. 1509.
1520(38) 0.000693 1370. 1504.
1567(39) 0.000657 1370. 1510.
1549(39) 0.000657 1370. 1530.
1609(39) 0.000657 1370. 1567.
1635(40) 0.000625 1370. 1623.
1626(40) 0.000625 1369. 1696.
1708(41) 0.000595 1369. 1783.
1873(43) 0.000541 1369. 1874.
1908(43) 0.000541 1369. 1957.
1952(43) 0.000541 1369. 2015.
1998(44) 0.000517 1369. 2036.
1937(43) 0.000541 1368. 2019.
1951(43) 0.000541 1368. 1981.
1899(43) 0.000541 1368. 1946.
1925(43) 0.000541 1368. 1934.
2004(44) 0.000517 1368. 1961.
2049(45) 0.000494 1367. 2031.
2175(46) 0.000473 1367. 2139.
2241(47) 0.000453 1367. 2269.
2346(48) 0.000434 1367. 2396.
2438(49) 0.000416 1367. 2487.
2434(49) 0.000416 1367. 2518.
2507(49) 0.000416 1366. 2486.
2436(49) 0.000416 1366. 2408.
2285(47) 0.000453 1366. 2313.
2243(47) 0.000453 1366. 2220.
2231(46) 0.000473 1366. 2138.
2179(46) 0.000473 1365. 2066.
2039(44) 0.000517 1365. 1998.
1978(44) 0.000517 1365. 1931.
1851(42) 0.000567 1365. 1866.
1798(42) 0.000567 1365. 1811.
1744(41) 0.000595 1365. 1772.
1762(41) 0.000595 1364. 1752.
1744(41) 0.000595 1364. 1754.
1800(42) 0.000567 1364. 1772.
1814(42) 0.000567 1364. 1797.
1841(42) 0.000567 1364. 1820.
1832(42) 0.000567 1364. 1830.
1809(42) 0.000567 1363. 1823.
1804(42) 0.000567 1363. 1804.
1836(42) 0.000567 1363. 1777.
1775(41) 0.000595 1363. 1749.
1724(41) 0.000595 1363. 1718.
1678(40) 0.000625 1362. 1685.
1674(40) 0.000625 1362. 1649.
1657(40) 0.000625 1362. 1613.
1572(39) 0.000657 1362. 1582.
1594(39) 0.000657 1362. 1558.
1592(39) 0.000657 1362. 1546.
1612(40) 0.000625 1361. 1545.
1578(39) 0.000657 1361. 1556.
1562(37) 0.000730 1361. 1576.
1615(38) 0.000693 1361. 1603.
1640(38) 0.000693 1361. 1633.
1664(38) 0.000693 1361. 1661.
1675(39) 0.000657 1360. 1687.
1716(39) 0.000657 1360. 1713.
1752(39) 0.000657 1360. 1737.
1854(41) 0.000595 1360. 1757.
1889(41) 0.000595 1360. 1767.
1907(41) 0.000595 1360. 1760.
1830(40) 0.000625 1359. 1733.
1752(39) 0.000657 1359. 1689.
1627(38) 0.000693 1359. 1635.
1658(38) 0.000693 1359. 1580.
1591(38) 0.000693 1359. 1530.
1482(36) 0.000772 1359. 1487.
1457(36) 0.000772 1358. 1453.
1488(36) 0.000772 1358. 1429.
1432(36) 0.000772 1358. 1412.
1434(36) 0.000772 1358. 1400.
1470(36) 0.000772 1358. 1393.
1436(36) 0.000772 1357. 1388.
1391(35) 0.000816 1357.3 1384.9
1361(35) 0.000816 1357.1 1382.6
1403(35) 0.000816 1357.0 1380.8
1367(35) 0.000816 1356.8 1379.4
1388(35) 0.000816 1356.6 1378.2
1403(35) 0.000816 1356.5 1377.2
1402(35) 0.000816 1356.3 1376.3
1428(36) 0.000772 1356. 1376.
1380(35) 0.000816 1356.0 1374.9
1380(35) 0.000816 1355.8 1374.4
1413(35) 0.000816 1355.6 1374.0
1380(35) 0.000816 1355.5 1373.7
1395(35) 0.000816 1355.3 1373.4
1425(36) 0.000772 1355. 1373.
1377(35) 0.000816 1354.9 1373.4
1368(35) 0.000816 1354.8 1373.6
1414(35) 0.000816 1354.6 1374.1
1385(35) 0.000816 1354.4 1374.7
1371(35) 0.000816 1354.3 1375.5
1389(35) 0.000816 1354.1 1376.4
1417(35) 0.000816 1353.9 1377.4
1414(35) 0.000816 1353.8 1378.4
1416(35) 0.000816 1353.6 1379.3
1432(36) 0.000772 1353. 1380.
1413(35) 0.000816 1353.3 1381.2
1451(36) 0.000772 1353. 1383.
1389(35) 0.000816 1352.9 1385.6
1458(36) 0.000772 1353. 1390.
1421(35) 0.000816 1352.6 1397.7
1421(35) 0.000816 1352.4 1409.1
1431(36) 0.000772 1352. 1426.
1436(36) 0.000772 1352. 1448.
1500(36) 0.000772 1352. 1476.
1495(36) 0.000772 1352. 1509.
1604(38) 0.000693 1352. 1544.
1639(38) 0.000693 1351. 1577.
1647(38) 0.000693 1351. 1605.
1693(39) 0.000657 1351. 1623.
1694(39) 0.000657 1351. 1630.
1628(38) 0.000693 1351. 1629.
1650(38) 0.000693 1351. 1628.
1715(39) 0.000657 1350. 1634.
1677(39) 0.000657 1350. 1650.
1760(40) 0.000625 1350. 1678.
1709(39) 0.000657 1350. 1716.
1735(39) 0.000657 1350. 1758.
1807(40) 0.000625 1350. 1795.
1845(40) 0.000625 1349. 1820.
1846(40) 0.000625 1349. 1828.
1795(40) 0.000625 1349. 1820.
1754(39) 0.000657 1349. 1803.
1731(39) 0.000657 1349. 1780.
1707(39) 0.000657 1349. 1754.
1713(39) 0.000657 1348. 1723.
1671(39) 0.000657 1348. 1686.
1586(38) 0.000693 1348. 1643.
1563(37) 0.000730 1348. 1597.
1524(37) 0.000730 1348. 1552.
1546(37) 0.000730 1348. 1511.
1434(36) 0.000772 1347. 1477.
1401(35) 0.000816 1347.2 1450.6
1442(36) 0.000772 1347. 1432.
1421(35) 0.000816 1346.8 1420.3
1418(35) 0.000816 1346.7 1415.1
1417(35) 0.000816 1346.5 1415.1
1430(36) 0.000772 1346. 1419.
1402(35) 0.000816 1346.2 1425.0
1481(36) 0.000772 1346. 1432.
1458(36) 0.000772 1346. 1439.
1414(35) 0.000816 1345.7 1445.5
1422(36) 0.000772 1345. 1450.
1458(36) 0.000772 1345. 1455.
1435(36) 0.000772 1345. 1462.
1462(36) 0.000772 1345. 1474.
1426(36) 0.000772 1345. 1490.
1497(36) 0.000772 1345. 1513.
1575(37) 0.000730 1344. 1539.
1537(37) 0.000730 1344. 1565.
1493(50) 0.000400 1344. 1588.
1595(36) 0.000772 1344. 1601.
1622(37) 0.000730 1344. 1600.
1613(36) 0.000772 1344. 1587.
1557(36) 0.000772 1343. 1563.
1508(35) 0.000816 1343.3 1535.9
1509(35) 0.000816 1343.1 1509.3
1505(35) 0.000816 1342.9 1487.9
1466(35) 0.000816 1342.8 1475.0
1444(34) 0.000865 1342.6 1473.1
1522(35) 0.000816 1342.4 1483.8
1573(36) 0.000772 1342. 1508.
1625(37) 0.000730 1342. 1546.
1643(37) 0.000730 1342. 1596.
1694(37) 0.000730 1342. 1656.
1751(38) 0.000693 1342. 1723.
1812(39) 0.000657 1341. 1790.
1859(39) 0.000657 1341. 1851.
1921(40) 0.000625 1341. 1900.
1951(40) 0.000625 1341. 1934.
1966(40) 0.000625 1341. 1956.
1992(40) 0.000625 1341. 1966.
1997(40) 0.000625 1340. 1966.
1972(40) 0.000625 1340. 1950.
1936(40) 0.000625 1340. 1917.
1907(40) 0.000625 1340. 1867.
1834(39) 0.000657 1340. 1809.
1737(38) 0.000693 1339. 1749.
1703(37) 0.000730 1339. 1696.
1717(38) 0.000693 1339. 1654.
1648(37) 0.000730 1339. 1625.
1642(37) 0.000730 1339. 1607.
1598(36) 0.000772 1339. 1597.
1606(36) 0.000772 1338. 1592.
1602(36) 0.000772 1338. 1587.
1593(36) 0.000772 1338. 1580.
1541(36) 0.000772 1338. 1572.
1584(36) 0.000772 1338. 1565.
1597(36) 0.000772 1338. 1558.
1586(36) 0.000772 1337. 1553.
1514(35) 0.000816 1337.2 1546.9
1475(35) 0.000816 1337.0 1538.2
1522(35) 0.000816 1336.8 1525.1
1530(35) 0.000816 1336.7 1507.9
1504(35) 0.000816 1336.5 1488.3
1494(35) 0.000816 1336.3 1468.9
1469(35) 0.000816 1336.1 1452.1
1446(35) 0.000816 1336.0 1439.6
1417(34) 0.000865 1335.8 1432.6
1434(34) 0.000865 1335.6 1431.7
1430(34) 0.000865 1335.4 1436.4
1441(34) 0.000865 1335.2 1445.8
1478(35) 0.000816 1335.1 1458.1
1507(35) 0.000816 1334.9 1470.9
1477(35) 0.000816 1334.7 1481.4
1503(35) 0.000816 1334.5 1487.0
1489(35) 0.000816 1334.3 1486.3
1492(35) 0.000816 1334.2 1479.7
1450(35) 0.000816 1334.0 1469.4
1439(34) 0.000865 1333.8 1458.2
1473(35) 0.000816 1333.6 1448.7
1457(35) 0.000816 1333.4 1442.7
1451(35) 0.000816 1333.3 1441.4
1427(34) 0.000865 1333.1 1445.4
1464(35) 0.000816 1332.9 1454.6
1483(35) 0.000816 1332.7 1468.2
1496(35) 0.000816 1332.5 1485.2
1521(35) 0.000816 1332.4 1504.6
1489(35) 0.000816 1332.2 1525.0
1540(36) 0.000772 1332. 1545.
1600(36) 0.000772 1332. 1560.
1547(36) 0.000772 1332. 1570.
1552(36) 0.000772 1331. 1570.
1584(36) 0.000772 1331. 1561.
1532(36) 0.000772 1331. 1546.
1564(36) 0.000772 1331. 1528.
1561(36) 0.000772 1331. 1511.
1482(35) 0.000816 1330.5 1497.4
1461(35) 0.000816 1330.3 1487.2
1475(35) 0.000816 1330.2 1480.0
1430(34) 0.000865 1330.0 1474.3
1420(34) 0.000865 1329.8 1468.1
1390(34) 0.000865 1329.6 1459.8
1418(34) 0.000865 1329.4 1449.2
1448(35) 0.000816 1329.2 1437.2
1401(34) 0.000865 1329.1 1424.8
1353(33) 0.000918 1328.9 1413.1
1361(33) 0.000918 1328.7 1402.7
1342(33) 0.000918 1328.5 1393.9
1352(33) 0.000918 1328.3 1386.8
1339(33) 0.000918 1328.1 1381.6
1334(33) 0.000918 1327.9 1378.3
1377(34) 0.000865 1327.7 1377.5
1358(33) 0.000918 1327.6 1379.7
1356(33) 0.000918 1327.4 1385.3
1381(34) 0.000865 1327.2 1395.0
1400(34) 0.000865 1327.0 1409.0
1439(34) 0.000865 1326.8 1427.1
1440(34) 0.000865 1326.6 1448.7
1429(34) 0.000865 1326.4 1472.2
1518(35) 0.000816 1326.2 1495.3
1549(36) 0.000772 1326. 1515.
1520(35) 0.000816 1325.9 1527.6
1516(35) 0.000816 1325.7 1530.7
1483(35) 0.000816 1325.5 1523.4
1492(35) 0.000816 1325.3 1507.8
1490(35) 0.000816 1325.1 1487.1
1491(35) 0.000816 1324.9 1465.0
1418(34) 0.000865 1324.7 1444.6
1422(34) 0.000865 1324.5 1428.0
1400(34) 0.000865 1324.3 1416.7
1461(35) 0.000816 1324.1 1411.4
1435(35) 0.000816 1323.9 1411.9
1426(34) 0.000865 1323.8 1417.5
1431(34) 0.000865 1323.6 1426.7
1398(34) 0.000865 1323.4 1438.0
1434(34) 0.000865 1323.2 1449.2
1424(34) 0.000865 1323.0 1458.2
1451(35) 0.000816 1322.8 1463.0
1467(35) 0.000816 1322.6 1463.0
1474(35) 0.000816 1322.4 1458.8
1406(34) 0.000865 1322.2 1452.5
1362(34) 0.000865 1322.0 1445.8
1428(34) 0.000865 1321.8 1440.2
1422(34) 0.000865 1321.6 1436.5
1448(35) 0.000816 1321.4 1434.5
1410(34) 0.000865 1321.2 1433.6
1386(34) 0.000865 1321.0 1432.4
1415(34) 0.000865 1320.8 1429.8
1440(35) 0.000816 1320.6 1425.0
1418(34) 0.000865 1320.4 1418.4
1397(34) 0.000865 1320.2 1411.2
1407(34) 0.000865 1320.0 1404.8
1405(34) 0.000865 1319.8 1400.6
1378(34) 0.000865 1319.6 1400.0
1371(34) 0.000865 1319.4 1404.0
1395(34) 0.000865 1319.2 1413.2
1417(34) 0.000865 1319.0 1428.1
1418(34) 0.000865 1318.8 1448.2
1444(35) 0.000816 1318.6 1472.5
1490(35) 0.000816 1318.4 1499.5
1516(35) 0.000816 1318.2 1526.4
1543(36) 0.000772 1318. 1550.
1594(36) 0.000772 1318. 1568.
1602(36) 0.000772 1318. 1577.
1636(37) 0.000730 1317. 1578.
1562(36) 0.000772 1317. 1572.
1538(36) 0.000772 1317. 1561.
1505(35) 0.000816 1316.8 1547.7
1453(35) 0.000816 1316.6 1534.2
1450(35) 0.000816 1316.4 1522.1
1492(35) 0.000816 1316.2 1513.2
1521(36) 0.000772 1316. 1509.
1490(35) 0.000816 1315.8 1512.0
1568(36) 0.000772 1316. 1521.
1571(36) 0.000772 1315. 1535.
1533(36) 0.000772 1315. 1553.
1544(36) 0.000772 1315. 1571.
1606(36) 0.000772 1315. 1586.
1563(36) 0.000772 1315. 1596.
1634(37) 0.000730 1314. 1598.
1599(36) 0.000772 1314. 1594.
1529(36) 0.000772 1314. 1585.
1522(36) 0.000772 1314. 1572.
1535(36) 0.000772 1314. 1557.
1508(35) 0.000816 1313.3 1540.4
1438(35) 0.000816 1313.1 1520.9
1478(35) 0.000816 1312.9 1499.6
1481(35) 0.000816 1312.7 1477.4
1432(34) 0.000865 1312.5 1455.6
1391(34) 0.000865 1312.3 1435.5
1400(34) 0.000865 1312.1 1417.9
1421(34) 0.000865 1311.9 1403.6
1383(34) 0.000865 1311.7 1392.8
1411(34) 0.000865 1311.5 1385.5
1381(34) 0.000865 1311.3 1381.9
1364(34) 0.000865 1311.1 1381.9
1408(34) 0.000865 1310.8 1385.5
1406(34) 0.000865 1310.6 1393.3
1429(34) 0.000865 1310.4 1405.6
1405(34) 0.000865 1310.2 1423.2
1412(34) 0.000865 1310.0 1447.1
1483(35) 0.000816 1309.8 1478.0
1537(36) 0.000772 1310. 1516.
1577(36) 0.000772 1309. 1561.
1569(36) 0.000772 1309. 1610.
1666(37) 0.000730 1309. 1661.
1761(38) 0.000693 1309. 1710.
1740(38) 0.000693 1309. 1749.
1780(38) 0.000693 1308. 1774.
1815(39) 0.000657 1308. 1780.
1818(39) 0.000657 1308. 1767.
1776(38) 0.000693 1308. 1740.
1680(37) 0.000730 1307. 1704.
1679(37) 0.000730 1307. 1665.
1626(37) 0.000730 1307. 1626.
1629(37) 0.000730 1307. 1592.
1595(36) 0.000772 1307. 1566.
1541(36) 0.000772 1306. 1550.
1531(36) 0.000772 1306. 1547.
1568(29) 0.001189 1305.9 1561.2
1605(36) 0.000772 1306. 1594.
1672(37) 0.000730 1305. 1648.
1746(38) 0.000693 1305. 1724.
1791(38) 0.000693 1305. 1823.
1881(39) 0.000657 1305. 1940.
2071(41) 0.000595 1305. 2069.
2194(42) 0.000567 1304. 2201.
2259(43) 0.000541 1304. 2322.
2350(44) 0.000517 1304. 2417.
2487(45) 0.000494 1304. 2469.
2395(44) 0.000517 1304. 2469.
2333(44) 0.000517 1303. 2416.
2277(43) 0.000541 1303. 2322.
2174(42) 0.000567 1303. 2203.
2073(41) 0.000595 1303. 2076.
1948(40) 0.000625 1302. 1955.
1860(39) 0.000657 1302. 1848.
1798(38) 0.000693 1302. 1763.
1762(38) 0.000693 1302. 1703.
1701(37) 0.000730 1302. 1668.
1638(37) 0.000730 1301. 1655.
1691(37) 0.000730 1301. 1661.
1657(37) 0.000730 1301. 1679.
1649(37) 0.000730 1301. 1704.
1694(37) 0.000730 1300. 1729.
1711(37) 0.000730 1300. 1748.
1688(37) 0.000730 1300. 1755.
1690(37) 0.000730 1300. 1749.
1731(38) 0.000693 1300. 1729.
1699(37) 0.000730 1299. 1698.
1576(36) 0.000772 1299. 1661.
1573(36) 0.000772 1299. 1623.
1526(35) 0.000816 1298.6 1587.9
1568(36) 0.000772 1298. 1559.
1526(35) 0.000816 1298.2 1539.1
1470(35) 0.000816 1298.0 1527.5
1434(34) 0.000865 1297.7 1523.8
1515(35) 0.000816 1297.5 1526.1
1536(36) 0.000772 1297. 1532.
1529(35) 0.000816 1297.1 1537.7
1508(35) 0.000816 1296.8 1541.3
1534(36) 0.000772 1297. 1541.
1524(35) 0.000816 1296.4 1535.9
1455(35) 0.000816 1296.1 1527.3
1491(35) 0.000816 1295.9 1517.1
1513(35) 0.000816 1295.7 1507.7
1482(35) 0.000816 1295.5 1502.0
1501(35) 0.000816 1295.2 1502.4
1518(35) 0.000816 1295.0 1510.4
1532(35) 0.000816 1294.8 1527.0
1548(36) 0.000772 1295. 1552.
1608(36) 0.000772 1294. 1583.
1601(36) 0.000772 1294. 1620.
1628(37) 0.000730 1294. 1657.
1700(37) 0.000730 1294. 1691.
1759(38) 0.000693 1293. 1717.
1733(38) 0.000693 1293. 1734.
1709(37) 0.000730 1293. 1739.
1745(38) 0.000693 1293. 1735.
1762(38) 0.000693 1292. 1725.
1743(38) 0.000693 1292. 1712.
1694(37) 0.000730 1292. 1699.
1729(38) 0.000693 1292. 1688.
1720(38) 0.000693 1292. 1678.
1714(38) 0.000693 1291. 1669.
1702(37) 0.000730 1291. 1658.
1656(37) 0.000730 1291. 1646.
1676(37) 0.000730 1291. 1631.
1680(37) 0.000730 1290. 1614.
1644(37) 0.000730 1290. 1594.
1634(37) 0.000730 1290. 1570.
1577(36) 0.000772 1290. 1543.
1547(36) 0.000772 1289. 1514.
1499(35) 0.000816 1289.2 1485.1
1464(35) 0.000816 1289.0 1457.2
1462(35) 0.000816 1288.8 1431.8
1424(34) 0.000865 1288.5 1409.7
1430(34) 0.000865 1288.3 1391.0
1406(34) 0.000865 1288.1 1375.6
1339(33) 0.000918 1287.8 1363.2
1293(33) 0.000918 1287.6 1353.2
1351(33) 0.000918 1287.4 1345.2
1356(33) 0.000918 1287.1 1338.8
1325(33) 0.000918 1286.9 1333.8
1292(33) 0.000918 1286.6 1329.8
1305(33) 0.000918 1286.4 1326.7
1336(33) 0.000918 1286.2 1324.5
1285(33) 0.000918 1285.9 1323.1
1330(33) 0.000918 1285.7 1322.5
1342(33) 0.000918 1285.5 1322.8
1316(33) 0.000918 1285.2 1324.2
1313(33) 0.000918 1285.0 1326.9
1295(33) 0.000918 1284.8 1331.1
1337(33) 0.000918 1284.5 1337.1
1281(32) 0.000977 1284.3 1345.3
1311(33) 0.000918 1284.0 1355.8
1348(33) 0.000918 1283.8 1368.8
1378(34) 0.000865 1283.6 1384.3
1386(34) 0.000865 1283.3 1402.2
1415(47) 0.000453 1283. 1422.
1475(34) 0.000865 1282.9 1443.2
1480(34) 0.000865 1282.6 1464.7
1418(33) 0.000918 1282.4 1485.5
1492(34) 0.000865 1282.1 1504.7
1477(34) 0.000865 1281.9 1522.1
1513(34) 0.000865 1281.7 1537.8
1548(35) 0.000816 1281.4 1551.9
1559(35) 0.000816 1281.2 1564.3
1542(35) 0.000816 1281.0 1574.3
1647(36) 0.000772 1281. 1581.
1553(35) 0.000816 1280.5 1584.4
1564(35) 0.000816 1280.2 1584.5
1567(35) 0.000816 1280.0 1582.5
1553(35) 0.000816 1279.8 1579.3
1597(35) 0.000816 1279.5 1575.2
1590(35) 0.000816 1279.3 1570.0
1553(35) 0.000816 1279.0 1562.5
1534(35) 0.000816 1278.8 1551.8
1513(34) 0.000865 1278.6 1537.3
1516(34) 0.000865 1278.3 1519.5
1476(34) 0.000865 1278.1 1499.9
1491(34) 0.000865 1277.8 1480.3
1440(33) 0.000918 1277.6 1462.2
1364(33) 0.000918 1277.4 1446.9
1430(33) 0.000918 1277.1 1435.1
1353(32) 0.000977 1276.9 1427.0
1380(33) 0.000918 1276.6 1422.3
1380(33) 0.000918 1276.4 1420.4
1357(33) 0.000918 1276.2 1420.5
1390(33) 0.000918 1275.9 1421.7
1449(34) 0.000865 1275.7 1423.2
1415(33) 0.000918 1275.4 1425.2
1425(33) 0.000918 1275.2 1428.3
1355(32) 0.000977 1275.0 1433.7
1359(33) 0.000918 1274.7 1442.9
1390(33) 0.000918 1274.5 1457.0
1445(34) 0.000865 1274.2 1477.0
1450(34) 0.000865 1274.0 1503.1
1513(34) 0.000865 1273.8 1534.8
1560(35) 0.000816 1273.5 1571.0
1607(35) 0.000816 1273.3 1609.7
1638(36) 0.000772 1273. 1648.
1645(36) 0.000772 1273. 1683.
1648(36) 0.000772 1273. 1709.
1715(36) 0.000772 1272. 1724.
1651(36) 0.000772 1272. 1724.
1676(36) 0.000772 1272. 1710.
1653(36) 0.000772 1272. 1683.
1624(36) 0.000772 1271. 1647.
1588(35) 0.000816 1271.1 1606.3
1534(35) 0.000816 1270.9 1565.7
1500(34) 0.000865 1270.6 1527.8
1467(34) 0.000865 1270.4 1495.1
1452(34) 0.000865 1270.1 1468.8
1400(33) 0.000918 1269.9 1449.5
1376(33) 0.000918 1269.7 1436.9
1374(33) 0.000918 1269.4 1430.5
1413(33) 0.000918 1269.2 1429.0
1453(34) 0.000865 1268.9 1431.2
1446(34) 0.000865 1268.7 1436.1
1389(33) 0.000918 1268.5 1443.0
1365(33) 0.000918 1268.2 1451.5
1493(34) 0.000865 1268.0 1462.0
1446(34) 0.000865 1267.7 1474.9
1492(34) 0.000865 1267.5 1490.5
1511(34) 0.000865 1267.2 1508.7
1508(34) 0.000865 1267.0 1528.8
1552(35) 0.000816 1266.8 1549.7
1558(35) 0.000816 1266.5 1570.1
1566(35) 0.000816 1266.3 1588.4
1597(35) 0.000816 1266.0 1603.6
1613(35) 0.000816 1265.8 1615.5
1628(36) 0.000772 1266. 1624.
1606(35) 0.000816 1265.3 1628.5
1598(35) 0.000816 1265.1 1629.2
1664(36) 0.000772 1265. 1626.
1607(35) 0.000816 1264.6 1618.1
1620(35) 0.000816 1264.4 1607.3
1662(36) 0.000772 1264. 1595.
1669(36) 0.000772 1264. 1581.
1604(35) 0.000816 1263.6 1568.0
1603(35) 0.000816 1263.4 1554.9
1583(35) 0.000816 1263.1 1541.5
1530(34) 0.000865 1262.9 1527.1
1515(34) 0.000865 1262.7 1511.1
1552(35) 0.000816 1262.4 1493.2
1485(34) 0.000865 1262.2 1474.2
1522(34) 0.000865 1261.9 1455.2
1518(34) 0.000865 1261.7 1437.4
1437(33) 0.000918 1261.5 1422.0
1354(32) 0.000977 1261.2 1410.0
1427(33) 0.000918 1261.0 1402.0
1359(33) 0.000918 1260.7 1398.6
1352(32) 0.000977 1260.5 1400.1
1391(33) 0.000918 1260.3 1406.6
1424(33) 0.000918 1260.0 1417.7
1403(33) 0.000918 1259.8 1433.1
1478(34) 0.000865 1259.5 1452.1
1467(34) 0.000865 1259.3 1473.8
1450(34) 0.000865 1259.1 1497.1
1497(34) 0.000865 1258.8 1521.2
1521(34) 0.000865 1258.6 1545.1
1529(35) 0.000816 1258.4 1567.8
1602(35) 0.000816 1258.1 1588.0
1567(35) 0.000816 1257.9 1604.5
1649(36) 0.000772 1258. 1616.
1746(37) 0.000730 1257. 1623.
1668(36) 0.000772 1257. 1626.
1669(36) 0.000772 1257. 1626.
1735(37) 0.000730 1257. 1626.
1752(37) 0.000730 1256. 1628.
1715(37) 0.000730 1256. 1635.
1698(36) 0.000772 1256. 1648.
1727(37) 0.000730 1256. 1666.
1726(37) 0.000730 1255. 1690.
1689(36) 0.000772 1255. 1717.
1778(37) 0.000730 1255. 1743.
1701(36) 0.000772 1255. 1764.
1739(37) 0.000730 1255. 1776.
1759(37) 0.000730 1254. 1777.
1669(36) 0.000772 1254. 1764.
1704(36) 0.000772 1254. 1740.
1686(36) 0.000772 1254. 1708.
1694(36) 0.000772 1253. 1672.
1583(35) 0.000816 1253.1 1634.9
1597(35) 0.000816 1252.9 1600.4
1656(36) 0.000772 1253. 1570.
1533(35) 0.000816 1252.4 1546.2
1527(35) 0.000816 1252.2 1528.1
1504(34) 0.000865 1252.0 1515.6
1552(35) 0.000816 1251.7 1507.7
1535(35) 0.000816 1251.5 1502.9
1524(35) 0.000816 1251.3 1499.3
1505(34) 0.000865 1251.0 1495.0
1428(33) 0.000918 1250.8 1488.2
1441(34) 0.000865 1250.6 1478.2
1466(34) 0.000865 1250.3 1465.0
1414(33) 0.000918 1250.1 1449.6
1423(33) 0.000918 1249.9 1433.2
1434(33) 0.000918 1249.6 1417.1
1360(33) 0.000918 1249.4 1402.7
1328(32) 0.000977 1249.2 1390.7
1331(32) 0.000977 1248.9 1381.6
1381(33) 0.000918 1248.7 1375.6
1395(33) 0.000918 1248.5 1372.5
1365(33) 0.000918 1248.2 1371.9
1376(33) 0.000918 1248.0 1373.0
1360(33) 0.000918 1247.8 1374.7
1382(33) 0.000918 1247.5 1376.1
1353(33) 0.000918 1247.3 1376.1
1288(32) 0.000977 1247.1 1373.9
1361(33) 0.000918 1246.8 1369.4
1287(32) 0.000977 1246.6 1362.5
1340(32) 0.000977 1246.4 1353.9
1362(33) 0.000918 1246.2 1344.3
1401(33) 0.000918 1245.9 1334.4
1284(32) 0.000977 1245.7 1324.7
1357(33) 0.000918 1245.5 1315.8
1340(32) 0.000977 1245.2 1308.0
1296(32) 0.000977 1245.0 1301.4
1295(32) 0.000977 1244.8 1296.1
1284(32) 0.000977 1244.6 1292.1
1364(33) 0.000918 1244.3 1289.2
1291(32) 0.000977 1244.1 1287.2
1280(32) 0.000977 1243.9 1285.9
1247(31) 0.001041 1243.7 1285.1
1302(32) 0.000977 1243.4 1284.7
1254(31) 0.001041 1243.2 1284.5
1252(31) 0.001041 1243.0 1284.7
1263(31) 0.001041 1242.8 1285.2
1264(31) 0.001041 1242.5 1286.2
1279(32) 0.000977 1242.3 1287.8
1292(32) 0.000977 1242.1 1290.1
1256(31) 0.001041 1241.9 1293.2
1284(32) 0.000977 1241.6 1297.1
1219(31) 0.001041 1241.4 1301.9
1276(32) 0.000977 1241.2 1307.4
1351(33) 0.000918 1241.0 1313.6
1375(33) 0.000918 1240.8 1320.3
1336(32) 0.000977 1240.5 1327.6
1362(33) 0.000918 1240.3 1335.2
1316(32) 0.000977 1240.1 1343.3
1309(32) 0.000977 1239.9 1352.2
1406(33) 0.000918 1239.6 1362.1
1371(33) 0.000918 1239.4 1373.7
1365(33) 0.000918 1239.2 1387.2
1378(33) 0.000918 1239.0 1402.8
1474(34) 0.000865 1238.8 1420.6
1435(33) 0.000918 1238.5 1440.3
1455(34) 0.000865 1238.3 1461.4
1436(33) 0.000918 1238.1 1483.2
1417(33) 0.000918 1237.9 1504.6
1489(34) 0.000865 1237.7 1524.2
1476(34) 0.000865 1237.5 1540.4
1513(34) 0.000865 1237.2 1551.6
1429(33) 0.000918 1237.0 1556.7
1487(34) 0.000865 1236.8 1555.6
1423(33) 0.000918 1236.6 1549.1
1499(34) 0.000865 1236.4 1538.3
1457(34) 0.000865 1236.2 1524.7
1547(36) 0.000772 1236. 1510.
1480(35) 0.000816 1235.7 1493.6
1450(35) 0.000816 1235.5 1477.7
1413(34) 0.000865 1235.3 1462.3
1461(35) 0.000816 1235.1 1447.9
1459(35) 0.000816 1234.9 1435.2
1379(34) 0.000865 1234.7 1424.4
1437(34) 0.000865 1234.5 1416.1
1414(34) 0.000865 1234.3 1410.4
1352(33) 0.000918 1234.0 1407.4
1428(34) 0.000865 1233.8 1407.4
1397(34) 0.000865 1233.6 1410.3
1479(35) 0.000816 1233.4 1416.2
1459(35) 0.000816 1233.2 1424.8
1478(35) 0.000816 1233.0 1435.6
1471(35) 0.000816 1232.8 1448.0
1442(34) 0.000865 1232.6 1461.0
1457(35) 0.000816 1232.4 1473.7
1467(35) 0.000816 1232.2 1485.4
1514(35) 0.000816 1232.0 1495.3
1521(35) 0.000816 1231.8 1503.1
1507(35) 0.000816 1231.6 1508.1
1477(35) 0.000816 1231.4 1509.7
1584(36) 0.000772 1231. 1507.
1511(35) 0.000816 1230.9 1500.4
1542(36) 0.000772 1231. 1489.
1518(35) 0.000816 1230.5 1473.7
1487(35) 0.000816 1230.3 1455.0
1447(35) 0.000816 1230.1 1434.4
1502(35) 0.000816 1229.9 1413.0
1397(34) 0.000865 1229.7 1391.9
1390(34) 0.000865 1229.5 1372.1
1357(33) 0.000918 1229.3 1354.2
1354(33) 0.000918 1229.1 1338.4
1325(33) 0.000918 1228.9 1325.2
1322(33) 0.000918 1228.7 1314.3
1322(33) 0.000918 1228.5 1305.7
1293(33) 0.000918 1228.3 1299.1
1261(32) 0.000977 1228.1 1294.1
1301(33) 0.000918 1227.9 1290.4
1278(32) 0.000977 1227.7 1287.7
1270(32) 0.000977 1227.6 1285.8
1249(32) 0.000977 1227.4 1284.6
1170(31) 0.001041 1227.2 1283.9
1287(33) 0.000918 1227.0 1284.0
1242(32) 0.000977 1226.8 1284.8
1281(33) 0.000918 1226.6 1286.5
1307(33) 0.000918 1226.4 1289.0
1335(33) 0.000918 1226.2 1292.5
1279(32) 0.000977 1226.0 1297.0
1300(33) 0.000918 1225.8 1302.4
1317(33) 0.000918 1225.6 1308.8
1383(34) 0.000865 1225.4 1316.1
1366(34) 0.000865 1225.2 1324.2
1351(33) 0.000918 1225.1 1333.1
1360(33) 0.000918 1224.9 1342.7
1370(34) 0.000865 1224.7 1353.3
1399(34) 0.000865 1224.5 1365.0
1405(34) 0.000865 1224.3 1377.9
1466(35) 0.000816 1224.1 1392.3
1520(35) 0.000816 1223.9 1408.1
1425(34) 0.000865 1223.7 1425.0
1463(35) 0.000816 1223.6 1442.8
1522(35) 0.000816 1223.4 1460.7
1489(35) 0.000816 1223.2 1478.0
1447(35) 0.000816 1223.0 1493.8
1502(35) 0.000816 1222.8 1507.0
1542(36) 0.000772 1223. 1517.
1520(35) 0.000816 1222.5 1522.5
1504(35) 0.000816 1222.3 1524.6
1587(36) 0.000772 1222. 1523.
1508(35) 0.000816 1221.9 1519.7
1543(36) 0.000772 1222. 1514.
1479(35) 0.000816 1221.6 1507.1
1505(35) 0.000816 1221.4 1498.9
1472(35) 0.000816 1221.2 1489.3
1480(35) 0.000816 1221.0 1478.2
1491(35) 0.000816 1220.9 1465.7
1422(34) 0.000865 1220.7 1452.1
1397(34) 0.000865 1220.5 1438.1
1475(35) 0.000816 1220.3 1424.7
1473(35) 0.000816 1220.2 1412.8
1377(34) 0.000865 1220.0 1403.4
1419(34) 0.000865 1219.8 1397.4
1456(35) 0.000816 1219.6 1395.4
1409(34) 0.000865 1219.5 1398.1
1390(34) 0.000865 1219.3 1405.9
1401(34) 0.000865 1219.1 1419.0
1432(34) 0.000865 1219.0 1437.3
1517(35) 0.000816 1218.8 1460.4
1512(35) 0.000816 1218.6 1487.6
1539(36) 0.000772 1218. 1518.
1607(36) 0.000772 1218. 1550.
1581(36) 0.000772 1218. 1582.
1577(36) 0.000772 1218. 1611.
1593(36) 0.000772 1218. 1637.
1622(37) 0.000730 1218. 1657.
1601(36) 0.000772 1217. 1669.
1657(37) 0.000730 1217. 1674.
1633(37) 0.000730 1217. 1673.
1648(37) 0.000730 1217. 1667.
1610(37) 0.000730 1217. 1657.
1635(37) 0.000730 1217. 1645.
1591(36) 0.000772 1216. 1633.
1585(36) 0.000772 1216. 1620.
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1578(36) 0.000772 1216. 1595.
1620(37) 0.000730 1216. 1583.
1537(36) 0.000772 1216. 1570.
1569(36) 0.000772 1216. 1558.
1537(36) 0.000772 1215. 1546.
1529(36) 0.000772 1215. 1534.
1543(36) 0.000772 1215. 1521.
1609(37) 0.000730 1215. 1508.
1529(36) 0.000772 1215. 1493.
1498(35) 0.000816 1214.6 1477.4
1513(36) 0.000772 1214. 1460.
1440(35) 0.000816 1214.3 1441.5
1447(35) 0.000816 1214.2 1422.8
1472(35) 0.000816 1214.0 1404.5
1420(34) 0.000865 1213.9 1387.4
1416(34) 0.000865 1213.7 1372.2
1404(34) 0.000865 1213.6 1359.4
1363(34) 0.000865 1213.4 1349.5
1362(34) 0.000865 1213.3 1342.9
1323(33) 0.000918 1213.1 1340.1
1387(34) 0.000865 1213.0 1341.5
1347(34) 0.000865 1212.8 1347.4
1455(35) 0.000816 1212.7 1358.2
1443(35) 0.000816 1212.5 1374.2
1439(35) 0.000816 1212.4 1395.5
1469(35) 0.000816 1212.3 1422.2
1467(35) 0.000816 1212.1 1454.1
1541(36) 0.000772 1212. 1491.
1548(36) 0.000772 1212. 1531.
1644(37) 0.000730 1212. 1575.
1636(37) 0.000730 1212. 1619.
1673(37) 0.000730 1211. 1663.
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1733(38) 0.000693 1211. 1740.
1721(38) 0.000693 1211. 1768.
1815(39) 0.000657 1211. 1786.
1838(39) 0.000657 1211. 1792.
1765(38) 0.000693 1211. 1787.
1797(39) 0.000657 1210. 1771.
1836(39) 0.000657 1210. 1748.
1781(39) 0.000657 1210. 1720.
1745(38) 0.000693 1210. 1690.
1637(37) 0.000730 1210. 1660.
1626(37) 0.000730 1210. 1633.
1647(37) 0.000730 1210. 1609.
1615(37) 0.000730 1210. 1590.
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1622(37) 0.000730 1209. 1567.
1546(36) 0.000772 1209. 1563.
1587(36) 0.000772 1209. 1562.
1542(36) 0.000772 1209. 1566.
1579(36) 0.000772 1209. 1572.
1585(36) 0.000772 1209. 1580.
1637(37) 0.000730 1209. 1591.
1608(37) 0.000730 1208. 1605.
1664(37) 0.000730 1208. 1622.
1623(37) 0.000730 1208. 1643.
1625(37) 0.000730 1208. 1668.
1683(38) 0.000693 1208. 1697.
1746(38) 0.000693 1208. 1730.
1753(38) 0.000693 1208. 1766.
1740(38) 0.000693 1208. 1804.
1806(39) 0.000657 1207. 1843.
1864(39) 0.000657 1207. 1880.
1887(40) 0.000625 1207. 1913.
2008(41) 0.000595 1207. 1940.
2000(41) 0.000595 1207. 1959.
1978(41) 0.000595 1207. 1965.
1948(40) 0.000625 1207. 1958.
1967(41) 0.000595 1207. 1937.
1902(40) 0.000625 1207. 1904.
1925(40) 0.000625 1206. 1860.
1863(39) 0.000657 1206. 1809.
1817(39) 0.000657 1206. 1754.
1669(37) 0.000730 1206. 1698.
1661(37) 0.000730 1206. 1643.
1594(37) 0.000730 1206. 1591.
1537(36) 0.000772 1206. 1545.
1473(35) 0.000816 1205.7 1503.9
1484(35) 0.000816 1205.6 1470.2
1467(35) 0.000816 1205.5 1443.8
1441(35) 0.000816 1205.4 1425.2
1474(35) 0.000816 1205.3 1414.3
1415(34) 0.000865 1205.2 1411.3
1382(34) 0.000865 1205.1 1415.8
1427(35) 0.000816 1205.0 1427.7
1367(34) 0.000865 1204.9 1446.8
1485(35) 0.000816 1204.8 1472.4
1507(35) 0.000816 1204.7 1504.2
1570(36) 0.000772 1205. 1541.
1618(37) 0.000730 1205. 1583.
1604(37) 0.000730 1204. 1628.
1649(37) 0.000730 1204. 1674.
1681(37) 0.000730 1204. 1720.
1822(38) 0.000693 1204. 1765.
1786(37) 0.000730 1204. 1805.
1784(37) 0.000730 1204. 1839.
1834(38) 0.000693 1204. 1865.
1841(38) 0.000693 1204. 1882.
1904(38) 0.000693 1204. 1890.
1854(38) 0.000693 1204. 1892.
1896(38) 0.000693 1204. 1888.
1859(38) 0.000693 1203. 1881.
1833(38) 0.000693 1203. 1874.
1861(38) 0.000693 1203. 1868.
1861(38) 0.000693 1203. 1865.
1909(38) 0.000693 1203. 1865.
1883(38) 0.000693 1203. 1869.
1805(37) 0.000730 1203. 1875.
1893(38) 0.000693 1203. 1882.
1860(38) 0.000693 1203. 1888.
1819(37) 0.000730 1203. 1891.
1910(38) 0.000693 1203. 1890.
1866(38) 0.000693 1203. 1884.
1886(38) 0.000693 1202. 1871.
1817(37) 0.000730 1202. 1852.
1883(38) 0.000693 1202. 1829.
1883(38) 0.000693 1202. 1801.
1909(38) 0.000693 1202. 1772.
1792(37) 0.000730 1202. 1742.
1784(37) 0.000730 1202. 1712.
1698(36) 0.000772 1202. 1683.
1676(36) 0.000772 1202. 1656.
1659(36) 0.000772 1202. 1631.
1618(35) 0.000816 1201.8 1607.2
1611(35) 0.000816 1201.7 1584.7
1599(35) 0.000816 1201.6 1563.2
1545(35) 0.000816 1201.6 1542.1
1508(34) 0.000865 1201.5 1521.5
1538(34) 0.000865 1201.4 1501.6
1467(34) 0.000865 1201.4 1482.5
1471(34) 0.000865 1201.3 1464.8
1491(34) 0.000865 1201.2 1448.7
1447(33) 0.000918 1201.2 1434.5
1472(34) 0.000865 1201.1 1422.4
1411(33) 0.000918 1201.1 1412.6
1412(33) 0.000918 1201.0 1405.0
1452(33) 0.000918 1200.9 1399.5
1445(33) 0.000918 1200.9 1396.0
1415(33) 0.000918 1200.8 1394.2
1427(33) 0.000918 1200.8 1394.0
1383(33) 0.000918 1200.7 1394.9
1408(33) 0.000918 1200.6 1396.7
1441(33) 0.000918 1200.6 1399.2
1421(33) 0.000918 1200.5 1402.3
1457(34) 0.000865 1200.5 1405.8
1432(33) 0.000918 1200.4 1409.5
1385(33) 0.000918 1200.4 1413.2
1427(33) 0.000918 1200.3 1416.7
1492(34) 0.000865 1200.3 1419.6
1436(33) 0.000918 1200.2 1421.7
1396(33) 0.000918 1200.2 1422.7
1403(33) 0.000918 1200.1 1422.7
1404(33) 0.000918 1200.1 1421.8
1430(33) 0.000918 1200.0 1420.2
1375(33) 0.000918 1200.0 1418.4
1317(32) 0.000977 1199.9 1416.7
1429(33) 0.000918 1199.9 1415.4
1430(33) 0.000918 1199.9 1414.9
1398(33) 0.000918 1199.8 1415.6
1462(34) 0.000865 1199.8 1417.9
1400(33) 0.000918 1199.7 1422.0
1414(33) 0.000918 1199.7 1428.2
1386(33) 0.000918 1199.7 1436.7
1461(34) 0.000865 1199.6 1447.4
1408(33) 0.000918 1199.6 1460.2
1496(34) 0.000865 1199.5 1474.6
1510(34) 0.000865 1199.5 1490.3
1474(34) 0.000865 1199.5 1506.4
1505(34) 0.000865 1199.4 1522.1
1508(34) 0.000865 1199.4 1536.7
1485(34) 0.000865 1199.4 1549.3
1544(35) 0.000816 1199.3 1559.2
1551(35) 0.000816 1199.3 1566.3
1587(35) 0.000816 1199.3 1570.5
1539(34) 0.000865 1199.2 1572.6
1537(34) 0.000865 1199.2 1573.3
1603(35) 0.000816 1199.2 1573.6
1564(35) 0.000816 1199.1 1574.5
1560(35) 0.000816 1199.1 1576.8
1582(35) 0.000816 1199.1 1581.0
1633(36) 0.000772 1199. 1587.
1612(35) 0.000816 1199.0 1595.9
1685(36) 0.000772 1199. 1606.
1632(36) 0.000772 1199. 1617.
1665(36) 0.000772 1199. 1628.
1637(36) 0.000772 1199. 1638.
1669(36) 0.000772 1199. 1646.
1688(36) 0.000772 1199. 1649.
1668(36) 0.000772 1199. 1648.
1694(36) 0.000772 1199. 1641.
1638(36) 0.000772 1199. 1629.
1606(35) 0.000816 1198.8 1612.6
1628(49) 0.000416 1199. 1592.
1589(35) 0.000816 1198.8 1569.3
1607(35) 0.000816 1198.8 1545.0
1582(35) 0.000816 1198.8 1520.7
1524(34) 0.000865 1198.7 1497.3
1463(34) 0.000865 1198.7 1475.8
1470(34) 0.000865 1198.7 1457.0
1470(34) 0.000865 1198.7 1441.5
1457(34) 0.000865 1198.7 1429.7
1456(34) 0.000865 1198.7 1421.9
1440(33) 0.000918 1198.7 1418.3
1400(33) 0.000918 1198.7 1418.6
1407(33) 0.000918 1198.7 1422.9
1429(33) 0.000918 1198.6 1430.7
1435(33) 0.000918 1198.6 1441.5
1444(33) 0.000918 1198.6 1454.8
1469(34) 0.000865 1198.6 1469.9
1462(34) 0.000865 1198.6 1486.0
1490(34) 0.000865 1198.6 1502.4
1540(35) 0.000816 1198.6 1518.1
1550(35) 0.000816 1198.6 1532.7
1567(35) 0.000816 1198.6 1545.4
1586(35) 0.000816 1198.6 1555.9
1593(35) 0.000816 1198.6 1563.7
1618(35) 0.000816 1198.6 1568.4
1615(35) 0.000816 1198.6 1569.7
1620(35) 0.000816 1198.6 1567.3
1584(35) 0.000816 1198.6 1560.9
1604(35) 0.000816 1198.6 1550.5
1615(35) 0.000816 1198.6 1536.5
1580(35) 0.000816 1198.6 1519.4
1514(34) 0.000865 1198.6 1500.1
1501(34) 0.000865 1198.6 1479.4
1446(33) 0.000918 1198.6 1458.2
1409(33) 0.000918 1198.6 1437.4
1444(33) 0.000918 1198.6 1417.6
1418(33) 0.000918 1198.6 1399.6
1407(33) 0.000918 1198.7 1383.8
1381(33) 0.000918 1198.7 1370.6
1371(33) 0.000918 1198.7 1360.5
1366(33) 0.000918 1198.7 1353.8
1363(33) 0.000918 1198.7 1350.5
1338(32) 0.000977 1198.7 1350.9
1334(32) 0.000977 1198.7 1355.2
1389(33) 0.000918 1198.7 1363.2
1403(33) 0.000918 1198.7 1375.0
1382(33) 0.000918 1198.8 1390.5
1394(33) 0.000918 1198.8 1409.5
1450(34) 0.000865 1198.8 1431.6
1450(34) 0.000865 1198.8 1456.4
1473(34) 0.000865 1198.8 1483.6
1519(34) 0.000865 1198.8 1512.4
1579(35) 0.000816 1198.8 1542.0
1560(35) 0.000816 1198.9 1571.6
1600(35) 0.000816 1198.9 1600.2
1652(36) 0.000772 1199. 1627.
1727(37) 0.000730 1199. 1650.
1757(37) 0.000730 1199. 1669.
1711(36) 0.000772 1199. 1683.
1750(37) 0.000730 1199. 1692.
1768(37) 0.000730 1199. 1696.
1726(37) 0.000730 1199. 1696.
1732(37) 0.000730 1199. 1692.
1703(36) 0.000772 1199. 1686.
1682(36) 0.000772 1199. 1677.
1636(36) 0.000772 1199. 1668.
1680(36) 0.000772 1199. 1658.
1654(36) 0.000772 1199. 1648.
1640(36) 0.000772 1199. 1639.
1589(35) 0.000816 1199.2 1629.8
1538(35) 0.000816 1199.3 1621.1
1555(35) 0.000816 1199.3 1612.7
1556(35) 0.000816 1199.3 1604.8
1492(34) 0.000865 1199.4 1597.4
1552(35) 0.000816 1199.4 1590.8
1563(35) 0.000816 1199.4 1585.4
1565(35) 0.000816 1199.5 1581.8
1548(35) 0.000816 1199.5 1580.1
1571(35) 0.000816 1199.5 1580.8
1613(35) 0.000816 1199.6 1583.8
1618(35) 0.000816 1199.6 1589.2
1622(35) 0.000816 1199.6 1596.6
1632(36) 0.000772 1200. 1606.
1625(35) 0.000816 1199.7 1615.7
1626(35) 0.000816 1199.7 1626.1
1609(35) 0.000816 1199.8 1635.8
1653(36) 0.000772 1200. 1644.
1609(35) 0.000816 1199.9 1649.7
1622(35) 0.000816 1199.9 1652.0
1668(36) 0.000772 1200. 1651.
1629(36) 0.000772 1200. 1645.
1651(36) 0.000772 1200. 1636.
1642(36) 0.000772 1200. 1624.
1666(36) 0.000772 1200. 1609.
1597(35) 0.000816 1200.1 1592.9
1605(35) 0.000816 1200.2 1575.8
1583(35) 0.000816 1200.2 1558.5
1573(35) 0.000816 1200.3 1541.6
1500(34) 0.000865 1200.3 1525.4
1496(34) 0.000865 1200.4 1510.1
1471(34) 0.000865 1200.4 1495.7
1486(34) 0.000865 1200.5 1482.1
1453(34) 0.000865 1200.5 1469.2
1433(33) 0.000918 1200.5 1456.6
1381(33) 0.000918 1200.6 1444.1
1446(33) 0.000918 1200.6 1431.5
1486(34) 0.000865 1200.7 1418.8
1442(33) 0.000918 1200.7 1405.9
1360(33) 0.000918 1200.8 1392.9
1374(33) 0.000918 1200.8 1380.0
1349(32) 0.000977 1200.9 1367.4
1310(32) 0.000977 1200.9 1355.1
1289(32) 0.000977 1201.0 1343.5
1360(32) 0.000977 1201.0 1332.5
1324(32) 0.000977 1201.1 1322.4
1316(32) 0.000977 1201.1 1313.2
1280(32) 0.000977 1201.2 1305.0
1312(32) 0.000977 1201.3 1297.8
1303(32) 0.000977 1201.3 1291.6
1288(32) 0.000977 1201.4 1286.5
1279(32) 0.000977 1201.4 1282.4
1266(31) 0.001041 1201.5 1279.2
1256(31) 0.001041 1201.5 1277.0
1246(31) 0.001041 1201.6 1275.6
1266(31) 0.001041 1201.6 1274.9
1251(31) 0.001041 1201.7 1275.1
1268(31) 0.001041 1201.8 1275.9
1280(32) 0.000977 1201.8 1277.3
1258(31) 0.001041 1201.9 1279.3
1260(31) 0.001041 1201.9 1281.8
1256(31) 0.001041 1202.0 1284.8
1265(31) 0.001041 1202.1 1288.2
1247(31) 0.001041 1202.1 1292.0
1279(32) 0.000977 1202.2 1296.1
1277(32) 0.000977 1202.2 1300.5
1311(32) 0.000977 1202.3 1305.2
1257(31) 0.001041 1202.4 1310.3
1274(31) 0.001041 1202.4 1315.7
1309(32) 0.000977 1202.5 1321.6
1278(32) 0.000977 1202.5 1328.0
1323(32) 0.000977 1202.6 1335.0
1332(32) 0.000977 1202.7 1342.7
1339(32) 0.000977 1202.7 1351.0
1339(32) 0.000977 1202.8 1360.1
1344(32) 0.000977 1202.9 1369.7
1321(32) 0.000977 1202.9 1379.8
1330(32) 0.000977 1203.0 1390.3
1350(32) 0.000977 1203.1 1400.8
1375(33) 0.000918 1203.1 1411.2
1351(32) 0.000977 1203.2 1421.1
1361(33) 0.000918 1203.3 1430.4
1384(33) 0.000918 1203.3 1438.7
1418(33) 0.000918 1203.4 1445.7
1403(33) 0.000918 1203.5 1451.5
1446(33) 0.000918 1203.5 1456.0
1426(33) 0.000918 1203.6 1459.3
1459(34) 0.000865 1203.7 1461.7
1479(34) 0.000865 1203.8 1463.4
1499(34) 0.000865 1203.8 1464.9
1500(34) 0.000865 1203.9 1466.3
1462(34) 0.000865 1204.0 1468.1
1486(34) 0.000865 1204.0 1470.4
1491(34) 0.000865 1204.1 1473.3
1529(34) 0.000865 1204.2 1477.0
1534(34) 0.000865 1204.3 1481.4
1488(34) 0.000865 1204.3 1486.4
1493(34) 0.000865 1204.4 1491.8
1556(35) 0.000816 1204.5 1497.5
1572(35) 0.000816 1204.5 1503.3
1531(34) 0.000865 1204.6 1508.9
1571(35) 0.000816 1204.7 1514.4
1576(35) 0.000816 1204.8 1519.8
1603(35) 0.000816 1204.8 1525.2
1613(35) 0.000816 1204.9 1530.9
1612(35) 0.000816 1205.0 1537.1
1601(35) 0.000816 1205.1 1544.0
1597(35) 0.000816 1205.1 1551.9
1616(35) 0.000816 1205.2 1560.7
1655(36) 0.000772 1205. 1570.
1622(35) 0.000816 1205.4 1581.1
1601(35) 0.000816 1205.4 1592.3
1582(35) 0.000816 1205.5 1603.9
1597(35) 0.000816 1205.6 1615.3
1571(35) 0.000816 1205.7 1626.1
1656(36) 0.000772 1206. 1636.
1642(36) 0.000772 1206. 1644.
1625(35) 0.000816 1205.9 1650.3
1619(35) 0.000816 1206.0 1654.6
1680(36) 0.000772 1206. 1657.
1653(36) 0.000772 1206. 1657.
1645(36) 0.000772 1206. 1657.
1698(36) 0.000772 1206. 1655.
1681(36) 0.000772 1206. 1652.
1624(35) 0.000816 1206.5 1648.8
1669(36) 0.000772 1207. 1646.
1608(35) 0.000816 1206.6 1642.7
1564(35) 0.000816 1206.7 1640.1
1617(35) 0.000816 1206.8 1638.0
1623(35) 0.000816 1206.9 1636.5
1596(35) 0.000816 1206.9 1635.5
1566(35) 0.000816 1207.0 1635.1
1579(36) 0.000772 1207. 1635.
1575(36) 0.000772 1207. 1636.
1549(36) 0.000772 1207. 1638.
1603(36) 0.000772 1207. 1642.
1627(37) 0.000730 1207. 1646.
1638(37) 0.000730 1208. 1652.
1600(36) 0.000772 1208. 1661.
1669(37) 0.000730 1208. 1671.
1736(38) 0.000693 1208. 1683.
1711(37) 0.000730 1208. 1698.
1748(38) 0.000693 1208. 1714.
1710(37) 0.000730 1208. 1731.
1726(38) 0.000693 1208. 1749.
1771(38) 0.000693 1208. 1767.
1765(38) 0.000693 1208. 1784.
1785(38) 0.000693 1208. 1799.
1831(39) 0.000657 1208. 1811.
1823(39) 0.000657 1209. 1820.
1762(38) 0.000693 1209. 1825.
1858(39) 0.000657 1209. 1825.
1835(39) 0.000657 1209. 1820.
1795(38) 0.000693 1209. 1811.
1819(39) 0.000657 1209. 1797.
1843(39) 0.000657 1209. 1780.
1797(38) 0.000693 1209. 1761.
1765(38) 0.000693 1209. 1740.
1722(38) 0.000693 1209. 1718.
1729(38) 0.000693 1209. 1697.
1609(36) 0.000772 1209. 1675.
1644(37) 0.000730 1210. 1655.
1660(37) 0.000730 1210. 1636.
1670(37) 0.000730 1210. 1619.
1612(36) 0.000772 1210. 1603.
1636(37) 0.000730 1210. 1588.
1580(36) 0.000772 1210. 1575.
1583(36) 0.000772 1210. 1563.
1542(36) 0.000772 1210. 1552.
1483(35) 0.000816 1210.2 1542.4
1512(35) 0.000816 1210.3 1533.4
1530(35) 0.000816 1210.4 1525.0
1572(36) 0.000772 1210. 1517.
1524(35) 0.000816 1210.5 1509.8
1506(35) 0.000816 1210.6 1502.8
1522(35) 0.000816 1210.7 1496.0
1522(35) 0.000816 1210.8 1489.4
1482(35) 0.000816 1210.9 1482.9
1514(35) 0.000816 1211.0 1476.5
1405(34) 0.000865 1211.1 1470.1
1435(34) 0.000865 1211.1 1463.9
1395(34) 0.000865 1211.2 1457.7
1374(34) 0.000865 1211.3 1451.7
1403(34) 0.000865 1211.4 1445.8
1391(34) 0.000865 1211.5 1440.1
1411(34) 0.000865 1211.6 1434.6
1424(34) 0.000865 1211.7 1429.4
1443(34) 0.000865 1211.7 1424.6
1389(34) 0.000865 1211.8 1420.2
1369(34) 0.000865 1211.9 1416.2
1366(33) 0.000918 1212.0 1412.9
1367(34) 0.000865 1212.1 1410.0
1377(34) 0.000865 1212.2 1407.7
1377(34) 0.000865 1212.3 1406.0
1403(34) 0.000865 1212.3 1404.7
1383(34) 0.000865 1212.4 1404.0
1408(34) 0.000865 1212.5 1403.7
1395(34) 0.000865 1212.6 1403.7
1394(34) 0.000865 1212.7 1404.2
1387(34) 0.000865 1212.8 1405.1
1322(33) 0.000918 1212.8 1406.4
1392(34) 0.000865 1212.9 1408.2
1400(34) 0.000865 1213.0 1410.4
1414(34) 0.000865 1213.1 1413.3
1420(34) 0.000865 1213.2 1416.7
1352(33) 0.000918 1213.3 1420.8
1416(34) 0.000865 1213.3 1425.5
1401(34) 0.000865 1213.4 1430.8
1333(33) 0.000918 1213.5 1436.6
1395(34) 0.000865 1213.6 1442.9
1416(34) 0.000865 1213.7 1449.4
1466(35) 0.000816 1213.8 1455.9
1490(35) 0.000816 1213.9 1462.4
1482(35) 0.000816 1213.9 1468.6
1484(35) 0.000816 1214.0 1474.1
1488(35) 0.000816 1214.1 1478.9
1464(35) 0.000816 1214.2 1482.5
1504(35) 0.000816 1214.3 1484.7
1525(35) 0.000816 1214.3 1485.4
1517(35) 0.000816 1214.4 1484.5
1471(35) 0.000816 1214.5 1481.9
1475(35) 0.000816 1214.6 1477.7
1453(35) 0.000816 1214.7 1472.1
1482(35) 0.000816 1214.8 1465.3
1463(35) 0.000816 1214.8 1457.6
1470(35) 0.000816 1214.9 1449.3
1453(35) 0.000816 1215.0 1440.7
1434(34) 0.000865 1215.1 1432.0
1419(34) 0.000865 1215.2 1423.5
1454(35) 0.000816 1215.2 1415.2
1404(34) 0.000865 1215.3 1407.5
1397(28) 0.001276 1215.4 1400.4
1342(34) 0.000865 1215.5 1394.1
1441(35) 0.000816 1215.6 1388.5
1394(35) 0.000816 1215.7 1383.9
1387(35) 0.000816 1215.7 1380.1
1342(34) 0.000865 1215.8 1377.5
1389(35) 0.000816 1215.9 1375.8
1386(35) 0.000816 1216.0 1375.3
1293(33) 0.000918 1216.0 1375.8
1379(34) 0.000865 1216.1 1377.4
1360(34) 0.000865 1216.2 1380.0
1398(35) 0.000816 1216.3 1383.6
1387(35) 0.000816 1216.4 1388.1
1406(35) 0.000816 1216.4 1393.3
1390(35) 0.000816 1216.5 1399.1
1419(35) 0.000816 1216.6 1405.5
1400(35) 0.000816 1216.7 1412.1
1470(36) 0.000772 1217. 1419.
1449(35) 0.000816 1216.8 1425.6
1484(36) 0.000772 1217. 1432.
1493(36) 0.000772 1217. 1438.
1437(35) 0.000816 1217.1 1443.5
1430(35) 0.000816 1217.1 1448.3
1502(36) 0.000772 1217. 1452.
1433(35) 0.000816 1217.3 1455.8
1496(36) 0.000772 1217. 1458.
1415(35) 0.000816 1217.4 1460.4
1458(35) 0.000816 1217.5 1461.7
1493(36) 0.000772 1218. 1463.
1447(35) 0.000816 1217.7 1462.9
1442(35) 0.000816 1217.7 1462.8
1464(35) 0.000816 1217.8 1462.3
1414(35) 0.000816 1217.9 1461.4
1462(35) 0.000816 1217.9 1460.3
1459(35) 0.000816 1218.0 1459.0
1496(36) 0.000772 1218. 1458.
1446(35) 0.000816 1218.2 1456.0
1454(35) 0.000816 1218.2 1454.7
1405(35) 0.000816 1218.3 1453.5
1414(35) 0.000816 1218.4 1452.6
1356(34) 0.000865 1218.4 1452.2
1459(35) 0.000816 1218.5 1452.4
1437(35) 0.000816 1218.6 1453.3
1442(35) 0.000816 1218.7 1454.9
1444(35) 0.000816 1218.7 1457.4
1443(35) 0.000816 1218.8 1460.7
1448(35) 0.000816 1218.9 1464.8
1492(36) 0.000772 1219. 1470.
1500(36) 0.000772 1219. 1475.
1482(36) 0.000772 1219. 1481.
1530(36) 0.000772 1219. 1487.
1467(36) 0.000772 1219. 1493.
1506(36) 0.000772 1219. 1499.
1466(36) 0.000772 1219. 1504.
1491(36) 0.000772 1219. 1509.
1542(36) 0.000772 1219. 1512.
1529(36) 0.000772 1220. 1514.
1515(36) 0.000772 1220. 1514.
1474(36) 0.000772 1220. 1512.
1521(36) 0.000772 1220. 1509.
1487(36) 0.000772 1220. 1505.
1491(36) 0.000772 1220. 1499.
1511(36) 0.000772 1220. 1492.
1509(36) 0.000772 1220. 1484.
1468(36) 0.000772 1220. 1476.
1555(37) 0.000730 1220. 1468.
1497(36) 0.000772 1220. 1460.
1513(36) 0.000772 1220. 1452.
1449(35) 0.000816 1220.3 1444.5
1469(36) 0.000772 1220. 1438.
1454(35) 0.000816 1220.4 1432.3
1455(35) 0.000816 1220.5 1427.6
1374(34) 0.000865 1220.5 1424.0
1445(35) 0.000816 1220.6 1421.5
1478(36) 0.000772 1221. 1420.
1414(35) 0.000816 1220.7 1419.8
1464(36) 0.000772 1221. 1421.
1445(35) 0.000816 1220.8 1422.4
1447(35) 0.000816 1220.9 1425.2
1437(35) 0.000816 1220.9 1428.8
1431(35) 0.000816 1221.0 1433.3
1460(35) 0.000816 1221.1 1438.4
1463(35) 0.000816 1221.1 1444.1
1462(35) 0.000816 1221.2 1450.3
1431(35) 0.000816 1221.2 1456.6
1453(35) 0.000816 1221.3 1463.1
1471(36) 0.000772 1221. 1469.
1519(36) 0.000772 1221. 1475.
1488(36) 0.000772 1221. 1481.
1471(36) 0.000772 1221. 1486.
1438(35) 0.000816 1221.5 1489.9
1468(36) 0.000772 1222. 1493.
1533(36) 0.000772 1222. 1495.
1502(36) 0.000772 1222. 1496.
1494(36) 0.000772 1222. 1495.
1496(36) 0.000772 1222. 1494.
1395(35) 0.000816 1221.8 1492.2
1500(36) 0.000772 1222. 1490.
1528(36) 0.000772 1222. 1487.
1431(35) 0.000816 1222.0 1483.3
1455(35) 0.000816 1222.0 1480.1
1474(34) 0.000865 1222.1 1477.0
1494(35) 0.000816 1222.1 1474.3
1392(34) 0.000865 1222.2 1472.0
1443(34) 0.000865 1222.2 1470.3
1471(34) 0.000865 1222.3 1469.1
1492(35) 0.000816 1222.3 1468.6
1505(35) 0.000816 1222.4 1468.8
1538(35) 0.000816 1222.4 1469.6
1454(34) 0.000865 1222.5 1471.1
1512(35) 0.000816 1222.5 1473.1
1495(35) 0.000816 1222.5 1475.7
1458(34) 0.000865 1222.6 1478.8
1451(34) 0.000865 1222.6 1482.4
1491(35) 0.000816 1222.7 1486.4
1507(35) 0.000816 1222.7 1490.8
1474(34) 0.000865 1222.8 1495.4
1471(34) 0.000865 1222.8 1500.2
1444(34) 0.000865 1222.8 1505.1
1468(34) 0.000865 1222.9 1509.9
1469(34) 0.000865 1222.9 1514.6
1487(35) 0.000816 1223.0 1519.0
1446(34) 0.000865 1223.0 1522.9
1478(35) 0.000816 1223.0 1526.3
1515(35) 0.000816 1223.1 1529.1
1561(35) 0.000816 1223.1 1531.1
1490(35) 0.000816 1223.1 1532.2
1488(35) 0.000816 1223.2 1532.6
1520(35) 0.000816 1223.2 1532.1
1585(36) 0.000772 1223. 1531.
1529(35) 0.000816 1223.3 1528.7
1493(35) 0.000816 1223.3 1526.1
1477(35) 0.000816 1223.4 1523.0
1547(35) 0.000816 1223.4 1519.6
1491(35) 0.000816 1223.4 1516.1
1484(35) 0.000816 1223.5 1512.7
1489(35) 0.000816 1223.5 1509.5
1522(35) 0.000816 1223.5 1506.7
1507(35) 0.000816 1223.6 1504.4
1516(35) 0.000816 1223.6 1502.7
1530(35) 0.000816 1223.6 1501.6
1470(34) 0.000865 1223.6 1501.2
1494(35) 0.000816 1223.7 1501.4
1551(35) 0.000816 1223.7 1502.2
1507(35) 0.000816 1223.7 1503.6
1550(35) 0.000816 1223.8 1505.5
1529(35) 0.000816 1223.8 1507.8
1500(35) 0.000816 1223.8 1510.3
1513(35) 0.000816 1223.8 1513.1
1509(35) 0.000816 1223.9 1516.1
1485(35) 0.000816 1223.9 1519.1
1534(35) 0.000816 1223.9 1522.2
1546(35) 0.000816 1223.9 1525.2
1488(35) 0.000816 1224.0 1528.2
1513(35) 0.000816 1224.0 1531.1
1500(35) 0.000816 1224.0 1533.8
1568(36) 0.000772 1224. 1536.
1557(35) 0.000816 1224.1 1538.8
1472(34) 0.000865 1224.1 1540.8
1508(35) 0.000816 1224.1 1542.6
1521(35) 0.000816 1224.1 1544.0
1584(36) 0.000772 1224. 1545.
1514(35) 0.000816 1224.2 1545.4
1578(36) 0.000772 1224. 1545.
1502(35) 0.000816 1224.2 1544.6
1565(36) 0.000772 1224. 1543.
1574(36) 0.000772 1224. 1541.
1606(36) 0.000772 1224. 1539.
1601(36) 0.000772 1224. 1535.
1574(36) 0.000772 1224. 1531.
1531(35) 0.000816 1224.3 1526.8
1488(35) 0.000816 1224.4 1521.5
1483(35) 0.000816 1224.4 1515.8
1477(35) 0.000816 1224.4 1509.7
1508(35) 0.000816 1224.4 1503.4
1557(35) 0.000816 1224.4 1497.0
1487(35) 0.000816 1224.4 1490.7
1475(34) 0.000865 1224.4 1484.7
1501(35) 0.000816 1224.5 1479.1
1504(35) 0.000816 1224.5 1474.0
1442(34) 0.000865 1224.5 1469.4
1496(35) 0.000816 1224.5 1465.6
1488(35) 0.000816 1224.5 1462.7
1442(34) 0.000865 1224.5 1460.5
1460(34) 0.000865 1224.5 1459.4
1468(34) 0.000865 1224.6 1459.2
1431(34) 0.000865 1224.6 1460.0
1443(34) 0.000865 1224.6 1461.8
1404(34) 0.000865 1224.6 1464.6
1405(34) 0.000865 1224.6 1468.4
1494(35) 0.000816 1224.6 1473.1
1466(34) 0.000865 1224.6 1478.7
1506(35) 0.000816 1224.6 1485.0
1441(34) 0.000865 1224.6 1491.9
1555(35) 0.000816 1224.6 1499.3
1440(34) 0.000865 1224.7 1507.0
1498(35) 0.000816 1224.7 1515.0
1551(35) 0.000816 1224.7 1522.9
1534(35) 0.000816 1224.7 1530.7
1551(35) 0.000816 1224.7 1538.2
1583(51) 0.000384 1225. 1545.
1510(34) 0.000865 1224.7 1551.6
1538(35) 0.000816 1224.7 1557.3
1546(35) 0.000816 1224.7 1562.1
1591(35) 0.000816 1224.7 1566.0
1544(35) 0.000816 1224.7 1568.8
1520(34) 0.000865 1224.7 1570.5
1568(35) 0.000816 1224.7 1571.2
1582(35) 0.000816 1224.7 1570.7
1599(35) 0.000816 1224.7 1569.2
1575(35) 0.000816 1224.7 1566.7
1545(35) 0.000816 1224.7 1563.4
1521(34) 0.000865 1224.7 1559.4
1586(35) 0.000816 1224.7 1554.8
1575(35) 0.000816 1224.7 1549.9
1575(35) 0.000816 1224.7 1544.7
1551(35) 0.000816 1224.7 1539.4
1562(35) 0.000816 1224.7 1534.2
1570(35) 0.000816 1224.7 1529.2
1522(34) 0.000865 1224.7 1524.4
1528(35) 0.000816 1224.7 1519.9
1533(35) 0.000816 1224.7 1515.7
1565(35) 0.000816 1224.7 1512.0
1542(35) 0.000816 1224.7 1508.6
1560(35) 0.000816 1224.7 1505.6
1512(34) 0.000865 1224.7 1503.0
1520(34) 0.000865 1224.7 1500.7
1509(34) 0.000865 1224.7 1498.7
1505(34) 0.000865 1224.7 1497.0
1477(34) 0.000865 1224.7 1495.6
1470(34) 0.000865 1224.7 1494.4
1499(34) 0.000865 1224.7 1493.3
1479(34) 0.000865 1224.7 1492.4
1445(34) 0.000865 1224.7 1491.6
1493(34) 0.000865 1224.7 1490.8
1492(34) 0.000865 1224.7 1489.9
1454(34) 0.000865 1224.7 1489.0
1492(34) 0.000865 1224.7 1487.8
1471(34) 0.000865 1224.7 1486.5
1480(34) 0.000865 1224.7 1484.9
1496(34) 0.000865 1224.7 1483.0
1474(34) 0.000865 1224.7 1480.8
1452(34) 0.000865 1224.7 1478.3
1463(34) 0.000865 1224.7 1475.5
1443(34) 0.000865 1224.7 1472.4
1466(34) 0.000865 1224.7 1469.0
1457(34) 0.000865 1224.7 1465.4
1458(34) 0.000865 1224.7 1461.6
1492(34) 0.000865 1224.7 1457.7
1444(34) 0.000865 1224.7 1453.6
1450(34) 0.000865 1224.6 1449.4
1425(33) 0.000918 1224.6 1445.3
1393(33) 0.000918 1224.6 1441.2
1422(33) 0.000918 1224.6 1437.2
1455(34) 0.000865 1224.6 1433.3
1448(34) 0.000865 1224.6 1429.7
1468(34) 0.000865 1224.6 1426.3
1392(33) 0.000918 1224.6 1423.3
1387(33) 0.000918 1224.6 1420.5
1421(33) 0.000918 1224.6 1418.2
1375(33) 0.000918 1224.6 1416.2
1418(33) 0.000918 1224.6 1414.6
1474(34) 0.000865 1224.6 1413.5
1413(33) 0.000918 1224.6 1412.9
1418(33) 0.000918 1224.6 1412.7
1425(33) 0.000918 1224.6 1413.0
1455(34) 0.000865 1224.5 1413.8
1411(33) 0.000918 1224.5 1415.1
1481(34) 0.000865 1224.5 1417.0
1457(34) 0.000865 1224.5 1419.4
1433(33) 0.000918 1224.5 1422.3
1463(34) 0.000865 1224.5 1425.8
1458(34) 0.000865 1224.5 1429.7
1488(34) 0.000865 1224.5 1434.2
1459(34) 0.000865 1224.5 1439.1
1475(34) 0.000865 1224.5 1444.4
1489(34) 0.000865 1224.5 1450.1
1517(34) 0.000865 1224.5 1456.1
1488(34) 0.000865 1224.5 1462.3
1525(35) 0.000816 1224.5 1468.6
1517(34) 0.000865 1224.5 1474.9
1526(35) 0.000816 1224.4 1481.2
1498(34) 0.000865 1224.4 1487.3
1534(35) 0.000816 1224.4 1493.0
1555(35) 0.000816 1224.4 1498.4
1539(35) 0.000816 1224.4 1503.2
1544(35) 0.000816 1224.4 1507.3
1475(34) 0.000865 1224.4 1510.7
1492(34) 0.000865 1224.4 1513.4
1515(34) 0.000865 1224.4 1515.2
1528(35) 0.000816 1224.4 1516.1
1567(35) 0.000816 1224.4 1516.3
1564(35) 0.000816 1224.4 1515.8
1569(35) 0.000816 1224.4 1514.6
1554(35) 0.000816 1224.4 1512.8
1581(35) 0.000816 1224.4 1510.7
1583(35) 0.000816 1224.4 1508.4
1589(35) 0.000816 1224.4 1506.0
1608(35) 0.000816 1224.4 1503.6
1525(35) 0.000816 1224.4 1501.4
1528(28) 0.001276 1224.4 1499.6
1533(35) 0.000816 1224.4 1498.2
1549(35) 0.000816 1224.4 1497.4
1553(35) 0.000816 1224.4 1497.3
1508(34) 0.000865 1224.4 1497.8
1529(35) 0.000816 1224.3 1499.2
1583(35) 0.000816 1224.3 1501.4
1525(35) 0.000816 1224.3 1504.4
1526(35) 0.000816 1224.3 1508.3
1527(35) 0.000816 1224.3 1513.1
1542(35) 0.000816 1224.3 1518.7
1548(35) 0.000816 1224.4 1525.0
1549(35) 0.000816 1224.4 1532.0
1562(35) 0.000816 1224.4 1539.6
1549(35) 0.000816 1224.4 1547.7
1540(35) 0.000816 1224.4 1556.2
1546(35) 0.000816 1224.4 1564.9
1558(35) 0.000816 1224.4 1573.7
1565(35) 0.000816 1224.4 1582.5
1577(35) 0.000816 1224.4 1591.1
1621(36) 0.000772 1224. 1599.
1628(36) 0.000772 1224. 1607.
1614(36) 0.000772 1224. 1614.
1576(35) 0.000816 1224.4 1620.7
1627(36) 0.000772 1224. 1626.
1636(36) 0.000772 1224. 1631.
1627(36) 0.000772 1224. 1635.
1621(36) 0.000772 1224. 1638.
1636(36) 0.000772 1224. 1639.
1617(36) 0.000772 1224. 1640.
1652(36) 0.000772 1224. 1640.
1642(36) 0.000772 1224. 1639.
1610(36) 0.000772 1224. 1638.
1639(36) 0.000772 1224. 1635.
1614(36) 0.000772 1225. 1632.
1621(36) 0.000772 1225. 1628.
1614(36) 0.000772 1225. 1624.
1642(36) 0.000772 1225. 1620.
1669(36) 0.000772 1225. 1615.
1600(35) 0.000816 1224.6 1609.7
1649(36) 0.000772 1225. 1604.
1608(35) 0.000816 1224.6 1598.8
1609(35) 0.000816 1224.6 1593.1
1633(36) 0.000772 1225. 1587.
1576(35) 0.000816 1224.7 1581.4
1561(35) 0.000816 1224.7 1575.5
1592(35) 0.000816 1224.7 1569.5
1613(36) 0.000772 1225. 1564.
1552(35) 0.000816 1224.8 1557.6
1540(35) 0.000816 1224.8 1551.7
1536(35) 0.000816 1224.8 1545.8
1548(35) 0.000816 1224.8 1540.0
1534(35) 0.000816 1224.9 1534.3
1545(35) 0.000816 1224.9 1528.7
1496(34) 0.000865 1224.9 1523.3
1532(35) 0.000816 1224.9 1518.1
1528(35) 0.000816 1225.0 1513.0
1497(34) 0.000865 1225.0 1508.2
1497(34) 0.000865 1225.0 1503.6
1497(34) 0.000865 1225.1 1499.3
1516(34) 0.000865 1225.1 1495.3
1486(34) 0.000865 1225.1 1491.5
1484(34) 0.000865 1225.2 1488.0
1534(35) 0.000816 1225.2 1484.8
1485(34) 0.000865 1225.2 1481.9
1486(34) 0.000865 1225.3 1479.2
1446(34) 0.000865 1225.3 1476.9
1482(34) 0.000865 1225.4 1474.8
1497(34) 0.000865 1225.4 1473.0
1458(34) 0.000865 1225.4 1471.4
1513(34) 0.000865 1225.5 1470.2
1505(34) 0.000865 1225.5 1469.2
1477(34) 0.000865 1225.6 1468.5
1513(34) 0.000865 1225.6 1468.1
1490(34) 0.000865 1225.7 1468.0
1485(34) 0.000865 1225.7 1468.3
1487(34) 0.000865 1225.8 1468.9
1458(34) 0.000865 1225.8 1469.9
1503(34) 0.000865 1225.9 1471.3
1478(34) 0.000865 1225.9 1473.1
1517(34) 0.000865 1226.0 1475.2
1498(34) 0.000865 1226.1 1477.7
1492(34) 0.000865 1226.1 1480.6
1524(35) 0.000816 1226.2 1483.9
1534(35) 0.000816 1226.2 1487.4
1496(34) 0.000865 1226.3 1491.3
1518(35) 0.000816 1226.4 1495.4
1510(34) 0.000865 1226.4 1499.7
1539(35) 0.000816 1226.5 1504.1
1569(35) 0.000816 1226.6 1508.6
1542(35) 0.000816 1226.6 1513.1
1533(35) 0.000816 1226.7 1517.5
1543(35) 0.000816 1226.8 1521.8
1534(35) 0.000816 1226.8 1525.9
1514(34) 0.000865 1226.9 1529.6
1512(34) 0.000865 1227.0 1533.0
1548(35) 0.000816 1227.1 1535.8
1498(34) 0.000865 1227.2 1538.1
1508(34) 0.000865 1227.2 1539.9
1542(35) 0.000816 1227.3 1541.0
1501(34) 0.000865 1227.4 1541.4
1530(35) 0.000816 1227.5 1541.2
1498(35) 0.000816 1227.6 1540.2
1533(35) 0.000816 1227.7 1538.7
1598(36) 0.000772 1228. 1537.
1541(35) 0.000816 1227.9 1533.8
1506(35) 0.000816 1228.0 1530.5
1495(35) 0.000816 1228.1 1526.8
1485(35) 0.000816 1228.1 1522.7
1473(34) 0.000865 1228.2 1518.3
1504(35) 0.000816 1228.4 1513.6
1468(34) 0.000865 1228.5 1508.7
1473(34) 0.000865 1228.6 1503.6
1473(34) 0.000865 1228.7 1498.5
1463(34) 0.000865 1228.8 1493.2
1434(34) 0.000865 1228.9 1488.0
1450(34) 0.000865 1229.0 1482.8
1453(34) 0.000865 1229.1 1477.7
1465(34) 0.000865 1229.2 1472.6
1444(34) 0.000865 1229.4 1467.7
1443(34) 0.000865 1229.5 1462.9
1451(34) 0.000865 1229.6 1458.3
1408(34) 0.000865 1229.7 1453.8
1443(34) 0.000865 1229.9 1449.5
1391(34) 0.000865 1230.0 1445.4
1386(33) 0.000918 1230.1 1441.5
1404(34) 0.000865 1230.2 1437.8
1398(34) 0.000865 1230.4 1434.4
1374(33) 0.000918 1230.5 1431.1
1423(34) 0.000865 1230.7 1428.1
1402(34) 0.000865 1230.8 1425.3
1397(34) 0.000865 1230.9 1422.8
1403(34) 0.000865 1231.1 1420.5
1396(34) 0.000865 1231.2 1418.5
1449(34) 0.000865 1231.4 1416.7
1419(34) 0.000865 1231.5 1415.2
1407(34) 0.000865 1231.7 1413.9
1413(34) 0.000865 1231.9 1412.9
1399(34) 0.000865 1232.0 1412.2
1405(34) 0.000865 1232.2 1411.7
1429(34) 0.000865 1232.3 1411.4
1408(34) 0.000865 1232.5 1411.3
1394(34) 0.000865 1232.7 1411.5
1405(34) 0.000865 1232.8 1411.8
1437(34) 0.000865 1233.0 1412.3
1361(33) 0.000918 1233.2 1413.0
1418(34) 0.000865 1233.4 1413.8
1412(34) 0.000865 1233.6 1414.8
1446(34) 0.000865 1233.7 1415.9
1426(34) 0.000865 1233.9 1417.1
1470(34) 0.000865 1234.1 1418.4
1461(34) 0.000865 1234.3 1419.8
1431(34) 0.000865 1234.5 1421.3
1435(34) 0.000865 1234.7 1422.8
1405(34) 0.000865 1234.9 1424.3
1440(34) 0.000865 1235.1 1425.9
1417(34) 0.000865 1235.3 1427.4
1399(34) 0.000865 1235.5 1428.9
1435(34) 0.000865 1235.7 1430.4
1442(34) 0.000865 1235.9 1431.8
1427(34) 0.000865 1236.2 1433.0
1409(34) 0.000865 1236.4 1434.2
1414(34) 0.000865 1236.6 1435.2
1475(34) 0.000865 1236.8 1435.9
1456(34) 0.000865 1237.1 1436.5
1436(34) 0.000865 1237.3 1436.8
1422(34) 0.000865 1237.5 1436.9
1449(34) 0.000865 1237.8 1436.7
1443(34) 0.000865 1238.0 1436.2
1455(34) 0.000865 1238.2 1435.5
1424(34) 0.000865 1238.5 1434.4
1398(34) 0.000865 1238.7 1433.1
1433(34) 0.000865 1239.0 1431.5
1408(34) 0.000865 1239.2 1429.6
1409(34) 0.000865 1239.5 1427.6
1421(34) 0.000865 1239.8 1425.3
1404(34) 0.000865 1240.0 1422.9
1402(34) 0.000865 1240.3 1420.3
1455(34) 0.000865 1240.6 1417.7
1430(34) 0.000865 1240.8 1415.0
1383(33) 0.000918 1241.1 1412.3
1380(33) 0.000918 1241.4 1409.6
1399(34) 0.000865 1241.7 1407.0
1373(33) 0.000918 1242.0 1404.5
1424(34) 0.000865 1242.3 1402.2
1370(33) 0.000918 1242.6 1400.1
1381(33) 0.000918 1242.9 1398.1
1394(34) 0.000865 1243.2 1396.5
1384(33) 0.000918 1243.5 1395.1
1398(34) 0.000865 1243.8 1394.1
1345(33) 0.000918 1244.1 1393.4
1391(34) 0.000865 1244.4 1393.1
1416(34) 0.000865 1244.7 1393.2
1362(33) 0.000918 1245.0 1393.6
1361(33) 0.000918 1245.4 1394.6
1360(33) 0.000918 1245.7 1395.9
1355(33) 0.000918 1246.0 1397.7
1350(33) 0.000918 1246.4 1400.0
1352(33) 0.000918 1246.7 1402.7
1381(33) 0.000918 1247.1 1406.0
1378(33) 0.000918 1247.4 1409.6
1400(34) 0.000865 1247.8 1413.8
1397(34) 0.000865 1248.1 1418.4
1367(33) 0.000918 1248.5 1423.4
1406(34) 0.000865 1248.8 1428.9
1414(34) 0.000865 1249.2 1434.8
1408(34) 0.000865 1249.6 1441.1
1402(34) 0.000865 1250.0 1447.8
1429(34) 0.000865 1250.3 1454.9
1470(35) 0.000816 1250.7 1462.3
1500(35) 0.000816 1251.1 1469.9
1446(34) 0.000865 1251.5 1477.9
1458(34) 0.000865 1251.9 1486.1
1476(35) 0.000816 1252.3 1494.4
1462(34) 0.000865 1252.7 1502.9
1493(35) 0.000816 1253.1 1511.6
1495(35) 0.000816 1253.5 1520.2
1451(34) 0.000865 1253.9 1528.9
1486(35) 0.000816 1254.4 1537.6
1494(35) 0.000816 1254.8 1546.2
1515(35) 0.000816 1255.2 1554.6
1516(35) 0.000816 1255.6 1562.8
1559(35) 0.000816 1256.1 1570.8
1584(36) 0.000772 1257. 1579.
1550(35) 0.000816 1257.0 1585.9
1569(36) 0.000772 1257. 1593.
1595(36) 0.000772 1258. 1599.
1609(36) 0.000772 1258. 1606.
1637(36) 0.000772 1259. 1611.
1601(36) 0.000772 1259. 1617.
1607(36) 0.000772 1260. 1621.
1591(36) 0.000772 1260. 1625.
1587(36) 0.000772 1261. 1629.
1556(35) 0.000816 1261.2 1632.5
1561(36) 0.000772 1262. 1635.
1594(36) 0.000772 1262. 1638.
1668(37) 0.000730 1263. 1640.
1633(36) 0.000772 1263. 1641.
1619(36) 0.000772 1264. 1642.
1638(36) 0.000772 1264. 1643.
1634(36) 0.000772 1265. 1643.
1645(36) 0.000772 1265. 1644.
1623(36) 0.000772 1266. 1643.
1635(36) 0.000772 1266. 1643.
1647(36) 0.000772 1267. 1642.
1571(36) 0.000772 1267. 1641.
1606(36) 0.000772 1268. 1639.
1609(36) 0.000772 1269. 1637.
1641(36) 0.000772 1269. 1636.
1649(36) 0.000772 1270. 1633.
1642(36) 0.000772 1270. 1631.
1670(37) 0.000730 1271. 1629.
1662(37) 0.000730 1271. 1626.
1634(36) 0.000772 1272. 1623.
1618(36) 0.000772 1273. 1620.
1641(36) 0.000772 1273. 1617.
1613(36) 0.000772 1274. 1614.
1583(36) 0.000772 1274. 1611.
1636(36) 0.000772 1275. 1608.
1632(36) 0.000772 1276. 1604.
1612(36) 0.000772 1276. 1601.
1563(36) 0.000772 1277. 1598.
1550(35) 0.000816 1277.5 1595.1
1590(36) 0.000772 1278. 1592.
1575(36) 0.000772 1279. 1589.
1572(36) 0.000772 1279. 1587.
1576(36) 0.000772 1280. 1584.
1648(36) 0.000772 1281. 1582.
1641(36) 0.000772 1281. 1580.
1574(36) 0.000772 1282. 1578.
1606(36) 0.000772 1283. 1577.
1618(36) 0.000772 1284. 1575.
1599(36) 0.000772 1284. 1574.
1594(36) 0.000772 1285. 1573.
1586(36) 0.000772 1286. 1573.
1577(36) 0.000772 1286. 1572.
1593(36) 0.000772 1287. 1572.
1595(36) 0.000772 1288. 1572.
1603(36) 0.000772 1289. 1572.
1556(35) 0.000816 1289.3 1572.8
1546(35) 0.000816 1290.0 1573.4
1581(36) 0.000772 1291. 1574.
1522(35) 0.000816 1291.5 1575.1
1550(35) 0.000816 1292.3 1576.2
1584(36) 0.000772 1293. 1577.
1583(36) 0.000772 1294. 1579.
1632(36) 0.000772 1295. 1580.
1655(37) 0.000730 1295. 1582.
1633(36) 0.000772 1296. 1583.
1611(36) 0.000772 1297. 1585.
1603(36) 0.000772 1298. 1587.
1590(36) 0.000772 1299. 1589.
1616(36) 0.000772 1299. 1591.
1612(36) 0.000772 1300. 1593.
1606(36) 0.000772 1301. 1595.
1620(36) 0.000772 1302. 1598.
1661(37) 0.000730 1303. 1600.
1663(37) 0.000730 1304. 1603.
1691(37) 0.000730 1304. 1606.
1663(37) 0.000730 1305. 1609.
1637(30) 0.001111 1306.2 1612.0
1614(36) 0.000772 1307. 1615.
1631(36) 0.000772 1308. 1619.
1650(36) 0.000772 1309. 1622.
1668(37) 0.000730 1310. 1626.
1680(37) 0.000730 1311. 1630.
1706(37) 0.000730 1312. 1633.
1667(37) 0.000730 1312. 1637.
1633(36) 0.000772 1313. 1642.
1670(37) 0.000730 1314. 1646.
1700(37) 0.000730 1315. 1650.
1731(37) 0.000730 1316. 1654.
1705(37) 0.000730 1317. 1658.
1669(37) 0.000730 1318. 1663.
1671(37) 0.000730 1319. 1667.
1720(37) 0.000730 1320. 1672.
1735(37) 0.000730 1321. 1676.
1699(37) 0.000730 1322. 1680.
1698(37) 0.000730 1323. 1685.
1694(37) 0.000730 1324. 1689.
1689(37) 0.000730 1325. 1693.
1713(37) 0.000730 1326. 1697.
1741(37) 0.000730 1327. 1702.
1766(38) 0.000693 1328. 1706.
1724(37) 0.000730 1329. 1710.
1698(37) 0.000730 1330. 1714.
1727(37) 0.000730 1331. 1717.
1747(37) 0.000730 1332. 1721.
1751(37) 0.000730 1333. 1725.
1701(37) 0.000730 1335. 1728.
1704(37) 0.000730 1336. 1732.
1754(38) 0.000693 1337. 1735.
1757(38) 0.000693 1338. 1738.
1759(38) 0.000693 1339. 1741.
1784(38) 0.000693 1340. 1744.
1750(37) 0.000730 1341. 1747.
1733(37) 0.000730 1342. 1750.
1722(37) 0.000730 1343. 1752.
1715(37) 0.000730 1345. 1754.
1738(37) 0.000730 1346. 1756.
1799(38) 0.000693 1347. 1758.
1769(38) 0.000693 1348. 1760.
1702(37) 0.000730 1349. 1761.
1725(37) 0.000730 1351. 1762.
1732(37) 0.000730 1352. 1763.
1741(37) 0.000730 1353. 1764.
1733(37) 0.000730 1354. 1764.
1713(37) 0.000730 1355. 1764.
1753(38) 0.000693 1357. 1764.
1774(38) 0.000693 1358. 1764.
1783(38) 0.000693 1359. 1764.
1774(38) 0.000693 1360. 1763.
1788(38) 0.000693 1362. 1762.
1782(38) 0.000693 1363. 1761.
1772(38) 0.000693 1364. 1760.
1778(38) 0.000693 1365. 1759.
1754(38) 0.000693 1367. 1758.
1743(37) 0.000730 1368. 1756.
1750(37) 0.000730 1369. 1755.
1759(38) 0.000693 1371. 1753.
1774(38) 0.000693 1372. 1751.
1806(38) 0.000693 1373. 1750.
1741(37) 0.000730 1375. 1748.
1767(38) 0.000693 1376. 1747.
1758(38) 0.000693 1378. 1745.
1713(37) 0.000730 1379. 1744.
1718(37) 0.000730 1380. 1742.
1735(37) 0.000730 1382. 1741.
1699(37) 0.000730 1383. 1740.
1691(37) 0.000730 1385. 1739.
1723(37) 0.000730 1386. 1738.
1757(38) 0.000693 1387. 1737.
1744(37) 0.000730 1389. 1737.
1744(37) 0.000730 1390. 1736.
1741(37) . . .
1733(37) . . .
1748(37) . . .
1746(37) . . .
1734(37) . . .
1755(38) . . .
1751(37) . . .
1744(37) . . .
1748(37) . . .
1750(37) . . .
1781(38) . . .
1785(38) . . .
1757(38) . . .
1761(38) . . .
1739(37) . . .
1740(37) . . .
1764(38) . . .
1736(37) . . .
1751(37) . . .
1730(37) . . .
1761(38) . . .
1809(38) . . .
1816(38) . . .
1823(38) . . .
1797(38) . . .
1758(38) . . .
1809(39) . . .
1766(38) . . .
1768(38) . . .
1810(39) . . .
1803(39) . . .
1855(39) . . .
1831(39) . . .
1783(38) . . .
1850(39) . . .
1860(39) . . .
1821(39) . . .
1785(39) . . .
1867(39) . . .
1879(39) . . .
1821(39) . . .
1764(38) . . .
1804(39) . . .
1878(39) . . .
1864(39) . . .
1806(39) . . .
1845(39) . . .
1895(40) . . .
1874(39) . . .
1885(40) . . .
1848(39) . . .
1831(39) . . .
1845(39) . . .
1830(39) . . .
1823(39) . . .
1855(39) . . .
1907(40) . . .
1834(39) . . .
1867(39) . . .
1853(39) . . .
1854(39) . . .
1872(39) . . .
1863(39) . . .
1800(39) . . .
1810(39) . . .
1811(39) . . .
1845(39) . . .
1827(39) . . .
1855(39) . . .
1831(39) . . .
1824(39) . . .
1843(39) . . .
1858(39) . . .
1875(39) . . .
1883(39) . . .
1875(39) . . .
1866(39) . . .
1819(39) . . .
1853(39) . . .
1880(39) . . .
1862(39) . . .
1880(39) . . .
1902(40) . . .
1861(39) . . .
1832(39) . . .
1863(39) . . .
1915(40) . . .
1884(40) . . .
1876(39) . . .
1939(40) . . .
1951(40) . . .
1912(40) . . .
1927(40) . . .
1895(40) . . .
1897(40) . . .
1953(40) . . .
1918(40) . . .
1927(40) . . .
1990(41) . . .
2014(41) . . .
1904(40) . . .
1895(40) . . .
1918(40) . . .
1933(40) . . .
1978(40) . . .
1942(40) . . .
1963(40) . . .
1997(41) . . .
1997(41) . . .
2008(41) . . .
1995(41) . . .
2028(41) . . .
2046(41) . . .
2002(41) . . .
2060(41) . . .
2094(42) . . .
2006(41) . . .
2030(41) . . .
2064(41) . . .
2047(41) . . .
2066(41) . . .
2016(41) . . .
2052(41) . . .
2098(42) . . .
2127(42) . . .
2097(42) . . .
2084(60) . . .
2104(60) . . .
2138(61) . . .
2157(61) . . .
2076(60) . . .
2095(60) . . .
2096(60) . . .
2131(61) . . .
2141(61) . . .
2186(61) . . .
2164(61) . . .
2115(60) . . .
2269(62) . . .
2275(62) . . .
2151(61) . . .
2302(63) . . .
2294(63) . . .
2340(63) . . .
2219(62) . . .
2286(62) . . .
2251(62) . . .
2142(61) . . .
2301(63) . . .
2277(62) . . .
2268(62) . . .
2333(63) . . .
2260(62) . . .
2272(62) . . .
2335(63) . . .
2378(64) . . .
2408(64) . . .
2285(62) . . .
2382(64) . . .
2357(63) . . .
2353(63) . . .
2420(64) . . .
2378(64) . . .
2455(65) . . .
2363(63) . . .
2320(63) . . .
2330(63) . . .
2407(64) . . .
2498(65) . . .
2455(65) . . .
2410(64) . . .
2480(65) . . .
2455(65) . . .
2509(65) . . .
2474(65) . . .
2501(65) . . .
2494(65) . . .
2548(66) . . .
2473(65) . . .
2456(65) . . .
2462(65) . . .
2570(66) . . .
2529(65) . . .
2588(66) . . .
2537(66) . . .
2581(66) . . .
2515(65) . . .
2459(65) . . .
2456(65) . . .
2472(65) . . .
2549(66) . . .
2460(65) . . .
2581(66) . . .
2525(65) . . .
2611(66) . . .
2638(67) . . .
2624(67) . . .
2631(67) . . .
2498(65) . . .
2642(67) . . .
2660(67) . . .
2629(67) . . .
2671(67) . . .
2668(67) . . .
2696(67) . . .
2676(67) . . .
2637(67) . . .
2538(66) . . .
2684(67) . . .
2691(67) . . .
2794(68) . . .
2748(68) . . .
2773(68) . . .
2818(69) . . .
2741(68) . . .
2758(68) . . .
2694(67) . . .
2679(67) . . .
2750(68) . . .
2800(69) . . .
2677(67) . . .
2712(68) . . .
2725(68) . . .
2854(69) . . .
2819(69) . . .
2744(68) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             773
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.065
_reflns_d_resolution_low         12.936
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003008'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_CO2_SLOW_publ

_pd_block_id                     2014-01-17T11:46|CO2_SLOW|1_38|bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-17T11:46
_audit_update_record             
; 2014-01-17T11:46  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     73
_refine_ls_goodness_of_fit_all   1.36
_refine_ls_number_restraints     5
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            green

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   'MOF74-Fe CO2'
_cell_length_a                   26.0010(5)
_cell_length_b                   26.001
_cell_length_c                   6.86071(20)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4016.79(17)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Fe Fe 0.38556(19) 0.35294(20) 0.1427(6) 1.0 Uiso 0.0055(8) 18
O O1 0.32553(31) 0.29320(32) 0.3521(11) 1.0 Uiso 0.0144(10) 18
O O2 0.30331(33) 0.22615(35) 0.6000(11) 1.0 Uiso 0.0144(10) 18
O O3 0.3534(4) 0.27077(31) 0.0078(11) 1.0 Uiso 0.0144(10) 18
C C1 0.31607(29) 0.24472(28) 0.4228(9) 1.0 Uiso 0.0077(5) 18
C C2 0.32541(31) 0.20360(29) 0.2909(9) 1.0 Uiso 0.0077(5) 18
C C3 0.34290(26) 0.22086(27) 0.0961(9) 1.0 Uiso 0.0077(5) 18
C C4 0.35142(30) 0.18284(30) -0.0248(9) 1.0 Uiso 0.0077(5) 18
H H 0.3606(5) 0.1954(5) -0.1713(19) 1.0 Uiso 0.0096(29) 18
O O2b 0.2213(4) 0.7566(5) 0.5520(24) 0.856(6) Uiso 0.142(8) 18
C C2a 0.17458(27) 0.7160(4) 0.5806(16) 0.856(6) Uiso 0.068(4) 18
O O2a 0.12802(28) 0.6796(4) 0.6148(13) 0.856(6) Uiso 0.0115(23) 18
O O3b 0.2006(8) 0.0157(4) 0.6776(20) 0.407(6) Uiso 0.087(11) 18
C C3a 0.18481(24) 0.02087(23) 0.5237(14) 0.407(6) Uiso 0.028(6) 18
O O3a 0.1699(7) 0.0267(4) 0.3742(19) 0.407(6) Uiso 0.048(7) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C5.26 H Fe O5.53'
_chemical_formula_weight         208.46
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe Fe 3.076(5) . 103_554 N
Fe Fe 3.076(5) . 202_555 N
Fe O1 2.119(8) . 1_555 N
Fe O1 2.230(10) . 103_554 N
Fe O2 2.051(10) . 202_554 N
Fe O3 2.082(9) . 1_555 N
Fe O3 2.042(11) . 202_555 N
Fe O2a 2.272(10) . 101_544 N
O1 Fe 2.119(8) . 1_555 N
O1 Fe 2.230(10) . 202_555 N
O1 O2 2.293(11) . 1_555 N
O1 C1 1.255(11) . 1_555 N
O1 C2 2.366(12) . 1_555 N
O2 Fe 2.051(10) . 103_555 N
O2 O1 2.293(11) . 1_555 N
O2 C1 1.289(10) . 1_555 N
O2 C2 2.347(11) . 1_555 N
O3 Fe 2.082(9) . 1_555 N
O3 Fe 2.042(11) . 103_554 N
O3 C3 1.331(11) . 1_555 N
O3 C4 2.272(12) . 1_555 N
C1 O1 1.255(11) . 1_555 N
C1 O2 1.289(10) . 1_555 N
C1 C2 1.510(11) . 1_555 N
C2 O1 2.366(12) . 1_555 N
C2 O2 2.347(11) . 1_555 N
C2 C1 1.510(11) . 1_555 N
C2 C3 1.411(9) . 1_555 N
C3 O3 1.331(11) . 1_555 N
C3 C2 1.411(9) . 1_555 N
C3 C4 1.390(11) . 1_555 N
C4 O3 2.272(12) . 1_555 N
C4 C3 1.390(11) . 1_555 N
C4 H 1.047(14) . 1_555 N
H C4 1.047(14) . 1_555 N
O2b C2a 1.160(10) . 1_555 N
O2b O2a 2.285(10) . 1_555 N
C2a O2b 1.160(10) . 1_555 N
C2a O2a 1.128(8) . 1_555 N
O2a Fe 2.272(10) . 201_455 N
O2a O2b 2.285(10) . 1_555 N
O2a C2a 1.128(8) . 1_555 N
O3b C3a 1.164(17) . 1_555 N
O3b O3a 2.298(21) . 1_555 N
C3a O3b 1.164(17) . 1_555 N
C3a O3a 1.134(16) . 1_555 N
O3a O3b 2.298(21) . 1_555 N
O3a C3a 1.134(16) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Fe O1 80.99(17) 1_555 . 103_554 N
O1 Fe O2 177.5(4) 1_555 . 202_554 N
O1 Fe O3 77.19(33) 1_555 . 1_555 N
O1 Fe O3 83.6(4) 1_555 . 202_555 N
O1 Fe O2a 90.5(4) 1_555 . 101_544 N
O1 Fe O2 96.47(34) 103_554 . 202_554 N
O1 Fe O3 80.03(34) 103_554 . 1_555 N
O1 Fe O3 95.15(34) 103_554 . 202_555 N
O1 Fe O2a 169.12(34) 103_554 . 101_544 N
O2 Fe O3 102.3(4) 202_554 . 1_555 N
O2 Fe O3 96.7(4) 202_554 . 202_555 N
O2 Fe O2a 91.99(32) 202_554 . 101_544 N
O3 Fe O3 160.7(5) 1_555 . 202_555 N
O3 Fe O2a 91.5(4) 1_555 . 101_544 N
O3 Fe O2a 90.61(34) 202_555 . 101_544 N
Fe O1 Fe 90.00(30) 1_555 . 202_555 N
Fe O1 C1 134.5(7) 1_555 . 1_555 N
Fe O1 C1 131.6(6) 202_555 . 1_555 N
Fe O2 C1 119.5(7) 103_555 . 1_555 N
Fe O3 Fe 96.5(5) 1_555 . 103_554 N
Fe O3 C3 125.4(6) 1_555 . 1_555 N
Fe O3 C3 127.4(5) 103_554 . 1_555 N
O1 C1 O2 128.7(8) 1_555 . 1_555 N
O1 C1 C2 117.4(6) 1_555 . 1_555 N
O2 C1 C2 113.7(7) 1_555 . 1_555 N
C1 C2 C3 118.9(7) 1_555 . 1_555 N
O3 C3 C2 128.1(8) 1_555 . 1_555 N
O3 C3 C4 113.2(6) 1_555 . 1_555 N
C3 C4 H 116.4(11) 1_555 . 1_555 N
O2b C2a O2a 174.7(14) 1_555 . 1_555 N
Fe O2a C2a 117.1(8) 201_455 . 1_555 N
O3b C3a O3a 179.1(7) 1_555 . 1_555 N

# Powder diffraction data for histogram  3
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_CO2_SLOW_publ       
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        225 Ang3  
RESPONSE: This material is highly porous and has been evacuated prior to CO2 dosing. At this loading, the material remains mostly evacuated in the center of the channel.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.4388
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  echidna
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Fe 18.0 0.9450 International_Tables_Vol_C
O 99.454 0.5803 International_Tables_Vol_C
C 94.727 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0334
_pd_proc_ls_prof_wR_factor       0.0417
_pd_proc_ls_prof_wR_expected     0.0310
_refine_ls_R_Fsqd_factor         0.08444

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    266.427     2:   -60.9864     3:   -14.7628     4:    5.84996    
      5:   -1.59422     6:   -3.12195     7:   -1.21362     8:    1.58824    
      9:  -0.712631    10:    1.72042    11:   -1.79066    12:   0.281978    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  115.731 #2(GV)   =  -15.561 #3(GW)   =  225.131
 #4(GP)   =    7.571 #5(LX)   =    5.620 #6(LY)   =    5.878
 #7(S/L)  =   0.0302 #8(H/L)  =   0.0656
 #9(trns) =     0.00 #10(shft)=   0.0330
 #11(stec)=     0.07 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0001 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00010
_pd_proc_info_datetime           2014-01-17T11:46:15
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        2.7759
_pd_meas_2theta_range_max        163.9759
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        2.5126
_pd_proc_2theta_range_max        163.7126
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
0.0(10) 0.0(10) 0.0 -287.91 .
0.0(10) 0.0(10) 0.0 -281.53 .
0.0(10) 0.0(10) 0.0 -275.21 .
0.0(10) 0.0(10) 0.0 -268.94 .
0.0(10) 0.0(10) 0.0 -262.72 .
0.0(10) 0.0(10) 0.0 -256.56 .
0.0(10) 0.0(10) 0.0 -250.46 .
0.0(10) 0.0(10) 0.0 -244.41 .
0.0(10) 0.0(10) 0.0 -238.41 .
0.0(10) 0.0(10) 0.0 -232.46 .
0.0(10) 0.0(10) 0.0 -226.57 .
0.0(10) 0.0(10) 0.0 -220.73 .
0.0(10) 0.0(10) 0.0 -214.94 .
0.0(10) 0.0(10) 0.0 -209.20 .
0.0(10) 0.0(10) 0.0 -203.52 .
0.0(10) 0.0(10) 0.0 -197.88 .
0.0(10) 0.0(10) 0.0 -192.29 .
0.0(10) 0.0(10) 0.0 -186.76 .
0.0(10) 0.0(10) 0.0 -181.27 .
0.0(10) 0.0(10) 0.0 -175.83 .
0.0(10) 0.0(10) 0.0 -170.45 .
0.0(10) 0.0(10) 0.0 -165.11 .
0.0(10) 0.0(10) 0.0 -159.81 .
0.0(10) 0.0(10) 0.0 -154.57 .
0.02(7) 0.02(7) 0.0 -149.371 .
5.5(12) 5.5(12) 0.0 -144.22 .
4.5(9) 4.5(9) 0.0 -139.12 .
3.1(9) 3.1(9) 0.0 -134.06 .
5.6(15) 5.6(15) 0.0 -129.05 .
3.6(12) 3.6(12) 0.0 -124.08 .
5.5(12) 5.5(12) 0.0 -119.16 .
6.4(14) 6.4(14) 0.0 -114.29 .
7.9(14) 7.9(14) 0.0 -109.46 .
10.1(14) 10.1(14) 0.0 -104.67 .
9.5(16) 9.5(16) 0.0 -99.93 .
11.6(19) 11.6(19) 0.0 -95.23 .
13.3(18) 13.3(18) 0.0 -90.58 .
18.2(30) 18.2(30) 0.0 -85.97 .
29(4) 29(4) 0.0 -81.4 .
22.3(23) 22.3(23) 0.0 -76.87 .
45.5(34) 45.5(34) 0.0 -72.38 .
58.5(35) 58.5(35) 0.0 -67.94 .
67(4) 67(4) 0.0 -63.5 .
66(5) 66(5) 0.0 -59.2 .
50.2(34) 50.2(34) 0.0 -54.86 .
55.4(34) 55.4(34) 0.0 -50.58 .
72(4) 72(4) 0.0 -46.3 .
125(6) 125(6) 0.0 -42.1 .
136(5) 136(5) 0.0 -38.0 .
152(6) 152(6) 0.0 -33.9 .
228(8) 228(8) 0.0 -29.8 .
226(7) 226(7) 0.0 -25.7 .
215(8) 215(8) 0.0 -21.7 .
232(10) 232(10) 0.0 -17.8 .
226(10) 226(10) 0.0 -13.8 .
236(8) 236(8) 0.0 -9.9 .
240(9) 240(9) 0.0 -6.1 .
240(8) 240(8) 0.0 -2.3 .
237(7) 237(7) 0.0 1.5 .
238(9) 238(9) 0.0 5.2 .
236(9) 236(9) 0.0 9.0 .
232(8) 232(8) 0.0 12.6 .
230(10) 230(10) 0.0 16.3 .
235(11) 235(11) 0.0 19.9 .
231(8) 231(8) 0.0 23.4 .
219(8) 219(8) 0.0 27.0 .
228(7) 228(7) 0.0 30.5 .
239(8) 239(8) 0.0 33.9 .
238(10) 238(10) 0.0 37.3 .
231(8) 231(8) 0.0 40.7 .
230(7) 230(7) 0.0 44.1 .
233(8) 233(8) 0.0 47.4 .
241(8) 241(8) 0.0 50.7 .
242(8) 242(8) 0.0 54.0 .
243(8) 243(8) 0.0 57.2 .
250(8) 250(8) 0.0 60.4 .
249(8) 249(8) 0.0 63.6 .
246(9) 246(9) 0.0 66.7 .
243(11) 243(11) 0.0 69.8 .
233(11) 233(11) 0.0 72.9 .
244(8) 244(8) 0.0 75.9 .
245(9) 245(9) 0.0 78.9 .
245(8) 245(8) 0.0 81.9 .
247(8) 247(8) 0.0 84.9 .
249(9) 249(9) 0.0 87.8 .
240(9) 240(9) 0.0 90.7 .
238(9) 238(9) 0.0 93.5 .
247(10) 247(10) 0.0 96.4 .
233(10) 233(10) 0.0 99.2 .
243(8) 243(8) 0.0 102.0 .
247(8) 247(8) 0.0 104.7 .
254(8) 254(8) 0.0 107.4 .
258(9) 258(9) 0.0 110.1 .
247(11) 247(11) 0.0 112.8 .
232(8) 232(8) 0.0 115.4 .
233(8) 233(8) 0.0 118.0 .
237(8) 237(8) 0.0 120.6 .
251(8) 251(8) 0.0 123.1 .
251(8) 251(8) 0.0 125.7 .
249(8) 249(8) 0.0 128.2 .
252(8) 252(8) 0.0 130.6 .
260(8) 260(8) 0.0 133.1 .
264(9) 264(9) 0.0 135.5 .
236(10) 236(10) 0.0 137.9 .
236(10) 236(10) 0.0 140.3 .
258(8) 258(8) 0.0 142.6 .
244(9) 244(9) 0.0 144.9 .
242(8) 242(8) 0.0 147.2 .
257(8) 257(8) 0.0 149.5 .
254(9) 254(9) 0.0 151.8 .
259(9) 259(9) 0.0 154.0 .
262(9) 262(9) 0.0 156.2 .
264(10) 264(10) 0.0 158.4 .
273(11) 273(11) 0.0 160.5 .
262(8) 262(8) 0.0 162.6 .
270(9) 270(9) 0.0 164.7 .
273(8) 273(8) 0.0 166.8 .
276(9) 276(9) 0.0 168.9 .
280(11) 280(11) 0.0 170.9 .
265(8) 265(8) 0.0 172.9 .
275(8) 275(8) 0.0 174.9 .
287(9) 287(9) 0.0 176.9 .
292(9) 292(9) 0.0 178.8 .
296(8) 296(8) 0.0 180.8 .
299(9) 299(9) 0.0 182.7 .
302(9) 302(9) 0.0 184.6 .
301(8) 301(8) 0.0 186.4 .
297(9) 297(9) 0.0 188.3 .
289(11) 289(11) 0.0 190.1 .
324(12) 324(12) 0.0 191.9 .
320(9) 320(9) 0.0 193.7 .
340(11) 340(11) 0.0 195.4 .
344(10) 344(10) 0.0 197.2 .
327(9) 327(9) 0.0 198.9 .
351(11) 351(11) 0.0 200.6 .
362(11) 362(11) 0.0 202.3 .
374(10) 374(10) 0.0 203.9 .
398(13) 398(13) 0.0 205.6 .
419(14) 419(14) 0.0 207.2 .
438(11) 438(11) 0.0 208.8 .
444(11) 444(11) 0.0 210.4 .
465(10) 465(10) 0.0 212.0 .
492(12) 492(12) 0.0 213.5 .
543(16) 543(16) 0.0 215.1 .
565(12) 565(12) 0.0 216.6 .
601(12) 601(12) 0.0 218.1 .
642(13) 642(13) 0.0 219.6 .
695(14) 695(14) 0.0 221.0 .
757(13) 757(13) 0.0 222.5 .
828(15) 828(15) 0.0 223.9 .
939(19) 939(19) 0.0 225.3 .
1035(17) 1035(17) 0.0 226.7 .
1133(20) 1133(20) 0.0 228.1 .
1255(27) 1255(27) 0.0 229.4 .
1423(29) 1423(29) 0.0 230.8 .
1708(25) 1708(25) 0.0 232.1 .
1973(30) 1973(30) 0.0 233.4 .
2280(28) 2280(28) 0.0 234.7 .
2631(28) 2631(28) 0.0 236.0 .
2940(36) 2940(36) 0.0 237. .
3237(38) 3237(38) 0.0 238. .
3421(36) 3421(36) 0.0 240. .
3491(45) 3491(45) 0.0 241. .
3418(49) 3418(49) 0.0 242. .
3273(33) 3273(33) 0.0 243.3 .
3060(34) 3060(34) 0.0 244.5 .
2690(28) 2690(28) 0.0 245.7 .
2265(29) 2265(29) 0.0 246.8 .
1719(31) 1719(31) 0.0 247.9 .
1227(19) 1227(19) 0.0 249.1 .
856(14) 856(14) 0.0 250.2 .
547(13) 547(13) 0.0 251.2 .
429(12) 429(12) 0.0 252.3 .
386(11) 386(11) 0.0 253.4 .
361(11) 361(11) 0.0 254.4 .
348(11) 348(11) 0.0 255.5 .
342(10) 342(10) 0.0 256.5 .
334(11) 334(11) 0.0 257.5 .
318(13) 318(13) 0.0 258.5 .
327(14) 327(14) 0.0 259.5 .
347(11) 347(11) 0.0 260.4 .
339(12) 339(12) 0.0 261.4 .
330(11) 330(11) 0.0 262.3 .
328(10) 328(10) 0.0 263.2 .
322(12) 322(12) 0.0 264.2 .
312(12) 312(12) 0.0 265.1 .
323(11) 323(11) 0.0 266.0 .
346(13) 346(13) 0.0 266.8 .
319(13) 319(13) 0.0 267.7 .
303(10) 303(10) 0.0 268.6 .
307(10) 307(10) 0.0 269.4 .
305(9) 305(9) 0.0 270.2 .
303(10) 303(10) 0.0 271.1 .
304(13) 304(13) 0.0 271.9 .
305(10) 305(10) 0.0 272.7 .
306(10) 306(10) 0.0 273.5 .
305(10) 305(10) 0.0 274.2 .
293(10) 293(10) 0.0 275.0 .
300(9) 300(9) 0.0 275.8 .
309(10) 309(10) 0.0 276.5 .
315(10) 315(10) 0.0 277.2 .
307(9) 307(9) 0.0 278.0 .
299(10) 299(10) 0.0 278.7 .
302(12) 302(12) 0.0 279.4 .
314(12) 314(12) 0.0 280.1 .
301(9) 301(9) 0.0 280.8 .
298(10) 298(10) 0.0 281.4 .
302(9) 302(9) 0.0 282.1 .
310(9) 310(9) 0.0 282.8 .
300(10) 300(10) 0.0 283.4 .
306(11) 306(11) 0.0 284.0 .
312(10) 312(10) 0.0 284.7 .
310(12) 310(12) 0.0 285.3 .
317(13) 317(13) 0.0 285.9 .
298(9) 298(9) 0.0 286.5 .
294(9) 294(9) 0.0 287.1 .
300(9) 300(9) 0.0 287.7 .
308(10) 308(10) 0.0 288.2 .
314(12) 314(12) 0.0 288.8 .
298(9) 298(9) 0.0 289.3 .
293(8) 293(8) 0.0 289.9 .
294(9) 294(9) 0.0 290.4 .
307(10) 307(10) 0.0 291.0 .
300(9) 300(9) 0.0 291.5 .
291(9) 291(9) 0.0 292.0 .
296(9) 296(9) 0.0 292.5 .
304(9) 304(9) 0.0 293.0 .
312(10) 312(10) 0.0 293.5 .
319(13) 319(13) 0.0 294.0 .
294(12) 294(12) 0.0 294.4 .
307(10) 307(10) 0.0 294.9 .
316(11) 316(11) 0.0 295.4 .
313(10) 313(10) 0.0 295.8 .
300(9) 300(9) 0.0 296.3 .
309(11) 309(11) 0.0 296.7 .
318(11) 318(11) 0.0 297.1 .
313(10) 313(10) 0.0 297.5 .
295(11) 295(11) 0.0 298.0 .
291(12) 291(12) 0.0 298.4 .
298(9) 298(9) 0.0 298.8 .
303(9) 303(9) 0.0 299.2 .
300(9) 300(9) 0.0 299.5 .
296(10) 296(10) 0.0 299.9 .
294(12) 294(12) 0.0 300.3 .
299(9) 299(9) 0.0 300.7 .
306(9) 306(9) 0.01309 301.0 303.9
310(10) 310(10) 0.01099 301.4 304.2
299(9) 299(9) 0.01137 301.7 304.5
302(9) 302(9) 0.01327 302.1 304.8
307(10) 307(10) 0.01099 302.4 305.1
313(10) 313(10) 0.01045 302.7 305.3
308(9) 308(9) 0.01288 303.1 305.6
302(10) 302(10) 0.01033 303.4 305.9
307(12) 307(12) 0.00642 303.7 306.2
287(12) 287(12) 0.00685 304.0 306.4
304(10) 304(10) 0.01076 304.3 306.7
302(10) 302(10) 0.00910 304.6 307.0
307(10) 307(10) 0.01056 304.9 307.2
322(9) 322(9) 0.01221 305.2 307.5
321(11) 321(11) 0.00843 305.4 307.7
323(11) 323(11) 0.00807 305.7 308.0
325(10) 325(10) 0.00950 306.0 308.2
318(12) 318(12) 0.00711 306.2 308.5
305(13) 305(13) 0.00622 306.5 308.7
313(10) 313(10) 0.01065 306.7 308.9
321(10) 321(10) 0.01016 307.0 309.2
320(9) 320(9) 0.01224 307.2 309.4
316(10) 316(10) 0.00982 307.5 309.6
307(12) 307(12) 0.00645 307.7 309.8
308(10) 308(10) 0.01085 307.9 310.1
315(9) 315(9) 0.01248 308.1 310.3
323(10) 323(10) 0.01035 308.4 310.5
326(10) 326(10) 0.01006 308.6 310.7
319(9) 319(9) 0.01235 308.8 310.9
314(10) 314(10) 0.01045 309.0 311.1
328(10) 328(10) 0.00973 309.2 311.3
327(9) 327(9) 0.01174 309.4 311.5
322(10) 322(10) 0.00943 309.6 311.7
315(13) 315(13) 0.00608 309.8 311.9
301(13) 301(13) 0.00636 309.9 312.1
308(10) 308(10) 0.01045 310.1 312.3
297(11) 297(11) 0.00907 310.3 312.5
296(10) 296(10) 0.01065 310.5 312.7
307(9) 307(9) 0.01246 310.6 312.9
308(11) 308(11) 0.00854 310.8 313.1
316(11) 316(11) 0.00801 310.9 313.3
311(10) 311(10) 0.00965 311.1 313.5
295(12) 295(12) 0.00723 311.2 313.7
309(13) 309(13) 0.00606 311.4 313.9
315(10) 315(10) 0.01027 311.5 314.1
313(10) 313(10) 0.01027 311.7 314.3
303(9) 303(9) 0.01271 311.8 314.5
298(10) 298(10) 0.01010 311.9 314.7
315(13) 315(13) 0.00611 312.1 315.0
326(10) 326(10) 0.00986 312.2 315.2
321(9) 321(9) 0.01202 312.3 315.5
314(10) 314(10) 0.01031 312.4 315.8
314(10) 314(10) 0.01022 312.5 316.1
312(9) 312(9) 0.01226 312.6 316.4
309(10) 309(10) 0.01054 312.8 316.8
296(9) 296(9) 0.01156 312.9 317.2
311(9) 311(9) 0.01254 313.0 317.8
326(10) 326(10) 0.00957 313.1 318.6
321(13) 321(13) 0.00623 313.2 319.6
330(13) 330(13) 0.00606 313.2 321.2
308(9) 308(9) 0.01122 313.3 323.6
320(11) 320(11) 0.00853 313.4 327.0
330(10) 330(10) 0.00994 313.5 331.9
332(9) 332(9) 0.01205 313.6 338.5
334(11) 334(11) 0.00819 313.7 347.3
335(11) 335(11) 0.00792 313.7 358.5
350(11) 350(11) 0.00885 313.8 372.6
375(13) 375(13) 0.00612 313.9 389.8
394(14) 394(14) 0.00516 314.0 410.7
419(11) 419(11) 0.00790 314.0 436.1
435(11) 435(11) 0.00774 314.1 466.8
470(11) 470(11) 0.00837 314.1 503.2
514(13) 514(13) 0.00611 314.2 545.1
576(17) 576(17) 0.003468 314.2 590.9
608(14) 608(14) 0.00537 314.3 636.9
642(13) 642(13) 0.00597 314.4 677.3
671(14) 671(14) 0.00492 314.4 704.8
673(14) 673(14) 0.00502 314.4 712.4
669(13) 669(13) 0.00603 314.5 695.9
653(14) 653(14) 0.00521 314.5 655.9
584(13) 584(13) 0.00590 314.6 599.4
535(11) 535(11) 0.00780 314.6 536.3
487(12) 487(12) 0.00675 314.6 476.3
422(14) 422(14) 0.00486 314.7 425.7
395(14) 395(14) 0.00518 314.7 387.2
351(10) 351(10) 0.00994 314.7 360.5
327(11) 327(11) 0.00888 314.8 343.5
322(10) 322(10) 0.01048 314.8 333.5
332(9) 332(9) 0.01232 314.8 327.8
336(11) 336(11) 0.00836 314.8 324.7
339(11) 339(11) 0.00803 314.8 322.9
332(10) 332(10) 0.00971 314.9 321.8
314(12) 314(12) 0.00743 314.9 321.0
312(13) 312(13) 0.00638 314.9 320.5
325(10) 325(10) 0.01069 314.9 320.0
317(10) 317(10) 0.01081 314.9 319.6
316(9) 316(9) 0.01285 314.9 319.3
318(10) 318(10) 0.01008 314.9 319.1
330(13) 330(13) 0.00626 314.9 318.9
344(10) 344(10) 0.01006 314.9 318.7
329(9) 329(9) 0.01283 315.0 318.5
314(9) 314(9) 0.01110 315.0 318.4
331(10) 331(10) 0.01027 315.0 318.3
332(9) 332(9) 0.01229 315.0 318.2
330(10) 330(10) 0.01029 314.9 318.1
330(10) 330(10) 0.00956 314.9 318.1
330(9) 330(9) 0.01164 314.9 318.0
329(10) 329(10) 0.00934 314.9 318.0
320(13) 320(13) 0.00598 314.9 318.0
332(13) 332(13) 0.00577 314.9 318.1
319(10) 319(10) 0.00996 314.9 318.1
312(11) 312(11) 0.00854 314.9 318.2
315(10) 315(10) 0.00998 314.9 318.4
328(9) 328(9) 0.01164 314.9 318.6
311(11) 311(11) 0.00864 314.9 319.0
316(11) 316(11) 0.00790 314.8 319.7
324(10) 324(10) 0.00928 314.8 320.7
316(12) 316(12) 0.00662 314.8 322.2
326(13) 326(13) 0.00556 314.8 324.5
329(10) 329(10) 0.00990 314.8 327.8
329(10) 329(10) 0.00963 314.7 332.3
340(10) 340(10) 0.01094 314.7 338.3
354(11) 354(11) 0.00837 314.7 346.1
372(14) 372(14) 0.00515 314.7 356.1
370(11) 370(11) 0.00882 314.6 368.5
391(10) 391(10) 0.00974 314.6 383.7
416(11) 416(11) 0.00780 314.6 401.7
445(12) 445(12) 0.00700 314.6 421.9
467(11) 467(11) 0.00793 314.5 443.1
486(12) 486(12) 0.00651 314.5 462.9
500(13) 500(13) 0.00635 314.5 478.4
497(12) 497(12) 0.00755 314.4 486.3
491(13) 491(13) 0.00599 314.4 484.1
486(16) 486(16) 0.00387 314.4 471.2
462(16) 462(16) 0.00408 314.4 449.5
439(12) 439(12) 0.00736 314.3 423.3
402(12) 402(12) 0.00672 314.3 396.3
374(11) 374(11) 0.00822 314.2 372.7
356(10) 356(10) 0.01056 314.2 353.9
346(11) 346(11) 0.00759 314.2 340.2
329(11) 329(11) 0.00771 314.1 331.0
319(10) 319(10) 0.00923 314.1 325.2
319(12) 319(12) 0.00683 314.1 321.8
321(13) 321(13) 0.00591 314.0 319.9
328(10) 328(10) 0.00965 314.0 318.7
319(10) 319(10) 0.01006 314.0 318.0
318(9) 318(9) 0.01200 313.9 317.6
318(10) 318(10) 0.00948 313.9 317.3
319(13) 319(13) 0.00596 313.8 317.1
319(10) 319(10) 0.00984 313.8 316.9
318(9) 318(9) 0.01174 313.8 316.7
318(10) 318(10) 0.00994 313.7 316.6
324(10) 324(10) 0.00986 313.7 316.6
321(9) 321(9) 0.01197 313.6 316.5
315(10) 315(10) 0.01029 313.6 316.5
310(10) 310(10) 0.01074 313.5 316.5
311(9) 311(9) 0.01265 313.5 316.5
314(10) 314(10) 0.00990 313.5 316.5
320(13) 320(13) 0.00619 313.4 316.5
317(13) 317(13) 0.00625 313.4 316.6
317(10) 317(10) 0.01054 313.3 316.7
322(11) 322(11) 0.00848 313.3 316.9
320(10) 320(10) 0.01012 313.2 317.1
310(9) 310(9) 0.01274 313.2 317.3
317(11) 317(11) 0.00853 313.1 317.6
315(11) 315(11) 0.00842 313.1 318.1
322(10) 322(10) 0.00959 313.1 318.7
334(12) 334(12) 0.00690 313.0 319.6
326(13) 326(13) 0.00604 313.0 320.9
340(10) 340(10) 0.00978 312.9 323.1
325(10) 325(10) 0.01033 312.9 326.6
328(9) 328(9) 0.01202 312.8 331.8
335(10) 335(10) 0.00934 312.8 339.6
345(13) 345(13) 0.00577 312.7 350.8
382(11) 382(11) 0.00856 312.7 366.4
396(10) 396(10) 0.00986 312.6 387.4
412(11) 412(11) 0.00806 312.6 414.8
456(12) 456(12) 0.00717 312.5 449.6
508(12) 508(12) 0.00755 312.5 491.8
562(13) 562(13) 0.00577 312.5 540.6
617(15) 617(15) 0.00459 312.4 593.1
665(14) 665(14) 0.00528 312.4 644.1
704(16) 704(16) 0.00407 312.3 686.5
711(20) 711(20) 0.002500 312.3 712.1
751(21) 751(21) 0.002341 312.2 713.9
684(15) 684(15) 0.00424 312.2 689.2
633(16) 633(16) 0.00398 312.1 641.5
582(14) 582(14) 0.00497 312.1 580.0
529(12) 529(12) 0.00670 312.0 515.6
446(13) 446(13) 0.00590 312.0 457.1
390(13) 390(13) 0.00612 312.0 409.7
360(11) 360(11) 0.00782 311.9 374.8
334(13) 334(13) 0.00573 311.9 351.3
330(14) 330(14) 0.00487 311.8 336.7
323(10) 323(10) 0.00952 311.8 328.2
318(11) 318(11) 0.00902 311.7 323.4
331(10) 331(10) 0.01024 311.7 320.7
340(11) 340(11) 0.00812 311.6 319.1
320(13) 320(13) 0.00560 311.6 318.0
309(10) 309(10) 0.01014 311.5 317.3
316(9) 316(9) 0.01166 311.5 316.7
322(10) 322(10) 0.00967 311.5 316.2
312(10) 312(10) 0.00934 311.4 315.8
314(10) 314(10) 0.01090 311.4 315.5
319(10) 319(10) 0.00923 311.3 315.2
333(10) 333(10) 0.00980 311.3 314.9
322(9) 322(9) 0.01151 311.2 314.7
307(10) 307(10) 0.00921 311.2 314.5
298(13) 298(13) 0.00624 311.2 314.4
329(13) 329(13) 0.00571 311.1 314.2
309(10) 309(10) 0.01083 311.1 314.1
307(11) 307(11) 0.00837 311.0 314.1
306(10) 306(10) 0.00988 311.0 314.0
303(9) 303(9) 0.01226 310.9 314.0
299(11) 299(11) 0.00875 310.9 314.1
298(11) 298(11) 0.00832 310.9 314.2
304(10) 304(10) 0.00937 310.8 314.5
314(12) 314(12) 0.00713 310.8 315.0
319(13) 319(13) 0.00636 310.7 315.9
309(10) 309(10) 0.00978 310.7 317.3
307(10) 307(10) 0.01069 310.7 319.5
308(9) 308(9) 0.01265 310.6 322.7
311(10) 311(10) 0.00984 310.6 327.4
317(13) 317(13) 0.00598 310.5 333.9
348(11) 348(11) 0.00842 310.5 342.5
359(10) 359(10) 0.00974 310.5 353.5
368(11) 368(11) 0.00820 310.4 366.7
390(11) 390(11) 0.00842 310.4 381.5
402(10) 402(10) 0.00973 310.4 396.6
412(11) 412(11) 0.00796 310.3 410.2
420(10) 420(10) 0.00996 310.3 419.9
422(10) 422(10) 0.00990 310.3 423.5
418(11) 418(11) 0.00818 310.2 419.7
417(12) 417(12) 0.00670 310.2 408.7
409(12) 409(12) 0.00694 310.1 392.7
383(10) 383(10) 0.01027 310.1 374.8
360(10) 360(10) 0.00984 310.1 357.6
351(11) 351(11) 0.00772 310.0 343.1
328(10) 328(10) 0.01050 310.0 332.0
313(11) 313(11) 0.00902 310.0 324.3
318(9) 318(9) 0.01218 309.9 319.4
324(9) 324(9) 0.01297 309.9 316.5
319(10) 319(10) 0.01074 309.9 314.8
306(10) 306(10) 0.00923 309.8 313.9
315(11) 315(11) 0.00888 309.8 313.3
315(9) 315(9) 0.01243 309.8 313.0
309(9) 309(9) 0.01144 309.8 312.8
306(11) 306(11) 0.00861 309.7 312.6
302(11) 302(11) 0.00905 309.7 312.5
314(10) 314(10) 0.01096 309.7 312.5
307(8) 307(8) 0.01431 309.6 312.4
308(9) 308(9) 0.01358 309.6 312.4
320(10) 320(10) 0.01072 309.6 312.4
297(10) 297(10) 0.00961 309.6 312.4
300(9) 300(9) 0.01205 309.5 312.4
314(10) 314(10) 0.00973 309.5 312.5
324(12) 324(12) 0.00707 309.5 312.6
334(11) 334(11) 0.00832 309.4 312.7
322(9) 322(9) 0.01202 309.4 312.9
317(9) 317(9) 0.01132 309.4 313.1
325(11) 325(11) 0.00845 309.4 313.4
320(9) 320(9) 0.01202 309.4 313.8
316(9) 316(9) 0.01146 309.3 314.3
316(11) 316(11) 0.00883 309.3 315.1
307(9) 307(9) 0.01260 309.3 316.3
308(9) 308(9) 0.01171 309.3 318.2
321(11) 321(11) 0.00864 309.2 321.4
325(9) 325(9) 0.01179 309.2 326.4
334(10) 334(10) 0.00914 309.2 334.1
348(12) 348(12) 0.00663 309.2 345.5
356(11) 356(11) 0.00782 309.2 361.8
386(13) 386(13) 0.00600 309.1 383.9
420(13) 420(13) 0.00560 309.1 412.6
464(14) 464(14) 0.00502 309.1 447.5
491(12) 491(12) 0.00686 309.1 486.9
514(13) 514(13) 0.00584 309.1 527.2
548(15) 548(15) 0.00417 309.0 563.1
596(15) 596(15) 0.00463 309.0 588.6
574(15) 574(15) 0.00419 309.0 597.7
577(13) 577(13) 0.00589 309.0 587.2
539(14) 539(14) 0.00502 309.0 558.2
492(13) 492(13) 0.00559 309.0 516.6
465(13) 465(13) 0.00596 308.9 470.3
431(15) 431(15) 0.00418 308.9 426.6
382(15) 382(15) 0.00469 308.9 389.9
346(11) 346(11) 0.00905 308.9 362.1
348(12) 348(12) 0.00709 308.9 342.9
338(11) 338(11) 0.00862 308.9 330.7
308(9) 308(9) 0.01159 308.9 323.4
310(11) 310(11) 0.00792 308.8 319.3
323(12) 323(12) 0.00724 308.8 317.0
333(11) 333(11) 0.00826 308.8 315.7
326(12) 326(12) 0.00656 308.8 315.0
314(13) 314(13) 0.00590 308.8 314.5
319(10) 319(10) 0.00926 308.8 314.2
307(10) 307(10) 0.01004 308.8 313.9
310(9) 310(9) 0.01179 308.8 313.8
315(10) 315(10) 0.00916 308.8 313.7
319(13) 319(13) 0.00565 308.7 313.8
332(11) 332(11) 0.00873 308.7 313.9
329(10) 329(10) 0.01058 308.7 314.2
325(10) 325(10) 0.00909 308.7 314.6
329(10) 329(10) 0.00932 308.7 315.4
329(9) 329(9) 0.01115 308.7 316.8
328(10) 328(10) 0.00969 308.7 319.1
324(9) 324(9) 0.01129 308.7 322.9
331(9) 331(9) 0.01254 308.7 328.9
338(10) 338(10) 0.00967 308.7 337.8
332(13) 332(13) 0.00636 308.7 350.7
373(13) 373(13) 0.00570 308.7 368.4
354(10) 354(10) 0.01043 308.7 391.2
400(12) 400(12) 0.00697 308.7 418.7
442(11) 442(11) 0.00783 308.7 449.1
469(11) 469(11) 0.00897 308.7 479.2
492(13) 492(13) 0.00581 308.7 504.6
502(13) 502(13) 0.00560 308.7 520.6
505(12) 505(12) 0.00646 308.7 523.1
515(14) 515(14) 0.00480 308.7 510.7
503(15) 503(15) 0.00431 308.7 485.6
472(12) 472(12) 0.00742 308.7 452.9
441(11) 441(11) 0.00837 308.7 418.7
398(9) 398(9) 0.01127 308.7 387.7
354(10) 354(10) 0.00978 308.7 362.5
312(12) 312(12) 0.00684 308.7 344.1
323(10) 323(10) 0.01074 308.7 331.6
320(9) 320(9) 0.01294 308.7 323.9
314(9) 314(9) 0.01120 308.7 319.5
306(9) 306(9) 0.01205 308.7 317.0
315(8) 315(8) 0.01606 308.7 315.6
328(9) 328(9) 0.01303 308.7 314.9
330(11) 330(11) 0.00895 308.7 314.5
317(10) 317(10) 0.01069 308.7 314.3
300(9) 300(9) 0.01208 308.7 314.1
323(9) 323(9) 0.01129 308.7 314.1
322(9) 322(9) 0.01336 308.7 314.2
316(9) 316(9) 0.01149 308.7 314.3
307(9) 307(9) 0.01210 308.7 314.5
309(8) 309(8) 0.01387 308.7 314.8
314(9) 314(9) 0.01161 308.7 315.3
317(9) 317(9) 0.01159 308.7 316.0
310(8) 310(8) 0.01397 308.7 317.0
306(9) 306(9) 0.01189 308.7 318.6
321(9) 321(9) 0.01144 308.7 321.2
337(11) 337(11) 0.00877 308.7 325.4
346(10) 346(10) 0.00982 308.8 332.4
349(10) 349(10) 0.00965 308.8 343.4
354(13) 354(13) 0.00621 308.8 360.0
381(13) 381(13) 0.00577 308.8 384.1
410(14) 410(14) 0.00539 308.8 417.1
474(11) 474(11) 0.00767 308.8 459.3
521(13) 521(13) 0.00556 308.8 509.5
576(13) 576(13) 0.00583 308.8 564.0
629(14) 629(14) 0.00532 308.8 616.6
630(17) 630(17) 0.003489 308.8 659.4
671(14) 671(14) 0.00518 308.9 684.3
662(15) 662(15) 0.00422 308.9 685.2
657(13) 657(13) 0.00551 308.9 661.2
638(13) 638(13) 0.00615 308.9 617.2
580(13) 580(13) 0.00574 308.9 561.9
503(11) 503(11) 0.00885 308.9 504.4
434(11) 434(11) 0.00907 308.9 451.6
383(11) 383(11) 0.00872 308.9 408.1
366(9) 366(9) 0.01181 309.0 375.2
351(9) 351(9) 0.01122 309.0 352.2
333(10) 333(10) 0.00998 309.0 337.2
332(9) 332(9) 0.01288 309.0 327.9
328(9) 328(9) 0.01202 309.0 322.4
314(10) 314(10) 0.01063 309.0 319.1
311(11) 311(11) 0.00897 309.0 317.2
321(9) 321(9) 0.01134 309.1 316.0
330(10) 330(10) 0.01052 309.1 315.2
322(12) 322(12) 0.00744 309.1 314.7
317(12) 317(12) 0.00755 309.1 314.2
335(12) 335(12) 0.00728 309.1 313.8
339(10) 339(10) 0.00984 309.1 313.6
320(11) 320(11) 0.00887 309.1 313.4
311(9) 311(9) 0.01176 309.2 313.2
307(9) 307(9) 0.01134 309.2 313.2
303(11) 303(11) 0.00818 309.2 313.3
325(10) 325(10) 0.00978 309.2 313.6
318(11) 318(11) 0.00832 309.2 314.1
308(9) 308(9) 0.01218 309.3 315.2
314(9) 314(9) 0.01283 309.3 316.9
343(10) 343(10) 0.00986 309.3 319.5
341(9) 341(9) 0.01216 309.3 323.3
345(9) 345(9) 0.01174 309.3 328.5
356(10) 356(10) 0.00954 309.3 334.9
353(9) 353(9) 0.01176 309.4 342.2
358(9) 358(9) 0.01129 309.4 349.7
372(10) 372(10) 0.00909 309.4 356.3
372(9) 372(9) 0.01113 309.4 360.8
365(9) 365(9) 0.01115 309.4 362.1
349(10) 349(10) 0.00957 309.5 359.7
348(12) 348(12) 0.00750 309.5 354.1
343(10) 343(10) 0.01090 309.5 346.5
338(10) 338(10) 0.01006 309.5 338.2
337(11) 337(11) 0.00775 309.6 330.6
345(11) 345(11) 0.00761 309.6 324.3
334(11) 334(11) 0.00834 309.6 319.7
314(10) 314(10) 0.01069 309.6 316.5
304(11) 304(11) 0.00869 309.6 314.4
296(9) 296(9) 0.01268 309.7 313.3
297(9) 297(9) 0.01134 309.7 312.6
308(11) 308(11) 0.00848 309.7 312.2
320(11) 320(11) 0.00851 309.7 312.0
319(10) 319(10) 0.01101 309.8 311.9
316(9) 316(9) 0.01355 309.8 311.8
312(10) 312(10) 0.01106 309.8 311.7
308(11) 308(11) 0.00792 309.8 311.7
315(11) 315(11) 0.00792 309.8 311.6
319(9) 319(9) 0.01110 309.9 311.6
299(10) 299(10) 0.00974 309.9 311.6
293(9) 293(9) 0.01246 309.9 311.6
299(9) 299(9) 0.01139 309.9 311.6
309(11) 309(11) 0.00807 310.0 311.6
309(9) 309(9) 0.01146 310.0 311.6
306(8) 306(8) 0.01397 310.0 311.6
305(9) 305(9) 0.01122 310.0 311.7
306(11) 306(11) 0.00793 310.1 311.7
305(11) 305(11) 0.00818 310.1 311.7
298(9) 298(9) 0.01194 310.1 311.7
307(10) 307(10) 0.00914 310.1 311.8
308(10) 308(10) 0.00923 310.2 311.8
311(9) 311(9) 0.01171 310.2 311.9
313(9) 313(9) 0.01260 310.2 311.9
306(9) 306(9) 0.01149 310.2 312.0
312(9) 312(9) 0.01355 310.3 312.0
322(10) 322(10) 0.01058 310.3 312.1
332(12) 332(12) 0.00732 310.3 312.1
315(12) 315(12) 0.00737 310.3 312.2
302(9) 302(9) 0.01268 310.4 312.3
298(8) 298(8) 0.01532 310.4 312.4
299(9) 299(9) 0.01200 310.4 312.4
318(12) 318(12) 0.00717 310.4 312.5
323(12) 323(12) 0.00705 310.5 312.6
319(9) 319(9) 0.01192 310.5 312.7
308(10) 308(10) 0.01033 310.5 312.8
308(9) 308(9) 0.01216 310.5 313.0
318(8) 318(8) 0.01424 310.6 313.1
314(10) 314(10) 0.01002 310.6 313.3
296(10) 296(10) 0.01037 310.6 313.4
290(9) 290(9) 0.01226 310.6 313.6
313(11) 313(11) 0.00783 310.7 313.8
326(12) 326(12) 0.00664 310.7 314.1
305(9) 305(9) 0.01262 310.7 314.4
302(9) 302(9) 0.01254 310.8 314.7
313(8) 313(8) 0.01427 310.8 315.1
324(10) 324(10) 0.01103 310.8 315.6
326(12) 326(12) 0.00701 310.8 316.4
301(9) 301(9) 0.01288 310.9 317.5
314(8) 314(8) 0.01431 310.9 319.3
330(9) 330(9) 0.01169 310.9 322.2
328(9) 328(9) 0.01156 310.9 326.9
340(9) 340(9) 0.01312 311.0 334.1
356(10) 356(10) 0.01058 311.0 344.9
380(10) 380(10) 0.00923 311.0 360.1
401(10) 401(10) 0.01056 311.0 380.2
423(11) 423(11) 0.00803 311.1 404.8
453(15) 453(15) 0.00475 311.1 432.3
455(15) 455(15) 0.00470 311.1 459.8
487(12) 487(12) 0.00721 311.2 483.2
501(13) 501(13) 0.00584 311.2 498.2
502(12) 502(12) 0.00696 311.2 501.4
493(11) 493(11) 0.00862 311.2 491.5
470(13) 470(13) 0.00637 311.3 470.3
438(12) 438(12) 0.00658 311.3 442.4
406(11) 406(11) 0.00828 311.3 412.8
380(13) 380(13) 0.00638 311.3 385.8
358(13) 358(13) 0.00566 311.4 363.7
354(10) 354(10) 0.01031 311.4 347.4
344(10) 344(10) 0.01031 311.4 336.3
330(9) 330(9) 0.01294 311.4 329.5
322(10) 322(10) 0.01033 311.5 325.7
350(13) 350(13) 0.00616 311.5 323.7
325(9) 325(9) 0.01134 311.5 322.9
319(9) 319(9) 0.01365 311.6 322.8
318(9) 318(9) 0.01149 311.6 323.1
325(10) 325(10) 0.01087 311.6 323.7
324(9) 324(9) 0.01306 311.6 324.7
323(10) 323(10) 0.01103 311.7 326.3
331(10) 331(10) 0.01076 311.7 328.9
334(9) 334(9) 0.01257 311.7 332.9
338(10) 338(10) 0.00978 311.7 339.7
349(13) 349(13) 0.00607 311.8 350.8
346(13) 346(13) 0.00612 311.8 368.6
406(11) 406(11) 0.00865 311.8 396.2
449(13) 449(13) 0.00632 311.8 436.8
511(12) 511(12) 0.00685 311.9 493.1
593(12) 593(12) 0.00705 311.9 565.8
682(16) 682(16) 0.00401 311.9 652.6
768(17) 768(17) 0.00354 311.9 746.9
844(16) 844(16) 0.00382 312.0 837.9
923(20) 923(20) 0.002485 312.0 911.8
981(22) 981(22) 0.002095 312.0 954.9
975(17) 975(17) 0.00355 312.0 957.9
943(16) 943(16) 0.00372 312.1 918.7
859(14) 859(14) 0.00501 312.1 844.2
762(15) 762(15) 0.00440 312.1 748.6
648(18) 648(18) 0.003236 312.1 648.5
581(13) 581(13) 0.00608 312.2 557.1
496(11) 496(11) 0.00883 312.2 482.0
417(11) 417(11) 0.00849 312.2 425.8
387(10) 387(10) 0.00932 312.2 387.2
357(9) 357(9) 0.01221 312.3 362.6
332(10) 332(10) 0.01094 312.3 347.9
327(9) 327(9) 0.01141 312.3 339.7
330(9) 330(9) 0.01330 312.3 335.3
336(10) 336(10) 0.01035 312.4 333.2
344(12) 344(12) 0.00646 312.4 332.3
319(12) 319(12) 0.00696 312.4 332.5
349(10) 349(10) 0.01058 312.4 333.7
353(11) 353(11) 0.00867 312.5 336.5
355(10) 355(10) 0.01022 312.5 341.9
360(9) 360(9) 0.01226 312.5 351.5
374(11) 374(11) 0.00800 312.5 367.7
407(12) 407(12) 0.00707 312.6 393.9
468(12) 468(12) 0.00732 312.6 433.4
531(15) 531(15) 0.00465 312.6 489.1
592(16) 592(16) 0.00376 312.6 561.5
689(14) 689(14) 0.00530 312.6 647.5
789(15) 789(15) 0.00456 312.7 739.1
871(14) 871(14) 0.00488 312.7 823.6
931(16) 931(16) 0.00371 312.7 886.0
905(20) 905(20) 0.002417 312.7 912.0
903(16) 903(16) 0.00402 312.8 893.9
840(14) 840(14) 0.00528 312.8 835.1
762(14) 762(14) 0.00484 312.8 749.2
669(13) 669(13) 0.00562 312.8 653.5
562(11) 562(11) 0.00831 312.8 562.7
463(11) 463(11) 0.00794 312.9 486.3
410(10) 410(10) 0.00990 312.9 428.0
368(9) 368(9) 0.01171 312.9 387.4
334(10) 334(10) 0.00998 312.9 361.1
330(12) 330(12) 0.00742 313.0 345.3
340(12) 340(12) 0.00728 313.0 336.2
331(9) 331(9) 0.01164 313.0 331.1
325(10) 325(10) 0.00998 313.0 328.4
325(10) 325(10) 0.00926 313.0 327.0
326(10) 326(10) 0.01029 313.1 326.7
305(11) 305(11) 0.00812 313.1 327.2
319(9) 319(9) 0.01189 313.1 328.6
329(9) 329(9) 0.01285 313.1 331.0
332(10) 332(10) 0.01006 313.1 334.3
324(11) 324(11) 0.00759 313.2 338.1
343(12) 343(12) 0.00716 313.2 342.0
344(9) 344(9) 0.01113 313.2 345.3
349(10) 349(10) 0.00917 313.2 347.2
353(11) 353(11) 0.00787 313.2 347.2
341(11) 341(11) 0.00887 313.3 345.1
322(10) 322(10) 0.01058 313.3 341.4
320(9) 320(9) 0.01240 313.3 336.8
316(9) 316(9) 0.01349 313.3 332.2
311(10) 311(10) 0.01074 313.3 328.1
320(11) 320(11) 0.00759 313.3 324.8
328(9) 328(9) 0.01113 313.4 322.4
322(10) 322(10) 0.00961 313.4 320.8
317(11) 317(11) 0.00831 313.4 319.9
334(11) 334(11) 0.00880 313.4 319.3
317(9) 317(9) 0.01216 313.4 319.1
316(9) 316(9) 0.01218 313.4 319.0
327(11) 327(11) 0.00898 313.5 319.0
325(9) 325(9) 0.01166 313.5 319.2
322(9) 322(9) 0.01205 313.5 319.4
320(10) 320(10) 0.00921 313.5 319.7
317(9) 317(9) 0.01197 313.5 320.2
319(9) 319(9) 0.01213 313.5 321.0
323(10) 323(10) 0.00910 313.6 322.3
332(9) 332(9) 0.01134 313.6 324.3
330(10) 330(10) 0.00934 313.6 327.6
322(11) 322(11) 0.00818 313.6 332.4
323(10) 323(10) 0.00912 313.6 339.4
339(12) 339(12) 0.00683 313.6 349.0
365(12) 365(12) 0.00641 313.6 361.2
367(12) 367(12) 0.00649 313.7 376.1
374(10) 374(10) 0.00961 313.7 393.2
392(11) 392(11) 0.00761 313.7 412.1
415(13) 415(13) 0.00635 313.7 432.6
435(12) 435(12) 0.00674 313.7 454.7
473(14) 473(14) 0.00485 313.7 478.7
492(12) 492(12) 0.00721 313.7 504.9
529(14) 529(14) 0.00527 313.8 531.9
558(14) 558(14) 0.00538 313.8 556.1
566(13) 566(13) 0.00580 313.8 572.7
561(13) 561(13) 0.00603 313.8 576.4
563(12) 563(12) 0.00698 313.8 564.3
559(13) 559(13) 0.00587 313.8 537.8
500(12) 500(12) 0.00692 313.8 501.6
465(11) 465(11) 0.00864 313.8 462.0
434(11) 434(11) 0.00760 313.8 424.4
388(11) 388(11) 0.00892 313.9 392.5
361(9) 361(9) 0.01113 313.9 367.9
341(10) 341(10) 0.00971 313.9 350.4
327(10) 327(10) 0.01048 313.9 339.0
321(11) 321(11) 0.00880 313.9 332.2
322(10) 322(10) 0.00943 313.9 328.6
324(10) 324(10) 0.00974 313.9 327.3
315(12) 315(12) 0.00654 313.9 328.1
340(13) 340(13) 0.00607 313.9 330.7
328(13) 328(13) 0.00630 313.9 335.6
339(10) 339(10) 0.00998 314.0 343.0
333(11) 333(11) 0.00854 314.0 353.0
340(11) 340(11) 0.00892 314.0 365.1
362(11) 362(11) 0.00869 314.0 378.3
362(13) 362(13) 0.00566 314.0 390.7
369(11) 369(11) 0.00873 314.0 400.0
377(12) 377(12) 0.00688 314.0 404.1
373(10) 373(10) 0.00914 314.0 401.8
367(10) 367(10) 0.01000 314.0 393.6
368(11) 368(11) 0.00865 314.0 381.2
352(9) 352(9) 0.01134 314.0 367.4
337(10) 337(10) 0.01087 314.0 354.1
327(10) 327(10) 0.00978 314.0 342.9
334(9) 334(9) 0.01176 314.1 334.3
333(10) 333(10) 0.01108 314.1 328.2
315(10) 315(10) 0.01014 314.1 324.3
312(9) 312(9) 0.01265 314.1 321.9
312(9) 312(9) 0.01176 314.1 320.5
316(10) 316(10) 0.01008 314.1 319.8
314(11) 314(11) 0.00826 314.1 319.4
318(10) 318(10) 0.01069 314.1 319.2
323(10) 323(10) 0.00984 314.1 319.1
325(12) 325(12) 0.00699 314.1 319.1
331(12) 331(12) 0.00689 314.1 319.1
327(12) 327(12) 0.00716 314.1 319.2
338(10) 338(10) 0.00948 314.1 319.4
316(11) 316(11) 0.00842 314.1 319.7
317(10) 317(10) 0.01069 314.1 320.1
332(10) 332(10) 0.00952 314.1 320.7
343(12) 343(12) 0.00664 314.1 321.8
350(12) 350(12) 0.00642 314.1 323.6
345(10) 345(10) 0.00963 314.1 326.7
340(10) 340(10) 0.01096 314.1 331.7
337(11) 337(11) 0.00882 314.1 339.6
346(13) 346(13) 0.00581 314.1 351.3
348(13) 348(13) 0.00589 314.1 367.2
374(11) 374(11) 0.00875 314.1 387.2
388(12) 388(12) 0.00715 314.1 410.0
398(12) 398(12) 0.00705 314.1 433.0
412(12) 412(12) 0.00721 314.1 452.6
419(14) 419(14) 0.00478 314.1 464.8
440(12) 440(12) 0.00744 314.1 466.6
441(11) 441(11) 0.00843 314.1 457.4
424(12) 424(12) 0.00711 314.1 439.3
381(14) 381(14) 0.00533 314.1 416.7
370(13) 370(13) 0.00553 314.1 393.4
364(10) 364(10) 0.00914 314.1 372.7
348(11) 348(11) 0.00818 314.1 356.2
325(11) 325(11) 0.00763 314.1 344.3
322(11) 322(11) 0.00873 314.1 336.8
342(10) 342(10) 0.00925 314.1 332.7
342(10) 342(10) 0.00994 314.1 331.6
336(9) 336(9) 0.01113 314.1 333.0
332(11) 332(11) 0.00895 314.1 337.2
350(13) 350(13) 0.00570 314.1 344.8
357(10) 357(10) 0.00952 314.1 356.6
360(11) 360(11) 0.00837 314.1 373.2
378(12) 378(12) 0.00690 314.1 394.9
444(12) 444(12) 0.00690 314.1 420.6
427(11) 427(11) 0.00870 314.1 448.6
434(11) 434(11) 0.00865 314.1 475.9
462(12) 462(12) 0.00661 314.1 499.8
487(12) 487(12) 0.00746 314.1 518.3
518(12) 518(12) 0.00724 314.1 532.1
556(13) 556(13) 0.00550 314.1 544.8
566(12) 566(12) 0.00643 314.1 561.1
592(13) 592(13) 0.00632 314.1 583.8
633(14) 633(14) 0.00483 314.1 612.0
663(14) 663(14) 0.00543 314.0 640.6
703(15) 703(15) 0.00417 314.0 661.6
736(17) 736(17) 0.003493 314.0 666.4
725(15) 725(15) 0.00418 314.0 650.0
649(17) 649(17) 0.00364 314.0 613.4
592(16) 592(16) 0.00403 314.0 563.7
516(15) 516(15) 0.00468 314.0 509.7
473(12) 473(12) 0.00728 314.0 459.0
433(12) 433(12) 0.00715 314.0 416.4
393(12) 393(12) 0.00660 314.0 383.9
369(11) 369(11) 0.00828 314.0 361.1
339(12) 339(12) 0.00705 314.0 346.5
335(10) 335(10) 0.01039 314.0 337.8
324(11) 324(11) 0.00905 313.9 333.2
319(10) 319(10) 0.01004 313.9 331.2
325(10) 325(10) 0.00998 313.9 331.1
330(13) 330(13) 0.00618 313.9 332.5
322(13) 322(13) 0.00629 313.9 335.1
330(10) 330(10) 0.01006 313.9 339.2
339(11) 339(11) 0.00815 313.9 344.8
355(10) 355(10) 0.00941 313.9 352.2
376(10) 376(10) 0.01074 313.9 361.6
392(12) 392(12) 0.00698 313.9 372.8
409(12) 409(12) 0.00652 313.8 385.4
431(12) 431(12) 0.00742 313.8 398.2
444(14) 444(14) 0.00507 313.8 409.3
430(15) 430(15) 0.00442 313.8 416.5
440(11) 440(11) 0.00787 313.8 417.8
438(12) 438(12) 0.00755 313.8 412.4
434(10) 434(10) 0.00910 313.8 401.4
429(12) 429(12) 0.00732 313.8 387.1
421(14) 421(14) 0.00483 313.7 372.2
375(10) 375(10) 0.00937 313.7 358.8
343(9) 343(9) 0.01235 313.7 347.9
321(10) 321(10) 0.01085 313.7 340.1
333(10) 333(10) 0.00992 313.7 335.2
332(9) 332(9) 0.01192 313.7 333.0
329(10) 329(10) 0.01002 313.7 333.2
330(10) 330(10) 0.00943 313.7 335.9
330(9) 330(9) 0.01129 313.6 341.5
338(11) 338(11) 0.00862 313.6 350.6
384(14) 384(14) 0.00487 313.6 364.2
410(15) 410(15) 0.00456 313.6 383.2
452(12) 452(12) 0.00680 313.6 408.1
494(14) 494(14) 0.00507 313.6 439.2
544(13) 544(13) 0.00566 313.5 476.1
602(13) 602(13) 0.00614 313.5 518.4
631(16) 631(16) 0.00397 313.5 565.4
674(17) 674(17) 0.00360 313.5 616.5
721(16) 721(16) 0.00402 313.5 671.1
777(20) 777(20) 0.002546 313.5 727.2
828(22) 828(22) 0.002139 313.5 779.8
802(16) 802(16) 0.00390 313.4 820.3
813(16) 813(16) 0.00376 313.4 838.5
791(15) 791(15) 0.00467 313.4 827.1
759(16) 759(16) 0.00386 313.4 785.8
704(19) 704(19) 0.002649 313.4 721.4
632(14) 632(14) 0.00502 313.3 645.1
572(12) 572(12) 0.00671 313.3 568.1
510(13) 510(13) 0.00621 313.3 499.0
430(12) 430(12) 0.00739 313.3 442.7
389(10) 389(10) 0.00973 313.3 400.5
359(11) 359(11) 0.00846 313.3 371.1
340(10) 340(10) 0.01048 313.2 351.9
331(10) 331(10) 0.01006 313.2 340.0
337(11) 337(11) 0.00839 313.2 332.8
333(12) 333(12) 0.00697 313.2 328.5
323(12) 323(12) 0.00727 313.2 325.8
322(10) 322(10) 0.00957 313.1 324.0
324(11) 324(11) 0.00887 313.1 322.7
320(12) 320(12) 0.00666 313.1 321.7
316(11) 316(11) 0.00900 313.1 320.9
325(12) 325(12) 0.00705 313.1 320.2
324(10) 324(10) 0.00957 313.0 319.6
321(10) 321(10) 0.01041 313.0 319.1
322(11) 322(11) 0.00880 313.0 318.7
337(12) 337(12) 0.00677 313.0 318.3
338(12) 338(12) 0.00689 312.9 317.9
326(10) 326(10) 0.00956 312.9 317.6
318(11) 318(11) 0.00897 312.9 317.3
321(12) 321(12) 0.00647 312.9 317.1
314(12) 314(12) 0.00682 312.9 316.9
322(11) 322(11) 0.00885 312.8 316.7
309(9) 309(9) 0.01164 312.8 316.5
306(10) 306(10) 0.01087 312.8 316.3
321(11) 321(11) 0.00880 312.8 316.2
329(12) 329(12) 0.00697 312.7 316.1
327(11) 327(11) 0.00902 312.7 316.1
322(11) 322(11) 0.00867 312.7 316.1
327(13) 327(13) 0.00616 312.7 316.2
324(10) 324(10) 0.00992 312.6 316.5
321(10) 321(10) 0.01092 312.6 316.9
319(10) 319(10) 0.00916 312.6 317.7
318(10) 318(10) 0.01067 312.6 318.7
322(10) 322(10) 0.01081 312.6 320.0
330(11) 330(11) 0.00885 312.5 321.5
335(10) 335(10) 0.01008 312.5 323.1
333(10) 333(10) 0.01054 312.5 324.3
327(11) 327(11) 0.00895 312.5 325.1
333(10) 333(10) 0.01014 312.4 325.1
325(10) 325(10) 0.01087 312.4 324.4
306(10) 306(10) 0.00919 312.4 323.1
296(12) 296(12) 0.00686 312.3 321.5
306(10) 306(10) 0.01043 312.3 319.9
313(11) 313(11) 0.00883 312.3 318.5
315(12) 315(12) 0.00727 312.3 317.4
322(12) 322(12) 0.00712 312.2 316.6
324(11) 324(11) 0.00785 312.2 316.1
322(11) 322(11) 0.00870 312.2 315.8
332(13) 332(13) 0.00607 312.2 315.7
322(10) 322(10) 0.01004 312.1 315.8
321(11) 321(11) 0.00854 312.1 316.0
327(11) 327(11) 0.00842 312.1 316.5
323(10) 323(10) 0.00934 312.1 317.3
318(12) 318(12) 0.00704 312.0 318.8
324(10) 324(10) 0.00954 312.0 321.1
327(9) 327(9) 0.01137 312.0 324.8
329(10) 329(10) 0.01067 311.9 330.3
333(10) 333(10) 0.00926 311.9 337.8
340(10) 340(10) 0.01087 311.9 347.3
347(10) 347(10) 0.01016 311.9 358.3
351(11) 351(11) 0.00878 311.8 369.5
369(10) 369(10) 0.00994 311.8 379.6
387(11) 387(11) 0.00905 311.8 386.7
405(12) 405(12) 0.00756 311.7 389.5
402(10) 402(10) 0.00930 311.7 387.7
392(11) 392(11) 0.00775 311.7 382.1
379(13) 379(13) 0.00594 311.6 374.4
386(11) 386(11) 0.00804 311.6 365.8
397(13) 397(13) 0.00613 311.6 357.3
394(13) 394(13) 0.00628 311.6 349.4
369(12) 369(12) 0.00680 311.5 342.2
358(10) 358(10) 0.00909 311.5 336.0
361(11) 361(11) 0.00828 311.5 330.9
364(13) 364(13) 0.00616 311.4 327.0
352(11) 352(11) 0.00882 311.4 324.2
331(12) 331(12) 0.00756 311.4 322.6
336(10) 336(10) 0.01031 311.3 322.3
330(10) 330(10) 0.00923 311.3 323.4
319(10) 319(10) 0.00988 311.3 326.4
324(10) 324(10) 0.01054 311.3 331.9
336(10) 336(10) 0.01035 311.2 340.7
354(9) 354(9) 0.01137 311.2 353.7
374(10) 374(10) 0.00910 311.2 371.0
396(11) 396(11) 0.00873 311.1 392.3
431(10) 431(10) 0.00925 311.1 416.0
467(12) 467(12) 0.00728 311.1 439.5
489(12) 489(12) 0.00706 311.0 459.1
509(11) 509(11) 0.00792 311.0 471.3
523(12) 523(12) 0.00650 311.0 474.1
509(12) 509(12) 0.00688 310.9 467.9
495(13) 495(13) 0.00584 310.9 455.4
468(12) 468(12) 0.00672 310.9 439.8
428(12) 428(12) 0.00756 310.8 423.8
407(14) 407(14) 0.00510 310.8 408.4
400(14) 400(14) 0.00521 310.8 394.1
412(14) 412(14) 0.00506 310.7 380.6
364(10) 364(10) 0.00982 310.7 367.9
356(11) 356(11) 0.00809 310.7 356.2
352(11) 352(11) 0.00898 310.6 345.8
339(10) 339(10) 0.00957 310.6 337.1
319(12) 319(12) 0.00654 310.6 330.2
338(13) 338(13) 0.00617 310.5 325.0
322(9) 322(9) 0.01127 310.5 321.3
315(9) 315(9) 0.01257 310.5 318.9
315(10) 315(10) 0.00984 310.4 317.4
326(12) 326(12) 0.00700 310.4 316.5
331(12) 331(12) 0.00707 310.4 316.2
327(10) 327(10) 0.01101 310.3 316.3
321(10) 321(10) 0.00956 310.3 316.8
320(11) 320(11) 0.00870 310.3 318.0
331(10) 331(10) 0.00937 310.2 320.0
334(12) 334(12) 0.00686 310.2 323.0
342(10) 342(10) 0.01043 310.1 326.9
348(9) 348(9) 0.01134 310.1 331.5
352(11) 352(11) 0.00882 310.1 336.6
356(12) 356(12) 0.00645 310.0 341.2
368(13) 368(13) 0.00634 310.0 344.6
387(10) 387(10) 0.00919 310.0 346.1
386(11) 386(11) 0.00800 309.9 345.0
383(12) 383(12) 0.00670 309.9 341.9
386(12) 386(12) 0.00721 309.9 337.3
349(11) 349(11) 0.00904 309.8 332.4
349(10) 349(10) 0.01069 309.8 327.7
338(9) 338(9) 0.01184 309.8 323.9
320(10) 320(10) 0.00969 309.7 321.2
328(12) 328(12) 0.00698 309.7 319.8
337(12) 337(12) 0.00734 309.6 319.7
327(10) 327(10) 0.01081 309.6 321.1
315(9) 315(9) 0.01197 309.6 324.2
315(10) 315(10) 0.01069 309.5 329.2
333(11) 333(11) 0.00797 309.5 336.2
342(11) 342(11) 0.00772 309.5 345.1
359(10) 359(10) 0.00973 309.4 355.6
369(11) 369(11) 0.00878 309.4 366.6
361(13) 361(13) 0.00629 309.3 377.1
371(10) 371(10) 0.00912 309.3 385.6
375(12) 375(12) 0.00718 309.3 391.4
381(10) 381(10) 0.00921 309.2 394.7
384(10) 384(10) 0.00986 309.2 396.4
376(11) 376(11) 0.00897 309.2 397.8
382(12) 382(12) 0.00701 309.1 399.1
385(12) 385(12) 0.00684 309.1 400.0
388(11) 388(11) 0.00904 309.0 399.2
380(11) 380(11) 0.00859 309.0 395.2
359(13) 359(13) 0.00628 309.0 387.5
361(13) 361(13) 0.00629 308.9 376.7
354(10) 354(10) 0.00963 308.9 364.6
355(9) 355(9) 0.01129 308.9 352.6
352(10) 352(10) 0.01078 308.8 342.0
341(10) 341(10) 0.00992 308.8 333.4
326(11) 326(11) 0.00842 308.7 327.1
322(10) 322(10) 0.01048 308.7 323.0
325(11) 325(11) 0.00836 308.7 320.6
327(12) 327(12) 0.00709 308.6 319.7
323(11) 323(11) 0.00783 308.6 320.2
319(10) 319(10) 0.01087 308.5 322.3
323(10) 323(10) 0.01050 308.5 326.3
333(11) 333(11) 0.00760 308.5 333.1
352(10) 352(10) 0.00965 308.4 343.5
367(10) 367(10) 0.00923 308.4 358.2
380(12) 380(12) 0.00672 308.4 377.4
385(11) 385(11) 0.00904 308.3 400.4
398(11) 398(11) 0.00853 308.3 425.4
418(13) 418(13) 0.00608 308.2 449.2
438(11) 438(11) 0.00780 308.2 468.0
449(13) 449(13) 0.00603 308.2 477.9
445(14) 445(14) 0.00522 308.1 476.6
419(13) 419(13) 0.00609 308.1 464.5
401(14) 401(14) 0.00517 308.0 444.2
390(14) 390(14) 0.00538 308.0 419.6
385(14) 385(14) 0.00545 308.0 394.8
361(10) 361(10) 0.00917 307.9 372.7
344(11) 344(11) 0.00794 307.9 354.8
338(12) 338(12) 0.00685 307.8 341.7
336(12) 336(12) 0.00747 307.8 333.2
325(13) 325(13) 0.00631 307.8 328.5
310(10) 310(10) 0.01078 307.7 327.2
325(11) 325(11) 0.00774 307.7 328.5
335(11) 335(11) 0.00818 307.6 332.2
330(11) 330(11) 0.00818 307.6 338.3
331(14) 331(14) 0.00541 307.6 346.6
357(14) 357(14) 0.00502 307.5 357.3
349(10) 349(10) 0.00935 307.5 369.9
368(12) 368(12) 0.00670 307.4 384.1
382(11) 382(11) 0.00779 307.4 398.9
384(10) 384(10) 0.00937 307.4 413.0
409(13) 409(13) 0.00591 307.3 424.7
410(13) 410(13) 0.00590 307.3 431.3
403(12) 403(12) 0.00681 307.2 430.9
414(14) 414(14) 0.00534 307.2 422.8
405(14) 405(14) 0.00497 307.2 408.7
382(11) 382(11) 0.00765 307.1 391.1
369(11) 369(11) 0.00870 307.1 373.1
352(10) 352(10) 0.01096 307.0 356.6
333(11) 333(11) 0.00895 307.0 343.1
315(13) 315(13) 0.00581 307.0 332.9
327(11) 327(11) 0.00862 306.9 325.7
330(10) 330(10) 0.01020 306.9 321.2
330(11) 330(11) 0.00883 306.8 318.6
325(10) 325(10) 0.00998 306.8 317.6
320(9) 320(9) 0.01213 306.7 317.7
319(10) 319(10) 0.01002 306.7 319.1
339(11) 339(11) 0.00843 306.7 322.1
335(9) 335(9) 0.01113 306.6 327.1
335(11) 335(11) 0.00890 306.6 334.8
372(14) 372(14) 0.00497 306.5 345.4
362(14) 362(14) 0.00508 306.5 359.0
365(11) 365(11) 0.00801 306.5 374.8
381(12) 381(12) 0.00650 306.4 391.2
404(12) 404(12) 0.00748 306.4 405.9
433(11) 433(11) 0.00842 306.3 416.1
446(13) 446(13) 0.00562 306.3 419.2
446(13) 446(13) 0.00550 306.3 414.5
435(12) 435(12) 0.00677 306.2 403.2
423(15) 423(15) 0.00457 306.2 388.1
397(16) 397(16) 0.00399 306.1 372.1
373(11) 373(11) 0.00872 306.1 357.5
355(11) 355(11) 0.00822 306.0 346.0
339(10) 339(10) 0.01039 306.0 338.4
325(11) 325(11) 0.00859 306.0 335.4
324(13) 324(13) 0.00575 305.9 337.2
339(10) 339(10) 0.00948 305.9 344.3
350(10) 350(10) 0.01101 305.8 357.0
363(11) 363(11) 0.00892 305.8 375.2
390(12) 390(12) 0.00738 305.8 398.4
427(11) 427(11) 0.00789 305.7 424.7
457(13) 457(13) 0.00637 305.7 451.0
450(13) 450(13) 0.00632 305.6 473.5
475(12) 475(12) 0.00676 305.6 487.7
501(14) 501(14) 0.00512 305.5 490.7
501(17) 501(17) 0.003307 305.5 482.5
461(17) 461(17) 0.00363 305.5 465.9
443(12) 443(12) 0.00646 305.4 445.3
416(13) 416(13) 0.00565 305.4 424.3
394(12) 394(12) 0.00691 305.3 405.0
378(11) 378(11) 0.00878 305.3 388.2
343(12) 343(12) 0.00690 305.2 373.7
343(13) 343(13) 0.00633 305.2 361.2
343(12) 343(12) 0.00755 305.2 350.6
314(13) 314(13) 0.00627 305.1 341.8
311(13) 311(13) 0.00559 305.1 335.0
326(11) 326(11) 0.00853 305.0 330.4
340(11) 340(11) 0.00834 305.0 328.4
337(10) 337(10) 0.01020 305.0 329.3
331(11) 331(11) 0.00812 304.9 333.3
332(14) 332(14) 0.00508 304.9 340.6
348(11) 348(11) 0.00780 304.8 351.2
350(10) 350(10) 0.00928 304.8 364.2
353(11) 353(11) 0.00785 304.7 378.3
372(12) 372(12) 0.00756 304.7 391.6
370(10) 370(10) 0.00925 304.7 401.6
367(11) 367(11) 0.00789 304.6 405.8
380(11) 380(11) 0.00772 304.6 403.3
377(10) 377(10) 0.00943 304.5 394.7
373(12) 373(12) 0.00751 304.5 382.3
379(15) 379(15) 0.00468 304.4 368.8
357(14) 357(14) 0.00498 304.4 356.5
328(10) 328(10) 0.00914 304.4 347.3
324(12) 324(12) 0.00755 304.3 342.2
328(11) 328(11) 0.00890 304.3 341.4
335(10) 335(10) 0.01056 304.2 344.6
333(12) 333(12) 0.00732 304.2 350.9
359(13) 359(13) 0.00639 304.1 359.0
390(12) 390(12) 0.00711 304.1 367.0
387(14) 387(14) 0.00527 304.1 372.9
371(15) 371(15) 0.00470 304.0 375.1
391(11) 391(11) 0.00767 304.0 372.7
382(11) 382(11) 0.00772 303.9 366.1
372(10) 372(10) 0.00952 303.9 357.0
355(11) 355(11) 0.00799 303.9 347.0
304(13) 304(13) 0.00589 303.8 337.4
312(10) 312(10) 0.00956 303.8 329.2
304(9) 304(9) 0.01187 303.7 322.8
295(10) 295(10) 0.01022 303.7 318.2
301(10) 301(10) 0.00976 303.6 315.3
297(8) 297(8) 0.01466 303.6 313.6
293(9) 293(9) 0.01248 303.6 313.0
307(12) 307(12) 0.00736 303.5 313.2
308(9) 308(9) 0.01139 303.5 314.4
313(9) 313(9) 0.01179 303.4 316.8
325(11) 325(11) 0.00851 303.4 320.5
327(9) 327(9) 0.01151 303.3 325.8
331(9) 331(9) 0.01115 303.3 332.9
338(11) 338(11) 0.00825 303.3 341.4
360(10) 360(10) 0.01037 303.2 350.8
372(10) 372(10) 0.01000 303.2 359.8
373(12) 373(12) 0.00750 303.1 367.0
372(10) 372(10) 0.01020 303.1 371.1
378(10) 378(10) 0.00974 303.0 371.0
391(12) 391(12) 0.00711 303.0 367.3
372(13) 372(13) 0.00630 303.0 361.5
359(10) 359(10) 0.00984 302.9 355.6
344(11) 344(11) 0.00897 302.9 351.7
329(12) 329(12) 0.00719 302.8 351.6
324(12) 324(12) 0.00729 302.8 356.5
334(12) 334(12) 0.00738 302.7 367.1
362(11) 362(11) 0.00771 302.7 382.9
392(13) 392(13) 0.00583 302.7 402.6
426(11) 426(11) 0.00816 302.6 423.4
442(12) 442(12) 0.00691 302.6 442.0
451(14) 451(14) 0.00521 302.5 454.3
484(14) 484(14) 0.00515 302.5 457.2
468(12) 468(12) 0.00646 302.4 449.9
445(10) 445(10) 0.00909 302.4 434.2
422(11) 422(11) 0.00774 302.4 414.1
402(13) 402(13) 0.00628 302.3 393.1
386(12) 386(12) 0.00683 302.3 374.6
374(11) 374(11) 0.00812 302.2 360.8
363(12) 363(12) 0.00689 302.2 353.1
351(10) 351(10) 0.01061 302.1 352.7
349(10) 349(10) 0.00916 302.1 360.2
363(12) 363(12) 0.00729 302.1 376.2
391(11) 391(11) 0.00778 302.0 400.6
434(11) 434(11) 0.00895 302.0 432.5
468(12) 468(12) 0.00676 301.9 469.5
497(14) 497(14) 0.00504 301.9 507.3
538(14) 538(14) 0.00492 301.8 540.2
582(14) 582(14) 0.00519 301.8 561.5
607(16) 607(16) 0.00403 301.8 566.2
581(15) 581(15) 0.00438 301.7 552.7
543(12) 543(12) 0.00684 301.7 524.9
495(11) 495(11) 0.00813 301.6 489.2
434(12) 434(12) 0.00699 301.6 452.0
405(10) 405(10) 0.01008 301.5 418.6
371(11) 371(11) 0.00893 301.5 391.9
341(12) 341(12) 0.00712 301.5 373.4
330(13) 330(13) 0.00606 301.4 362.8
322(10) 322(10) 0.01016 301.4 358.9
322(9) 322(9) 0.01174 301.3 359.8
323(10) 323(10) 0.00934 301.3 363.6
307(12) 307(12) 0.00651 301.2 368.8
349(13) 349(13) 0.00572 301.2 374.2
357(10) 357(10) 0.00912 301.2 379.6
348(11) 348(11) 0.00792 301.1 386.0
354(11) 354(11) 0.00806 301.1 394.4
385(11) 385(11) 0.00774 301.0 405.5
414(14) 414(14) 0.00478 301.0 418.8
440(12) 440(12) 0.00734 300.9 432.8
452(11) 452(11) 0.00831 300.9 444.9
462(12) 462(12) 0.00644 300.9 452.4
488(16) 488(16) 0.00405 300.8 453.6
471(15) 471(15) 0.00425 300.8 449.1
467(12) 467(12) 0.00698 300.7 441.6
436(13) 436(13) 0.00640 300.7 434.3
412(13) 412(13) 0.00608 300.6 430.3
404(12) 404(12) 0.00707 300.6 432.5
396(11) 396(11) 0.00790 300.6 443.1
427(11) 427(11) 0.00757 300.5 463.5
464(11) 464(11) 0.00799 300.5 493.6
501(13) 501(13) 0.00596 300.4 531.4
521(16) 521(16) 0.00381 300.4 572.4
568(17) 568(17) 0.00353 300.3 610.7
620(14) 620(14) 0.00512 300.3 639.1
660(14) 660(14) 0.00505 300.3 652.5
681(15) 681(15) 0.00429 300.2 650.7
633(16) 633(16) 0.00386 300.2 639.1
614(16) 614(16) 0.00384 300.1 625.1
605(14) 605(14) 0.00516 300.1 614.3
599(14) 599(14) 0.00481 300.0 608.7
610(17) 610(17) 0.003392 300.0 606.6
615(14) 615(14) 0.00481 300.0 603.3
628(16) 628(16) 0.00376 299.9 592.8
627(14) 627(14) 0.00497 299.9 572.0
612(13) 612(13) 0.00550 299.8 542.0
588(14) 588(14) 0.00502 299.8 506.8
521(14) 521(14) 0.00477 299.7 470.8
470(14) 470(14) 0.00514 299.7 437.3
438(12) 438(12) 0.00722 299.7 408.2
406(12) 406(12) 0.00734 299.6 384.2
374(13) 374(13) 0.00550 299.6 365.1
375(13) 375(13) 0.00557 299.5 350.4
347(11) 347(11) 0.00869 299.5 339.4
338(10) 338(10) 0.01083 299.4 331.2
330(10) 330(10) 0.01033 299.4 325.4
320(10) 320(10) 0.00932 299.4 321.3
317(11) 317(11) 0.00759 299.3 318.8
327(10) 327(10) 0.00984 299.3 317.6
326(10) 326(10) 0.00934 299.2 317.7
312(12) 312(12) 0.00754 299.2 319.5
326(11) 326(11) 0.00904 299.1 323.2
327(9) 327(9) 0.01129 299.1 329.3
332(10) 332(10) 0.01074 299.1 338.2
344(11) 344(11) 0.00853 299.0 349.9
344(10) 344(10) 0.01076 299.0 363.9
349(10) 349(10) 0.01022 298.9 379.2
364(11) 364(11) 0.00807 298.9 393.9
371(10) 371(10) 0.00986 298.8 405.5
387(10) 387(10) 0.00917 298.8 411.6
415(12) 415(12) 0.00705 298.8 410.6
397(10) 397(10) 0.00943 298.7 403.0
383(11) 383(11) 0.00785 298.7 390.9
376(13) 376(13) 0.00622 298.6 377.2
373(11) 373(11) 0.00790 298.6 364.6
366(12) 366(12) 0.00647 298.5 355.1
354(12) 354(12) 0.00682 298.5 350.8
352(12) 352(12) 0.00682 298.5 353.1
347(10) 347(10) 0.00957 298.4 363.4
362(11) 362(11) 0.00801 298.4 382.6
401(13) 401(13) 0.00585 298.3 411.0
415(12) 415(12) 0.00705 298.3 447.9
456(14) 456(14) 0.00508 298.2 490.8
522(13) 522(13) 0.00558 298.2 535.3
571(17) 571(17) 0.00361 298.2 575.3
605(15) 605(15) 0.00430 298.1 603.6
629(15) 629(15) 0.00453 298.1 614.1
645(16) 645(16) 0.00404 298.0 604.8
625(14) 625(14) 0.00483 298.0 579.7
595(14) 595(14) 0.00484 297.9 545.2
551(14) 551(14) 0.00483 297.9 508.0
498(13) 498(13) 0.00632 297.9 472.8
452(12) 452(12) 0.00645 297.8 442.1
420(13) 420(13) 0.00634 297.8 417.0
406(12) 406(12) 0.00744 297.7 397.6
396(12) 396(12) 0.00724 297.7 383.4
392(12) 392(12) 0.00672 297.6 373.8
394(14) 394(14) 0.00512 297.6 367.7
390(12) 390(12) 0.00674 297.6 364.1
380(12) 380(12) 0.00650 297.5 362.0
375(14) 375(14) 0.00493 297.5 361.1
407(15) 407(15) 0.00450 297.4 361.6
382(14) 382(14) 0.00495 297.4 363.7
366(12) 366(12) 0.00723 297.3 367.6
386(14) 386(14) 0.00512 297.3 373.1
379(12) 379(12) 0.00698 297.3 379.0
378(13) 378(13) 0.00637 297.2 383.9
401(15) 401(15) 0.00455 297.2 386.2
390(14) 390(14) 0.00480 297.1 384.8
391(12) 391(12) 0.00648 297.1 379.9
381(11) 381(11) 0.00776 297.0 372.5
370(12) 370(12) 0.00646 297.0 363.5
360(14) 360(14) 0.00492 296.9 353.9
355(14) 355(14) 0.00514 296.9 344.4
355(12) 355(12) 0.00712 296.9 335.6
353(13) 353(13) 0.00551 296.8 328.1
338(11) 338(11) 0.00763 296.8 322.2
315(11) 315(11) 0.00769 296.7 318.0
300(13) 300(13) 0.00615 296.7 315.5
332(12) 332(12) 0.00752 296.6 315.0
321(10) 321(10) 0.00923 296.6 316.5
316(12) 316(12) 0.00748 296.6 320.2
321(13) 321(13) 0.00551 296.5 326.3
320(13) 320(13) 0.00575 296.5 334.6
335(12) 335(12) 0.00752 296.4 344.8
347(13) 347(13) 0.00559 296.4 356.2
365(14) 365(14) 0.00533 296.3 367.5
371(12) 371(12) 0.00692 296.3 377.1
373(12) 373(12) 0.00747 296.2 383.4
382(12) 382(12) 0.00652 296.2 385.5
384(11) 384(11) 0.00760 296.2 383.7
375(12) 375(12) 0.00643 296.1 379.2
358(14) 358(14) 0.00499 296.1 373.7
379(14) 379(14) 0.00480 296.0 368.7
344(11) 344(11) 0.00878 296.0 365.4
352(10) 352(10) 0.01000 295.9 364.9
365(11) 365(11) 0.00772 295.9 367.8
368(14) 368(14) 0.00488 295.9 374.1
399(15) 399(15) 0.00450 295.8 382.6
379(11) 379(11) 0.00792 295.8 391.7
394(13) 394(13) 0.00612 295.7 398.8
409(12) 409(12) 0.00718 295.7 401.5
415(11) 415(11) 0.00857 295.6 398.2
416(13) 416(13) 0.00586 295.6 389.2
393(13) 393(13) 0.00613 295.5 376.2
370(11) 370(11) 0.00757 295.5 361.5
362(13) 362(13) 0.00556 295.5 347.0
335(14) 335(14) 0.00511 295.4 334.1
309(10) 309(10) 0.00978 295.4 323.6
303(10) 303(10) 0.00982 295.3 315.5
290(9) 290(9) 0.01246 295.3 309.8
283(10) 283(10) 0.00982 295.2 305.9
317(13) 317(13) 0.00569 295.2 303.4
301(10) 301(10) 0.01004 295.1 301.8
309(9) 309(9) 0.01144 295.1 300.8
321(10) 321(10) 0.00944 295.1 300.1
327(11) 327(11) 0.00905 295.0 299.6
307(9) 307(9) 0.01187 295.0 299.2
288(10) 288(10) 0.01048 294.9 298.9
297(10) 297(10) 0.01002 294.9 298.7
304(9) 304(9) 0.01161 294.8 298.5
309(11) 309(11) 0.00907 294.8 298.3
310(13) 310(13) 0.00577 294.7 298.1
274(12) 274(12) 0.00655 294.7 298.0
297(10) 297(10) 0.00998 294.6 298.0
304(11) 304(11) 0.00806 294.6 297.9
302(10) 302(10) 0.00969 294.6 298.0
294(9) 294(9) 0.01208 294.5 298.2
294(11) 294(11) 0.00832 294.5 298.5
287(11) 287(11) 0.00832 294.4 299.1
286(10) 286(10) 0.00976 294.4 299.8
293(12) 293(12) 0.00689 294.3 300.9
291(13) 291(13) 0.00608 294.3 302.2
296(10) 296(10) 0.01018 294.2 303.5
291(10) 291(10) 0.01029 294.2 304.9
285(9) 285(9) 0.01260 294.1 306.0
284(10) 284(10) 0.00984 294.1 306.6
307(13) 307(13) 0.00586 294.1 306.5
302(10) 302(10) 0.00990 294.0 305.8
290(9) 290(9) 0.01243 294.0 304.7
282(10) 282(10) 0.01065 293.9 303.3
306(10) 306(10) 0.00963 293.9 301.9
311(9) 311(9) 0.01352 293.8 300.6
313(10) 313(10) 0.01090 293.8 299.5
313(13) 313(13) 0.00628 293.7 298.7
311(10) 311(10) 0.00976 293.7 298.2
301(9) 301(9) 0.01117 293.6 297.9
287(10) 287(10) 0.00928 293.6 297.7
306(10) 306(10) 0.01018 293.6 297.7
312(10) 312(10) 0.01074 293.5 297.8
308(11) 308(11) 0.00872 293.5 298.1
300(10) 300(10) 0.01065 293.4 298.5
298(9) 298(9) 0.01120 293.4 299.2
301(11) 301(11) 0.00890 293.3 300.3
323(10) 323(10) 0.00965 293.3 302.0
320(10) 320(10) 0.01056 293.2 304.6
302(11) 302(11) 0.00875 293.2 308.4
321(13) 321(13) 0.00605 293.1 313.8
340(11) 340(11) 0.00883 293.1 320.9
343(11) 343(11) 0.00760 293.0 329.6
346(13) 346(13) 0.00622 293.0 339.6
372(13) 372(13) 0.00578 292.9 350.3
385(13) 385(13) 0.00606 292.9 360.7
376(12) 376(12) 0.00700 292.9 369.9
387(14) 387(14) 0.00507 292.8 377.0
390(11) 390(11) 0.00776 292.8 382.1
397(12) 397(12) 0.00646 292.7 386.1
407(13) 407(13) 0.00585 292.7 390.4
409(12) 409(12) 0.00677 292.6 395.5
381(14) 381(14) 0.00525 292.6 401.5
399(11) 399(11) 0.00769 292.5 407.1
409(12) 409(12) 0.00646 292.5 410.7
408(13) 408(13) 0.00568 292.4 410.6
402(12) 402(12) 0.00645 292.4 406.1
390(12) 390(12) 0.00736 292.3 397.7
383(14) 383(14) 0.00519 292.3 387.0
366(11) 366(11) 0.00861 292.2 375.1
349(11) 349(11) 0.00765 292.2 363.3
340(11) 340(11) 0.00763 292.1 352.4
340(11) 340(11) 0.00877 292.1 343.3
349(10) 349(10) 0.00914 292.0 336.3
355(12) 355(12) 0.00747 292.0 331.5
353(12) 353(12) 0.00663 292.0 328.4
346(12) 346(12) 0.00756 291.9 326.2
339(11) 339(11) 0.00846 291.9 324.4
323(13) 323(13) 0.00618 291.8 322.1
329(13) 329(13) 0.00610 291.8 319.1
339(10) 339(10) 0.00914 291.7 315.7
330(10) 330(10) 0.01085 291.7 312.1
311(10) 311(10) 0.00957 291.6 308.7
301(10) 301(10) 0.01074 291.6 305.7
302(11) 302(11) 0.00877 291.5 303.3
308(11) 308(11) 0.00764 291.5 301.6
309(12) 309(12) 0.00731 291.4 300.6
307(10) 307(10) 0.01052 291.4 299.9
308(9) 308(9) 0.01280 291.3 299.7
311(10) 311(10) 0.01014 291.3 299.5
316(12) 316(12) 0.00666 291.2 299.4
300(12) 300(12) 0.00710 291.2 299.2
307(10) 307(10) 0.01052 291.1 298.9
303(11) 303(11) 0.00885 291.1 298.7
301(10) 301(10) 0.01076 291.0 298.7
302(10) 302(10) 0.01045 291.0 299.0
305(12) 305(12) 0.00699 290.9 299.9
298(10) 298(10) 0.01092 290.9 301.6
299(9) 299(9) 0.01321 290.8 304.4
304(10) 304(10) 0.01033 290.8 308.4
316(12) 316(12) 0.00667 290.7 313.7
302(12) 302(12) 0.00707 290.7 320.3
325(10) 325(10) 0.00990 290.6 327.6
335(11) 335(11) 0.00787 290.6 335.0
342(11) 342(11) 0.00763 290.5 341.6
352(10) 352(10) 0.00917 290.5 346.1
362(10) 362(10) 0.00965 290.4 347.5
360(11) 360(11) 0.00893 290.4 345.5
359(10) 359(10) 0.01099 290.3 340.6
354(11) 354(11) 0.00898 290.3 334.0
340(13) 340(13) 0.00633 290.2 326.9
340(11) 340(11) 0.00845 290.2 320.0
336(12) 336(12) 0.00655 290.1 314.2
330(10) 330(10) 0.00998 290.1 309.8
320(9) 320(9) 0.01134 290.0 306.9
307(10) 307(10) 0.00939 290.0 305.7
316(10) 316(10) 0.01094 289.9 306.3
322(9) 322(9) 0.01117 289.9 308.8
325(11) 325(11) 0.00888 289.8 313.6
333(10) 333(10) 0.01039 289.8 321.1
343(10) 343(10) 0.01041 289.7 331.8
356(11) 356(11) 0.00807 289.7 345.9
381(11) 381(11) 0.00890 289.6 363.4
393(10) 393(10) 0.00910 289.6 383.9
395(12) 395(12) 0.00723 289.5 406.1
433(14) 433(14) 0.00493 289.5 428.4
457(12) 457(12) 0.00706 289.4 448.5
470(13) 470(13) 0.00597 289.4 464.2
473(14) 473(14) 0.00489 289.3 474.5
465(14) 465(14) 0.00497 289.3 478.9
467(14) 467(14) 0.00526 289.2 477.2
479(13) 479(13) 0.00594 289.2 469.0
469(15) 469(15) 0.00466 289.1 454.8
437(12) 437(12) 0.00756 289.1 436.3
413(12) 413(12) 0.00692 289.0 416.1
394(12) 394(12) 0.00647 288.9 396.5
369(11) 369(11) 0.00794 288.9 379.5
381(14) 381(14) 0.00484 288.8 366.0
376(11) 376(11) 0.00846 288.8 356.1
375(12) 375(12) 0.00688 288.7 349.9
378(13) 378(13) 0.00640 288.7 346.8
367(11) 367(11) 0.00825 288.6 346.8
357(11) 357(11) 0.00810 288.6 349.5
382(14) 382(14) 0.00483 288.5 354.7
378(11) 378(11) 0.00840 288.5 362.1
378(12) 378(12) 0.00682 288.4 371.0
385(11) 385(11) 0.00782 288.4 380.6
393(11) 393(11) 0.00836 288.3 389.8
396(11) 396(11) 0.00796 288.3 398.2
393(12) 393(12) 0.00658 288.2 405.6
407(13) 407(13) 0.00586 288.1 411.7
408(12) 408(12) 0.00741 288.1 415.8
389(12) 389(12) 0.00754 288.0 416.8
390(15) 390(15) 0.00474 288.0 413.1
376(14) 376(14) 0.00494 287.9 404.3
372(11) 372(11) 0.00853 287.9 391.2
366(10) 366(10) 0.01004 287.8 375.6
359(10) 359(10) 0.00917 287.8 359.4
352(11) 352(11) 0.00905 287.7 344.3
326(11) 326(11) 0.00822 287.7 331.1
321(11) 321(11) 0.00774 287.6 320.7
326(11) 326(11) 0.00898 287.6 313.0
315(10) 315(10) 0.01006 287.5 308.1
316(9) 316(9) 0.01221 287.4 305.7
315(10) 315(10) 0.01006 287.4 305.4
312(11) 312(11) 0.00810 287.3 307.1
314(11) 314(11) 0.00854 287.3 310.3
328(10) 328(10) 0.00961 287.2 314.8
320(11) 320(11) 0.00761 287.2 320.1
318(9) 318(9) 0.01125 287.1 325.5
328(10) 328(10) 0.00946 287.1 330.2
343(11) 343(11) 0.00786 287.0 333.3
342(10) 342(10) 0.00930 286.9 333.9
338(9) 338(9) 0.01151 286.9 332.0
337(10) 337(10) 0.00934 286.8 327.8
335(11) 335(11) 0.00759 286.8 322.2
325(11) 325(11) 0.00831 286.7 316.2
335(10) 335(10) 0.00950 286.7 310.4
313(11) 313(11) 0.00796 286.6 305.4
298(11) 298(11) 0.00845 286.6 301.4
304(9) 304(9) 0.01176 286.5 298.5
310(9) 310(9) 0.01271 286.4 296.5
311(10) 311(10) 0.01024 286.4 295.5
317(9) 317(9) 0.01208 286.3 295.1
311(10) 311(10) 0.01029 286.3 295.1
297(11) 297(11) 0.00845 286.2 295.5
292(11) 292(11) 0.00787 286.2 295.9
307(10) 307(10) 0.01106 286.1 296.4
308(9) 308(9) 0.01306 286.0 297.0
305(10) 305(10) 0.01056 286.0 297.8
297(12) 297(12) 0.00705 285.9 299.0
301(12) 301(12) 0.00703 285.9 301.1
293(9) 293(9) 0.01181 285.8 304.4
296(10) 296(10) 0.00961 285.8 309.3
306(10) 306(10) 0.01000 285.7 316.0
317(10) 317(10) 0.01018 285.6 324.3
306(12) 306(12) 0.00688 285.6 333.9
325(10) 325(10) 0.01043 285.5 343.9
345(9) 345(9) 0.01154 285.5 353.0
363(11) 363(11) 0.00888 285.4 359.8
368(13) 368(13) 0.00568 285.3 362.9
346(13) 346(13) 0.00613 285.3 361.5
355(10) 355(10) 0.00956 285.2 356.1
349(11) 349(11) 0.00831 285.2 348.1
336(11) 336(11) 0.00797 285.1 338.9
327(10) 327(10) 0.00939 285.1 330.0
325(10) 325(10) 0.01043 285.0 322.2
327(10) 327(10) 0.01050 284.9 316.2
318(9) 318(9) 0.01285 284.9 312.1
306(10) 306(10) 0.01058 284.8 309.8
308(12) 308(12) 0.00680 284.8 308.9
314(10) 314(10) 0.01022 284.7 309.0
312(11) 312(11) 0.00845 284.6 309.5
305(11) 305(11) 0.00878 284.6 309.9
299(10) 299(10) 0.00974 284.5 309.5
309(10) 309(10) 0.01039 284.5 308.2
304(9) 304(9) 0.01192 284.4 306.1
295(10) 295(10) 0.00990 284.3 303.4
290(9) 290(9) 0.01115 284.3 300.6
291(9) 291(9) 0.01232 284.2 297.9
295(10) 295(10) 0.00992 284.2 295.6
304(10) 304(10) 0.01054 284.1 293.9
311(9) 311(9) 0.01149 284.0 292.9
315(10) 315(10) 0.00930 284.0 292.7
297(10) 297(10) 0.01096 283.9 293.4
296(11) 296(11) 0.00877 283.9 295.0
299(11) 299(11) 0.00898 283.8 297.5
299(10) 299(10) 0.00939 283.7 301.0
300(13) 300(13) 0.00637 283.7 305.2
313(13) 313(13) 0.00613 283.6 309.9
312(13) 312(13) 0.00618 283.5 314.7
328(10) 328(10) 0.00965 283.5 319.0
325(11) 325(11) 0.00816 283.4 322.2
317(11) 317(11) 0.00851 283.4 323.8
318(11) 318(11) 0.00878 283.3 323.7
349(14) 349(14) 0.00545 283.2 322.4
331(11) 331(11) 0.00765 283.2 320.4
329(13) 329(13) 0.00559 283.1 318.2
328(11) 328(11) 0.00820 283.1 316.1
322(10) 322(10) 0.00939 283.0 314.1
312(11) 312(11) 0.00793 282.9 312.1
314(11) 314(11) 0.00905 282.9 309.9
313(10) 313(10) 0.00971 282.8 307.3
309(11) 309(11) 0.00806 282.7 304.5
318(11) 318(11) 0.00890 282.7 301.8
315(10) 315(10) 0.00969 282.6 299.5
301(11) 301(11) 0.00826 282.6 297.7
300(10) 300(10) 0.00957 282.5 296.6
300(10) 300(10) 0.01010 282.4 296.2
303(11) 303(11) 0.00815 282.4 296.4
295(13) 295(13) 0.00624 282.3 297.1
284(10) 284(10) 0.00961 282.2 297.8
285(11) 285(11) 0.00815 282.2 298.4
300(12) 300(12) 0.00650 282.1 298.4
318(13) 318(13) 0.00621 282.0 297.8
313(12) 313(12) 0.00676 282.0 296.6
297(11) 297(11) 0.00829 281.9 295.1
275(12) 275(12) 0.00671 281.9 293.6
284(10) 284(10) 0.00950 281.8 292.2
294(11) 294(11) 0.00800 281.7 291.3
299(12) 299(12) 0.00731 281.7 291.0
303(11) 303(11) 0.00885 281.6 291.4
288(13) 288(13) 0.00638 281.5 292.6
291(10) 291(10) 0.00976 281.5 294.5
274(10) 274(10) 0.00925 281.4 296.9
260(11) 260(11) 0.00848 281.3 299.6
274(10) 274(10) 0.00944 281.3 302.3
294(10) 294(10) 0.00971 281.2 304.5
291(13) 291(13) 0.00626 281.1 305.8
283(10) 283(10) 0.01012 281.1 305.8
288(11) 288(11) 0.00834 281.0 304.6
291(11) 291(11) 0.00873 280.9 302.3
284(10) 284(10) 0.01037 280.9 299.5
298(10) 298(10) 0.00959 280.8 296.5
292(11) 292(11) 0.00854 280.8 293.6
282(11) 282(11) 0.00790 280.7 291.1
280(10) 280(10) 0.00932 280.6 289.2
277(10) 277(10) 0.01014 280.6 287.8
288(13) 288(13) 0.00624 280.5 287.1
279(12) 279(12) 0.00669 280.4 286.9
287(10) 287(10) 0.00986 280.4 287.3
284(9) 284(9) 0.01189 280.3 288.4
277(10) 277(10) 0.01061 280.2 290.0
284(10) 284(10) 0.01012 280.2 292.2
301(11) 301(11) 0.00797 280.1 295.1
309(11) 309(11) 0.00775 280.0 298.3
298(11) 298(11) 0.00878 280.0 301.7
300(10) 300(10) 0.01037 279.9 305.0
302(9) 302(9) 0.01321 279.8 307.8
305(10) 305(10) 0.01056 279.8 309.7
310(12) 310(12) 0.00717 279.7 310.6
324(12) 324(12) 0.00697 279.6 310.4
295(10) 295(10) 0.01069 279.5 309.2
304(11) 304(11) 0.00846 279.5 307.3
317(10) 317(10) 0.01069 279.4 304.8
322(10) 322(10) 0.01008 279.3 302.0
311(12) 311(12) 0.00727 279.3 299.2
300(10) 300(10) 0.01050 279.2 296.8
301(9) 301(9) 0.01330 279.1 295.0
301(10) 301(10) 0.01072 279.1 294.3
299(12) 299(12) 0.00744 279.0 294.8
297(11) 297(11) 0.00764 278.9 296.7
299(10) 299(10) 0.01048 278.9 300.1
307(11) 307(11) 0.00845 278.8 304.9
321(11) 321(11) 0.00804 278.7 311.0
330(10) 330(10) 0.01033 278.7 317.9
335(10) 335(10) 0.01094 278.6 325.0
343(11) 343(11) 0.00907 278.5 331.3
350(9) 350(9) 0.01139 278.5 335.9
353(10) 353(10) 0.00917 278.4 338.0
348(13) 348(13) 0.00628 278.3 337.1
351(14) 351(14) 0.00543 278.2 333.7
339(10) 339(10) 0.00910 278.2 328.8
331(9) 331(9) 0.01125 278.1 323.4
322(10) 322(10) 0.00917 278.0 318.5
304(13) 304(13) 0.00613 278.0 314.5
328(13) 328(13) 0.00569 277.9 311.9
301(10) 301(10) 0.01035 277.8 310.7
309(11) 309(11) 0.00813 277.8 310.7
305(10) 305(10) 0.00996 277.7 311.4
281(9) 281(9) 0.01312 277.6 312.1
289(11) 289(11) 0.00870 277.6 312.4
285(11) 285(11) 0.00872 277.5 311.6
272(10) 272(10) 0.01072 277.4 309.6
260(11) 260(11) 0.00804 277.3 306.8
264(12) 264(12) 0.00698 277.3 303.5
289(10) 289(10) 0.01092 277.2 300.2
291(10) 291(10) 0.01054 277.1 297.3
286(9) 286(9) 0.01291 277.1 294.8
284(12) 284(12) 0.00728 277.0 293.0
291(12) 291(12) 0.00649 276.9 291.7
290(10) 290(10) 0.01052 276.8 290.9
286(9) 286(9) 0.01300 276.8 290.4
292(9) 292(9) 0.01349 276.7 290.1
291(12) 291(12) 0.00719 276.6 289.8
286(13) 286(13) 0.00634 276.6 289.8
300(10) 300(10) 0.01024 276.5 289.9
288(9) 288(9) 0.01144 276.4 290.6
293(9) 293(9) 0.01213 276.3 292.0
304(10) 304(10) 0.00925 276.3 294.5
289(12) 289(12) 0.00689 276.2 298.7
290(12) 290(12) 0.00691 276.1 305.0
282(9) 282(9) 0.01151 276.1 313.6
299(11) 299(11) 0.00869 276.0 324.8
322(11) 322(11) 0.00815 275.9 338.4
335(11) 335(11) 0.00836 275.8 353.7
340(13) 340(13) 0.00580 275.8 369.5
378(11) 378(11) 0.00834 275.7 384.4
395(11) 395(11) 0.00905 275.6 396.0
402(12) 402(12) 0.00693 275.5 402.5
436(15) 436(15) 0.00449 275.5 402.5
400(14) 400(14) 0.00506 275.4 396.1
378(11) 378(11) 0.00861 275.3 384.9
363(12) 363(12) 0.00744 275.3 371.1
353(12) 353(12) 0.00675 275.2 356.7
345(11) 345(11) 0.00761 275.1 343.3
336(11) 336(11) 0.00864 275.0 332.1
319(10) 319(10) 0.01043 275.0 323.7
323(10) 323(10) 0.01103 274.9 318.0
335(11) 335(11) 0.00840 274.8 314.9
328(13) 328(13) 0.00605 274.7 313.9
315(10) 315(10) 0.01052 274.7 314.7
305(10) 305(10) 0.00910 274.6 317.1
307(11) 307(11) 0.00885 274.5 321.4
325(10) 325(10) 0.00932 274.5 328.3
337(10) 337(10) 0.00988 274.4 338.7
350(10) 350(10) 0.01056 274.3 353.8
363(11) 363(11) 0.00834 274.2 374.4
386(11) 386(11) 0.00859 274.2 401.0
419(11) 419(11) 0.00869 274.1 433.0
458(12) 458(12) 0.00659 274.0 469.1
493(12) 493(12) 0.00667 273.9 506.6
521(12) 521(12) 0.00704 273.9 542.2
543(13) 543(13) 0.00554 273.8 571.8
545(13) 545(13) 0.00613 273.7 591.6
533(14) 533(14) 0.00521 273.6 599.6
537(14) 537(14) 0.00505 273.6 597.0
572(14) 572(14) 0.00513 273.5 587.1
543(16) 543(16) 0.00377 273.4 573.7
551(16) 551(16) 0.00374 273.3 559.4
523(16) 523(16) 0.00398 273.3 545.1
544(13) 544(13) 0.00599 273.2 530.1
546(14) 546(14) 0.00505 273.1 513.0
529(14) 529(14) 0.00512 273.0 492.6
504(13) 504(13) 0.00582 273.0 469.2
490(15) 490(15) 0.00418 272.9 444.4
419(11) 419(11) 0.00779 272.8 420.4
399(13) 399(13) 0.00636 272.7 399.0
384(12) 384(12) 0.00744 272.7 381.5
360(11) 360(11) 0.00818 272.6 368.6
340(14) 340(14) 0.00540 272.5 360.4
370(14) 370(14) 0.00498 272.4 356.3
348(11) 348(11) 0.00861 272.4 355.3
350(12) 350(12) 0.00711 272.3 356.0
353(11) 353(11) 0.00849 272.2 356.7
354(10) 354(10) 0.01022 272.1 356.0
336(11) 336(11) 0.00757 272.1 353.0
331(12) 331(12) 0.00727 272.0 347.7
334(11) 334(11) 0.00864 271.9 340.7
321(13) 321(13) 0.00637 271.8 332.9
301(13) 301(13) 0.00573 271.8 325.4
315(10) 315(10) 0.00990 271.7 319.2
327(11) 327(11) 0.00898 271.6 315.2
328(10) 328(10) 0.01081 271.5 313.8
324(11) 324(11) 0.00878 271.4 315.7
306(13) 306(13) 0.00602 271.4 321.0
324(10) 324(10) 0.00950 271.3 329.6
327(9) 327(9) 0.01134 271.2 341.2
329(10) 329(10) 0.00952 271.1 355.0
336(11) 336(11) 0.00875 271.1 369.8
368(9) 368(9) 0.01129 271.0 384.1
400(11) 400(11) 0.00887 270.9 396.0
393(13) 393(13) 0.00580 270.8 403.6
387(11) 387(11) 0.00772 270.8 405.6
380(11) 380(11) 0.00846 270.7 401.9
367(12) 367(12) 0.00747 270.6 393.1
367(10) 367(10) 0.00950 270.5 380.3
361(11) 361(11) 0.00893 270.4 365.4
341(11) 341(11) 0.00807 270.4 349.8
331(10) 331(10) 0.01065 270.3 335.1
323(10) 323(10) 0.00996 270.2 322.1
319(11) 319(11) 0.00859 270.1 311.3
305(9) 305(9) 0.01164 270.1 303.0
297(10) 297(10) 0.01083 270.0 296.9
305(11) 305(11) 0.00898 269.9 293.0
286(11) 286(11) 0.00816 269.8 291.0
288(10) 288(10) 0.01041 269.8 290.5
299(10) 299(10) 0.00939 269.7 291.6
304(12) 304(12) 0.00650 269.6 294.0
295(12) 295(12) 0.00670 269.5 297.7
310(12) 310(12) 0.00650 269.4 302.9
317(11) 317(11) 0.00872 269.4 309.4
325(12) 325(12) 0.00698 269.3 317.1
324(10) 324(10) 0.00926 269.2 326.1
332(11) 332(11) 0.00831 269.1 336.1
363(13) 363(13) 0.00574 269.1 346.8
351(11) 351(11) 0.00829 269.0 358.0
357(13) 357(13) 0.00578 268.9 369.2
357(10) 357(10) 0.00994 268.8 380.3
389(10) 389(10) 0.00965 268.7 391.2
429(12) 429(12) 0.00752 268.7 401.8
436(11) 436(11) 0.00820 268.6 411.8
439(11) 439(11) 0.00877 268.5 420.4
441(12) 441(12) 0.00731 268.4 426.8
450(11) 450(11) 0.00794 268.4 431.1
446(11) 446(11) 0.00867 268.3 433.9
438(12) 438(12) 0.00737 268.2 436.3
439(11) 439(11) 0.00820 268.1 439.3
446(11) 446(11) 0.00862 268.0 443.2
455(12) 455(12) 0.00665 268.0 447.2
460(15) 460(15) 0.00443 267.9 450.1
450(11) 450(11) 0.00792 267.8 450.2
454(13) 454(13) 0.00623 267.7 446.4
455(13) 455(13) 0.00565 267.7 438.6
442(13) 442(13) 0.00583 267.6 426.9
426(12) 426(12) 0.00690 267.5 412.1
402(12) 402(12) 0.00756 267.4 395.0
385(14) 385(14) 0.00534 267.3 376.7
378(10) 378(10) 0.00941 267.3 358.5
352(11) 352(11) 0.00843 267.2 341.5
337(11) 337(11) 0.00760 267.1 326.6
341(11) 341(11) 0.00823 267.0 314.0
331(10) 331(10) 0.01020 266.9 304.0
299(8) 299(8) 0.01414 266.9 296.5
280(9) 280(9) 0.01176 266.8 291.1
280(11) 280(11) 0.00883 266.7 287.5
284(11) 284(11) 0.00890 266.6 285.4
280(9) 280(9) 0.01221 266.6 284.2
302(11) 302(11) 0.00867 266.5 283.7
297(9) 297(9) 0.01262 266.4 283.6
282(9) 282(9) 0.01179 266.3 283.4
275(10) 275(10) 0.00925 266.2 283.0
282(9) 282(9) 0.01205 266.2 282.3
289(8) 289(8) 0.01404 266.1 281.1
291(9) 291(9) 0.01134 266.0 279.8
287(11) 287(11) 0.00864 265.9 278.2
281(11) 281(11) 0.00904 265.8 276.7
269(9) 269(9) 0.01274 265.8 275.3
269(10) 269(10) 0.00990 265.7 274.0
273(10) 273(10) 0.00974 265.6 272.9
272(9) 272(9) 0.01371 265.5 272.0
274(8) 274(8) 0.01459 265.4 271.3
279(9) 279(9) 0.01205 265.4 270.8
283(8) 283(8) 0.01441 265.3 270.3
275(9) 275(9) 0.01226 265.2 270.0
261(10) 261(10) 0.00944 265.1 269.8
277(9) 277(9) 0.01283 265.1 269.6
284(10) 284(10) 0.01067 265.0 269.5
284(10) 284(10) 0.00971 264.9 269.3
278(10) 278(10) 0.01090 264.8 269.3
269(8) 269(8) 0.01417 264.7 269.2
267(8) 267(8) 0.01484 264.7 269.2
269(9) 269(9) 0.01125 264.6 269.1
278(9) 278(9) 0.01349 264.5 269.1
281(8) 281(8) 0.01411 264.4 269.2
281(10) 281(10) 0.01078 264.3 269.2
264(8) 264(8) 0.01459 264.3 269.4
255(8) 255(8) 0.01563 264.2 269.6
253(9) 253(9) 0.01202 264.1 269.9
268(8) 268(8) 0.01391 264.0 270.4
273(9) 273(9) 0.01115 264.0 271.3
275(10) 275(10) 0.01008 263.9 272.5
279(10) 279(10) 0.01083 263.8 274.4
271(11) 271(11) 0.00859 263.7 277.0
280(11) 280(11) 0.00826 263.6 280.6
290(11) 290(11) 0.00804 263.6 285.4
281(9) 281(9) 0.01306 263.5 291.5
288(10) 288(10) 0.01037 263.4 298.7
305(10) 305(10) 0.00910 263.3 306.9
321(10) 321(10) 0.00937 263.2 315.7
337(12) 337(12) 0.00680 263.2 324.4
341(10) 341(10) 0.01020 263.1 332.0
346(11) 346(11) 0.00789 263.0 337.8
348(11) 348(11) 0.00823 262.9 340.8
347(11) 347(11) 0.00898 262.9 340.7
352(10) 352(10) 0.00943 262.8 337.7
336(9) 336(9) 0.01141 262.7 332.2
316(10) 316(10) 0.00982 262.6 325.2
311(10) 311(10) 0.01074 262.5 317.4
306(9) 306(9) 0.01243 262.5 309.4
300(10) 300(10) 0.01037 262.4 301.9
294(9) 294(9) 0.01134 262.3 295.3
290(9) 290(9) 0.01306 262.2 289.9
286(10) 286(10) 0.01092 262.1 285.9
276(9) 276(9) 0.01213 262.1 283.4
275(10) 275(10) 0.00984 262.0 282.4
277(10) 277(10) 0.01037 261.9 282.9
280(10) 280(10) 0.01056 261.8 284.9
283(12) 283(12) 0.00697 261.8 288.1
290(12) 290(12) 0.00681 261.7 292.3
293(12) 293(12) 0.00674 261.6 297.4
301(10) 301(10) 0.01099 261.5 302.7
303(11) 303(11) 0.00892 261.4 307.9
311(10) 311(10) 0.00925 261.4 312.1
325(10) 325(10) 0.00909 261.3 314.9
335(13) 335(13) 0.00586 261.2 315.7
307(10) 307(10) 0.01106 261.1 314.5
296(10) 296(10) 0.00928 261.0 311.7
291(9) 291(9) 0.01120 261.0 307.9
286(9) 286(9) 0.01237 260.9 303.7
280(9) 280(9) 0.01151 260.8 299.7
286(8) 286(8) 0.01397 260.7 296.2
294(9) 294(9) 0.01197 260.7 293.5
299(10) 299(10) 0.01072 260.6 291.9
290(8) 290(8) 0.01411 260.5 291.4
282(9) 282(9) 0.01254 260.4 291.9
285(9) 285(9) 0.01115 260.3 293.6
284(8) 284(8) 0.01421 260.3 296.7
287(9) 287(9) 0.01235 260.2 301.5
302(10) 302(10) 0.01061 260.1 308.2
319(11) 319(11) 0.00837 260.0 317.0
332(10) 332(10) 0.00984 260.0 328.1
341(10) 341(10) 0.00956 259.9 341.1
344(13) 344(13) 0.00612 259.8 355.5
356(13) 356(13) 0.00589 259.7 370.6
371(13) 371(13) 0.00568 259.6 385.3
378(11) 378(11) 0.00854 259.6 398.3
359(11) 359(11) 0.00771 259.5 408.4
362(11) 362(11) 0.00898 259.4 414.3
381(11) 381(11) 0.00854 259.3 415.7
379(13) 379(13) 0.00559 259.3 413.4
403(12) 403(12) 0.00732 259.2 408.6
400(13) 400(13) 0.00606 259.1 402.6
400(11) 400(11) 0.00775 259.0 396.1
405(11) 405(11) 0.00828 259.0 389.4
416(12) 416(12) 0.00731 258.9 382.2
399(10) 399(10) 0.00917 258.8 374.3
391(11) 391(11) 0.00857 258.7 365.2
401(12) 401(12) 0.00756 258.6 355.4
382(10) 382(10) 0.00959 258.6 345.5
360(10) 360(10) 0.00934 258.5 336.3
334(10) 334(10) 0.00916 258.4 328.5
338(10) 338(10) 0.01065 258.3 322.5
340(10) 340(10) 0.00986 258.3 318.5
339(11) 339(11) 0.00893 258.2 316.4
320(11) 320(11) 0.00764 258.1 315.8
314(10) 314(10) 0.00982 258.0 316.0
315(10) 315(10) 0.00928 258.0 316.3
315(12) 315(12) 0.00681 257.9 316.0
325(12) 325(12) 0.00657 257.8 314.5
315(12) 315(12) 0.00694 257.7 311.7
305(10) 305(10) 0.01010 257.7 307.8
305(11) 305(11) 0.00790 257.6 303.5
312(10) 312(10) 0.00988 257.5 299.2
313(10) 313(10) 0.00939 257.4 295.7
300(12) 300(12) 0.00713 257.3 293.5
303(12) 303(12) 0.00712 257.3 292.8
298(10) 298(10) 0.00937 257.2 293.9
305(10) 305(10) 0.01096 257.1 296.7
302(10) 302(10) 0.00914 257.0 301.2
279(12) 279(12) 0.00675 257.0 307.0
309(13) 309(13) 0.00620 256.9 313.3
318(11) 318(11) 0.00878 256.8 319.6
322(12) 322(12) 0.00696 256.7 325.0
320(11) 320(11) 0.00892 256.7 328.6
317(11) 317(11) 0.00854 256.6 329.8
322(13) 322(13) 0.00598 256.5 328.7
333(11) 333(11) 0.00832 256.4 325.8
317(10) 317(10) 0.01081 256.4 322.0
303(11) 303(11) 0.00897 256.3 318.4
297(13) 297(13) 0.00639 256.2 315.6
284(12) 284(12) 0.00684 256.1 314.4
308(11) 308(11) 0.00897 256.1 315.0
312(12) 312(12) 0.00721 256.0 317.7
330(12) 330(12) 0.00665 255.9 322.2
341(11) 341(11) 0.00834 255.8 328.2
339(11) 339(11) 0.00907 255.8 335.1
337(11) 337(11) 0.00822 255.7 342.3
343(10) 343(10) 0.00980 255.6 349.2
352(11) 352(11) 0.00764 255.5 355.7
365(14) 365(14) 0.00538 255.5 361.8
363(11) 363(11) 0.00769 255.4 367.7
362(13) 362(13) 0.00567 255.3 373.2
372(11) 372(11) 0.00882 255.3 377.9
371(10) 371(10) 0.00976 255.2 380.9
362(11) 362(11) 0.00789 255.1 381.2
357(10) 357(10) 0.00952 255.0 378.1
346(10) 346(10) 0.01050 255.0 371.2
334(11) 334(11) 0.00857 254.9 361.3
349(10) 349(10) 0.00963 254.8 349.2
341(10) 341(10) 0.01069 254.7 336.3
321(11) 321(11) 0.00890 254.7 323.4
316(10) 316(10) 0.01078 254.6 311.5
300(9) 300(9) 0.01221 254.5 301.1
282(10) 282(10) 0.00994 254.4 292.6
290(12) 290(12) 0.00705 254.4 286.0
273(9) 273(9) 0.01226 254.3 281.4
273(10) 273(10) 0.00992 254.2 278.7
284(11) 284(11) 0.00832 254.2 277.7
288(11) 288(11) 0.00825 254.1 278.3
285(10) 285(10) 0.00909 254.0 280.3
285(10) 285(10) 0.00984 253.9 283.7
292(12) 292(12) 0.00699 253.9 288.2
311(10) 311(10) 0.01050 253.8 293.8
315(11) 315(11) 0.00880 253.7 300.2
308(11) 308(11) 0.00775 253.7 307.1
303(11) 303(11) 0.00843 253.6 313.9
307(10) 307(10) 0.01045 253.5 320.2
323(9) 323(9) 0.01149 253.4 325.6
322(10) 322(10) 0.00965 253.4 329.6
312(11) 312(11) 0.00774 253.3 331.8
320(11) 320(11) 0.00782 253.2 331.9
311(10) 311(10) 0.01041 253.2 329.7
322(12) 322(12) 0.00756 253.1 325.4
312(9) 312(9) 0.01134 253.0 319.8
294(10) 294(10) 0.01058 252.9 313.5
285(11) 285(11) 0.00887 252.9 307.3
303(10) 303(10) 0.01065 252.8 302.2
289(9) 289(9) 0.01321 252.7 298.7
294(10) 294(10) 0.01016 252.7 297.5
310(11) 310(11) 0.00782 252.6 299.1
313(11) 313(11) 0.00804 252.5 304.1
335(10) 335(10) 0.00963 252.4 312.8
336(12) 336(12) 0.00728 252.4 325.6
357(12) 357(12) 0.00684 252.3 342.4
395(11) 395(11) 0.00873 252.2 363.0
429(11) 429(11) 0.00883 252.2 386.7
458(12) 458(12) 0.00694 252.1 412.3
471(11) 471(11) 0.00793 252.0 438.0
475(12) 475(12) 0.00642 252.0 461.8
478(14) 478(14) 0.00513 251.9 481.0
498(12) 498(12) 0.00713 251.8 493.3
473(12) 473(12) 0.00645 251.8 497.1
462(12) 462(12) 0.00704 251.7 491.4
471(11) 471(11) 0.00757 251.6 477.1
437(11) 437(11) 0.00854 251.5 456.1
408(10) 408(10) 0.01035 251.5 431.2
383(10) 383(10) 0.00930 251.4 405.1
363(10) 363(10) 0.01024 251.3 380.0
361(9) 361(9) 0.01151 251.3 357.4
359(10) 359(10) 0.00994 251.2 338.5
336(10) 336(10) 0.01106 251.1 323.8
324(9) 324(9) 0.01294 251.1 313.3
316(9) 316(9) 0.01132 251.0 306.6
307(9) 307(9) 0.01208 250.9 303.3
312(10) 312(10) 0.00943 250.9 302.7
325(10) 325(10) 0.01006 250.8 303.9
337(10) 337(10) 0.00978 250.7 306.2
342(13) 342(13) 0.00619 250.7 308.7
323(12) 323(12) 0.00659 250.6 310.8
330(12) 330(12) 0.00645 250.5 312.0
332(10) 332(10) 0.01108 250.5 312.3
332(11) 332(11) 0.00897 250.4 311.9
333(10) 333(10) 0.00982 250.3 311.2
332(10) 332(10) 0.01000 250.3 310.7
319(12) 319(12) 0.00665 250.2 311.0
317(10) 317(10) 0.01041 250.1 312.2
306(11) 306(11) 0.00822 250.1 314.6
324(10) 324(10) 0.01085 250.0 317.8
340(9) 340(9) 0.01134 249.9 321.4
338(10) 338(10) 0.00932 249.9 324.8
333(9) 333(9) 0.01181 249.8 327.2
331(9) 331(9) 0.01161 249.7 327.9
334(10) 334(10) 0.00943 249.7 326.6
332(9) 332(9) 0.01181 249.6 323.5
326(9) 326(9) 0.01187 249.5 319.3
315(10) 315(10) 0.01000 249.5 314.7
305(9) 305(9) 0.01300 249.4 310.6
297(9) 297(9) 0.01300 249.3 307.6
295(10) 295(10) 0.01056 249.3 305.9
293(11) 293(11) 0.00831 249.2 305.9
298(9) 298(9) 0.01189 249.1 307.3
300(10) 300(10) 0.01072 249.1 309.7
296(11) 296(11) 0.00837 249.0 312.7
300(11) 300(11) 0.00826 248.9 315.3
298(11) 298(11) 0.00883 248.9 316.9
304(10) 304(10) 0.01024 248.8 316.8
296(11) 296(11) 0.00828 248.8 314.6
297(9) 297(9) 0.01194 248.7 310.5
300(10) 300(10) 0.01065 248.6 304.8
300(11) 300(11) 0.00888 248.6 298.2
303(10) 303(10) 0.01027 248.5 291.2
284(11) 284(11) 0.00786 248.4 284.4
283(9) 283(9) 0.01232 248.4 278.1
283(9) 283(9) 0.01358 248.3 272.5
280(9) 280(9) 0.01151 248.3 267.8
276(9) 276(9) 0.01343 248.2 264.0
276(8) 276(8) 0.01391 248.1 261.0
277(9) 277(9) 0.01164 248.1 258.7
270(9) 270(9) 0.01381 248.0 257.0
264(8) 264(8) 0.01459 247.9 255.8
259(9) 259(9) 0.01246 247.9 254.9
252(8) 252(8) 0.01476 247.8 254.2
247(8) 247(8) 0.01563 247.8 253.7
244(9) 244(9) 0.01271 247.7 253.4
243(11) 243(11) 0.00907 247.6 253.1
242(8) 242(8) 0.01448 247.6 252.9
260(9) 260(9) 0.01117 247.5 252.8
267(10) 267(10) 0.00963 247.4 252.7
249(10) 249(10) 0.01000 247.4 252.7
264(10) 264(10) 0.01063 247.3 252.7
235(9) 235(9) 0.01309 247.3 252.8
250(11) 250(11) 0.00875 247.2 253.1
253(8) 253(8) 0.01387 247.1 253.5
258(9) 258(9) 0.01156 247.1 254.2
267(10) 267(10) 0.00943 247.0 255.1
271(10) 271(10) 0.00946 247.0 256.3
268(9) 268(9) 0.01232 246.9 257.9
269(8) 269(8) 0.01431 246.8 259.9
268(9) 268(9) 0.01159 246.8 262.3
260(11) 260(11) 0.00761 246.7 265.1
279(12) 279(12) 0.00709 246.7 268.2
273(9) 273(9) 0.01237 246.6 271.3
274(10) 274(10) 0.00982 246.5 274.4
292(10) 292(10) 0.01076 246.5 277.2
308(10) 308(10) 0.01010 246.4 279.3
293(12) 293(12) 0.00677 246.4 280.6
296(9) 296(9) 0.01129 246.3 280.9
293(9) 293(9) 0.01321 246.2 280.2
290(10) 290(10) 0.01058 246.2 278.6
294(12) 294(12) 0.00673 246.1 276.3
273(12) 273(12) 0.00727 246.1 273.6
271(9) 271(9) 0.01240 246.0 270.7
280(10) 280(10) 0.00954 246.0 267.9
281(10) 281(10) 0.00919 245.9 265.5
267(9) 267(9) 0.01189 245.8 263.5
262(9) 262(9) 0.01309 245.8 262.2
284(9) 284(9) 0.01159 245.7 261.7
286(9) 286(9) 0.01358 245.7 262.1
284(10) 284(10) 0.01083 245.6 263.5
291(12) 291(12) 0.00676 245.6 266.1
288(11) 288(11) 0.00820 245.5 270.0
280(9) 280(9) 0.01194 245.4 275.3
275(9) 275(9) 0.01271 245.4 282.2
281(9) 281(9) 0.01146 245.3 290.5
300(11) 300(11) 0.00843 245.3 300.2
311(11) 311(11) 0.00804 245.2 310.9
314(10) 314(10) 0.01035 245.2 322.2
323(10) 323(10) 0.00925 245.1 333.4
341(13) 341(13) 0.00615 245.0 343.5
351(10) 351(10) 0.00926 245.0 351.6
342(11) 342(11) 0.00763 244.9 356.7
336(10) 336(10) 0.00971 244.9 358.0
336(10) 336(10) 0.01045 244.8 355.4
337(10) 337(10) 0.00959 244.8 349.3
343(12) 343(12) 0.00747 244.7 340.8
328(11) 328(11) 0.00779 244.7 331.0
309(10) 309(10) 0.01058 244.6 321.0
304(10) 304(10) 0.00998 244.6 311.8
303(12) 303(12) 0.00690 244.5 304.0
288(12) 288(12) 0.00733 244.4 297.9
302(10) 302(10) 0.01074 244.4 293.8
302(9) 302(9) 0.01254 244.3 291.5
301(9) 301(9) 0.01169 244.3 290.8
301(10) 301(10) 0.01078 244.2 291.3
300(11) 300(11) 0.00862 244.2 292.5
284(9) 284(9) 0.01221 244.1 293.7
268(10) 268(10) 0.01090 244.1 294.5
266(9) 266(9) 0.01125 244.0 294.3
273(9) 273(9) 0.01226 244.0 293.1
269(9) 269(9) 0.01318 243.9 291.0
266(8) 266(8) 0.01462 243.9 288.0
264(9) 264(9) 0.01274 243.8 284.7
257(9) 257(9) 0.01384 243.8 281.2
253(8) 253(8) 0.01543 243.7 277.8
255(9) 255(9) 0.01315 243.6 274.9
272(9) 272(9) 0.01274 243.6 272.6
278(8) 278(8) 0.01401 243.5 270.9
277(9) 277(9) 0.01213 243.5 269.9
277(9) 277(9) 0.01277 243.4 269.6
270(10) 270(10) 0.01081 243.4 269.8
259(9) 259(9) 0.01161 243.3 270.5
252(9) 252(9) 0.01240 243.3 271.6
258(11) 258(11) 0.00799 243.2 272.9
287(12) 287(12) 0.00719 243.2 274.5
270(11) 270(11) 0.00780 243.1 276.2
261(9) 261(9) 0.01336 243.1 278.0
274(10) 274(10) 0.01022 243.0 279.8
288(10) 288(10) 0.01043 243.0 281.2
288(10) 288(10) 0.01083 242.9 282.3
295(12) 295(12) 0.00698 242.9 283.0
293(9) 293(9) 0.01184 242.8 283.3
288(10) 288(10) 0.00954 242.8 283.6
286(9) 286(9) 0.01229 242.7 284.1
286(9) 286(9) 0.01146 242.7 285.1
283(11) 283(11) 0.00829 242.6 286.9
281(11) 281(11) 0.00856 242.6 289.5
301(10) 301(10) 0.01094 242.5 292.9
301(11) 301(11) 0.00885 242.5 297.0
297(9) 297(9) 0.01189 242.4 301.6
296(10) 296(10) 0.01094 242.4 306.3
303(11) 303(11) 0.00790 242.3 310.8
305(10) 305(10) 0.01083 242.3 314.5
316(9) 316(9) 0.01265 242.2 316.9
321(10) 321(10) 0.01022 242.2 318.0
314(12) 314(12) 0.00747 242.1 317.8
309(11) 309(11) 0.00776 242.1 316.7
313(10) 313(10) 0.01056 242.0 315.1
300(11) 300(11) 0.00902 242.0 313.4
299(11) 299(11) 0.00888 242.0 311.9
314(9) 314(9) 0.01117 241.9 310.6
329(9) 329(9) 0.01151 241.9 309.3
337(10) 337(10) 0.00971 241.8 307.9
336(9) 336(9) 0.01205 241.8 305.9
326(10) 326(10) 0.01020 241.7 303.0
304(11) 304(11) 0.00789 241.7 299.1
297(9) 297(9) 0.01151 241.6 294.3
305(11) 305(11) 0.00905 241.6 288.9
300(9) 300(9) 0.01224 241.5 283.2
288(9) 288(9) 0.01371 241.5 277.5
280(9) 280(9) 0.01216 241.4 272.1
264(8) 264(8) 0.01631 241.4 267.2
255(8) 255(8) 0.01543 241.3 262.9
257(9) 257(9) 0.01321 241.3 259.3
249(8) 314(9) 0.01117 241.9 310.6
244(8) 329(9) 0.01151 241.9 309.3
245(9) 337(10) 0.00971 241.8 307.9
256(8) 336(9) 0.01205 241.8 305.9
257(8) 326(10) 0.01020 241.7 303.0
241(8) 304(11) 0.00789 241.7 299.1
257(10) 297(9) 0.01151 241.6 294.3
259(8) 305(11) 0.00905 241.6 288.9
245(8) 300(9) 0.01224 241.5 283.2
224(10) 288(9) 0.01371 241.5 277.5
248(10) 280(9) 0.01216 241.4 272.1
241(10) 264(8) 0.01631 241.4 267.2
260(9) 255(8) 0.01543 241.3 262.9
256(10) 257(9) 0.01321 241.3 259.3
256(8) 256(8) 0.01431 240.6 249.3
253(9) 253(9) 0.01374 240.6 249.2
239(10) 239(10) 0.01050 240.5 249.1
238(9) 238(9) 0.01384 240.5 249.0
229(10) 229(10) 0.01052 240.4 249.1
242(8) 242(8) 0.01582 240.4 249.3
243(8) 243(8) 0.01768 240.4 249.8
237(8) 237(8) 0.01520 240.3 250.5
248(8) 248(8) 0.01598 240.3 251.6
260(8) 260(8) 0.01623 240.2 253.2
272(9) 272(9) 0.01324 240.2 255.3
278(8) 278(8) 0.01434 240.1 258.1
276(8) 276(8) 0.01551 240.1 261.6
270(9) 270(9) 0.01333 240.1 265.9
273(8) 273(8) 0.01459 240.0 271.0
281(8) 281(8) 0.01506 240.0 276.7
294(9) 294(9) 0.01151 239.9 283.1
315(12) 315(12) 0.00743 239.9 289.9
323(9) 323(9) 0.01192 239.9 296.8
333(10) 333(10) 0.00967 239.8 303.5
339(11) 339(11) 0.00832 239.8 309.6
333(11) 333(11) 0.00843 239.7 314.8
329(10) 329(10) 0.00963 239.7 318.9
319(10) 319(10) 0.01067 239.6 321.7
324(12) 324(12) 0.00728 239.6 323.3
305(9) 305(9) 0.01280 239.6 323.7
307(10) 307(10) 0.01043 239.5 323.3
319(10) 319(10) 0.00957 239.5 322.2
318(10) 318(10) 0.00917 239.4 320.8
324(13) 324(13) 0.00577 239.4 319.4
321(10) 321(10) 0.01039 239.4 318.1
330(11) 330(11) 0.00799 239.3 316.9
326(12) 326(12) 0.00726 239.3 315.7
305(11) 305(11) 0.00861 239.2 314.3
306(11) 306(11) 0.00887 239.2 312.6
287(12) 287(12) 0.00661 239.2 310.5
299(10) 299(10) 0.01101 239.1 308.2
300(10) 300(10) 0.00909 239.1 305.9
286(10) 286(10) 0.00928 239.0 303.6
273(10) 273(10) 0.01063 239.0 301.4
291(9) 291(9) 0.01159 239.0 299.3
307(11) 307(11) 0.00862 238.9 297.2
299(11) 299(11) 0.00790 238.9 294.8
286(10) 286(10) 0.00910 238.8 292.2
302(11) 302(11) 0.00892 238.8 289.2
282(12) 282(12) 0.00680 238.8 285.9
309(13) 309(13) 0.00609 238.7 282.3
287(9) 287(9) 0.01176 238.7 278.7
279(9) 279(9) 0.01246 238.6 275.0
280(10) 280(10) 0.01035 238.6 271.4
272(9) 272(9) 0.01265 238.6 268.0
276(10) 276(10) 0.00957 238.5 264.9
275(11) 275(11) 0.00786 238.5 262.3
268(11) 268(11) 0.00887 238.4 260.1
282(10) 282(10) 0.01103 238.4 258.6
265(9) 265(9) 0.01221 238.4 257.8
262(10) 262(10) 0.01002 238.3 257.7
270(11) 270(11) 0.00848 238.3 258.6
275(10) 275(10) 0.00963 238.3 260.5
275(10) 275(10) 0.01083 238.2 263.4
269(12) 269(12) 0.00738 238.2 267.6
272(9) 272(9) 0.01115 238.1 273.1
274(10) 274(10) 0.00971 238.1 279.8
284(10) 284(10) 0.00930 238.1 287.8
304(10) 304(10) 0.01002 238.0 296.8
310(10) 310(10) 0.01012 238.0 306.6
312(11) 312(11) 0.00851 238.0 316.7
316(12) 316(12) 0.00728 237.9 326.5
323(11) 323(11) 0.00826 237.9 335.3
319(10) 319(10) 0.00919 237.8 342.4
323(13) 323(13) 0.00606 237.8 347.0
317(12) 317(12) 0.00646 237.8 348.5
311(10) 311(10) 0.00990 237.7 346.7
308(9) 308(9) 0.01144 237.7 342.1
306(10) 306(10) 0.01016 237.7 335.2
304(10) 304(10) 0.01052 237.6 327.1
296(10) 296(10) 0.00912 237.6 318.4
293(11) 293(11) 0.00857 237.6 310.1
300(10) 300(10) 0.01018 237.5 302.7
293(9) 293(9) 0.01134 237.5 296.5
291(8) 291(8) 0.01404 237.4 292.0
295(9) 295(9) 0.01110 237.4 289.2
297(11) 297(11) 0.00895 237.4 288.0
282(10) 282(10) 0.01012 237.3 288.3
273(9) 273(9) 0.01189 237.3 289.8
266(10) 266(10) 0.00934 237.3 292.0
272(8) 272(8) 0.01387 237.2 294.5
281(9) 281(9) 0.01174 237.2 296.7
287(10) 287(10) 0.01000 237.2 298.1
289(9) 289(9) 0.01151 237.1 298.4
279(8) 279(8) 0.01480 237.1 297.2
270(9) 270(9) 0.01237 237.1 294.6
264(10) 264(10) 0.01008 237.0 290.9
262(10) 262(10) 0.01096 237.0 286.4
261(9) 261(9) 0.01246 237.0 281.4
262(10) 262(10) 0.00944 236.9 276.4
259(10) 259(10) 0.00986 236.9 271.6
272(9) 272(9) 0.01384 236.8 267.2
270(8) 270(8) 0.01536 236.8 263.4
250(9) 250(9) 0.01336 236.8 260.3
257(8) 257(8) 0.01574 236.7 258.1
263(9) 263(9) 0.01254 236.7 256.7
263(10) 263(10) 0.00994 236.7 256.2
256(10) 256(10) 0.01018 236.6 256.6
260(9) 260(9) 0.01208 236.6 257.9
259(8) 259(8) 0.01566 236.6 260.0
256(9) 256(9) 0.01288 236.5 262.9
253(10) 253(10) 0.00967 236.5 266.5
260(10) 260(10) 0.00986 236.5 270.8
282(10) 282(10) 0.01108 236.4 275.5
287(11) 287(11) 0.00895 236.4 280.4
280(9) 280(9) 0.01285 236.4 285.3
280(9) 280(9) 0.01159 236.3 289.8
292(11) 292(11) 0.00877 236.3 293.5
282(9) 282(9) 0.01115 236.3 296.1
295(9) 295(9) 0.01352 236.2 297.3
305(10) 305(10) 0.01074 236.2 296.8
306(11) 306(11) 0.00801 236.2 294.9
294(11) 294(11) 0.00873 236.1 291.6
282(9) 282(9) 0.01110 236.1 287.5
274(10) 274(10) 0.00946 236.1 282.9
279(10) 279(10) 0.00935 236.0 278.1
273(9) 273(9) 0.01321 236.0 273.5
263(8) 263(8) 0.01473 236.0 269.4
258(9) 258(9) 0.01221 235.9 265.9
264(8) 264(8) 0.01528 235.9 263.1
263(9) 263(9) 0.01268 235.9 261.3
253(10) 253(10) 0.01037 235.8 260.4
258(9) 258(9) 0.01280 235.8 260.6
266(10) 266(10) 0.00914 235.8 261.9
261(8) 261(8) 0.01498 235.7 264.3
272(8) 272(8) 0.01524 235.7 267.9
294(9) 294(9) 0.01161 235.7 272.7
286(8) 286(8) 0.01438 235.6 278.7
288(8) 288(8) 0.01455 235.6 285.8
297(9) 297(9) 0.01149 235.6 293.9
305(9) 305(9) 0.01330 235.5 302.9
316(9) 316(9) 0.01324 235.5 312.4
329(10) 329(10) 0.01039 235.5 322.2
339(9) 339(9) 0.01192 235.4 331.7
337(9) 337(9) 0.01260 235.4 340.6
329(10) 329(10) 0.01002 235.4 348.2
351(12) 351(12) 0.00683 235.3 354.1
349(9) 349(9) 0.01115 235.3 358.0
347(10) 347(10) 0.00948 235.3 359.6
350(11) 350(11) 0.00786 235.2 359.3
355(11) 355(11) 0.00776 235.2 357.3
354(11) 354(11) 0.00849 235.2 354.4
351(10) 351(10) 0.00941 235.1 350.8
363(12) 363(12) 0.00667 235.1 347.0
352(9) 352(9) 0.01113 235.1 343.0
352(10) 352(10) 0.00926 235.0 338.9
355(11) 355(11) 0.00878 235.0 334.8
345(10) 345(10) 0.00934 235.0 330.6
342(12) 342(12) 0.00643 234.9 326.4
318(10) 318(10) 0.01048 234.9 322.5
316(9) 316(9) 0.01274 234.9 318.9
322(9) 322(9) 0.01156 234.8 316.0
330(10) 330(10) 0.00980 234.8 313.8
322(9) 322(9) 0.01257 234.8 312.5
317(9) 317(9) 0.01179 234.8 311.8
319(10) 319(10) 0.01027 234.7 311.7
305(9) 305(9) 0.01343 234.7 311.8
303(9) 303(9) 0.01221 234.7 311.9
325(10) 325(10) 0.00994 234.6 311.6
308(9) 308(9) 0.01336 234.6 310.6
302(10) 302(10) 0.01048 234.6 308.8
322(12) 322(12) 0.00683 234.5 306.1
303(10) 303(10) 0.01094 234.5 302.7
297(10) 297(10) 0.00910 234.5 298.5
302(11) 302(11) 0.00857 234.4 294.1
295(11) 295(11) 0.00895 234.4 289.5
289(9) 289(9) 0.01208 234.4 285.2
290(9) 290(9) 0.01115 234.3 281.3
289(11) 289(11) 0.00765 234.3 278.2
268(9) 268(9) 0.01251 234.3 276.1
276(10) 276(10) 0.00961 234.2 275.1
278(9) 278(9) 0.01312 234.2 275.2
274(9) 274(9) 0.01210 234.2 276.6
278(11) 278(11) 0.00905 234.1 279.3
293(10) 293(10) 0.01103 234.1 283.1
285(10) 285(10) 0.00943 234.1 288.1
298(11) 298(11) 0.00872 234.0 294.0
310(9) 310(9) 0.01246 234.0 300.7
323(10) 323(10) 0.01018 234.0 307.9
335(12) 335(12) 0.00752 233.9 315.3
331(10) 331(10) 0.00992 233.9 322.5
345(12) 345(12) 0.00752 233.9 329.2
343(9) 343(9) 0.01129 233.9 335.2
342(9) 342(9) 0.01181 233.8 340.3
347(10) 347(10) 0.00928 233.8 344.2
343(11) 343(11) 0.00775 233.8 347.0
344(11) 344(11) 0.00772 233.7 348.5
342(9) 342(9) 0.01134 233.7 348.6
332(10) 332(10) 0.01020 233.7 347.1
321(11) 321(11) 0.00779 233.6 344.0
326(11) 326(11) 0.00782 233.6 339.6
319(10) 319(10) 0.01029 233.6 334.1
306(8) 306(8) 0.01397 233.5 328.1
304(9) 304(9) 0.01330 233.5 322.1
313(10) 313(10) 0.01031 233.5 316.7
307(11) 307(11) 0.00870 233.4 312.3
308(10) 308(10) 0.01004 233.4 309.3
309(9) 309(9) 0.01271 233.4 308.1
310(9) 310(9) 0.01192 233.3 308.8
318(9) 318(9) 0.01349 233.3 311.6
326(10) 326(10) 0.01054 233.3 316.2
335(11) 335(11) 0.00904 233.2 322.6
347(10) 347(10) 0.00969 233.2 330.4
360(10) 360(10) 0.00984 233.2 339.1
372(12) 372(12) 0.00677 233.1 348.2
388(10) 388(10) 0.01081 233.1 356.9
390(11) 390(11) 0.00888 233.1 364.4
387(11) 387(11) 0.00870 233.0 369.9
389(10) 389(10) 0.00952 233.0 372.8
390(10) 390(10) 0.01108 233.0 372.5
384(11) 384(11) 0.00907 232.9 369.0
381(11) 381(11) 0.00797 232.9 362.6
373(11) 373(11) 0.00902 232.9 354.0
347(10) 347(10) 0.01029 232.8 343.8
331(11) 331(11) 0.00769 232.8 332.7
317(11) 317(11) 0.00816 232.8 321.4
298(8) 298(8) 0.01438 232.7 310.4
290(8) 290(8) 0.01586 232.7 299.9
288(9) 288(9) 0.01285 232.7 290.5
286(8) 286(8) 0.01517 232.6 282.1
263(9) 263(9) 0.01378 232.6 274.9
247(9) 247(9) 0.01161 232.6 268.9
255(10) 255(10) 0.00926 232.5 264.1
251(8) 251(8) 0.01539 232.5 260.5
251(8) 251(8) 0.01695 232.5 257.8
251(9) 251(9) 0.01336 232.5 256.1
241(10) 241(10) 0.01018 232.4 255.2
256(10) 256(10) 0.00961 232.4 255.0
262(8) 262(8) 0.01480 232.3 255.5
252(9) 252(9) 0.01327 232.3 256.5
246(9) 246(9) 0.01243 232.3 258.1
259(9) 259(9) 0.01297 232.2 260.1
242(10) 242(10) 0.01012 232.2 262.5
256(8) 256(8) 0.01494 232.2 265.3
268(8) 268(8) 0.01586 232.1 268.2
272(9) 272(9) 0.01240 232.1 271.2
260(10) 260(10) 0.00943 232.1 274.2
276(11) 276(11) 0.00888 232.0 277.1
280(9) 280(9) 0.01384 232.0 279.6
276(9) 276(9) 0.01194 232.0 281.6
271(10) 271(10) 0.01033 231.9 283.2
268(9) 268(9) 0.01141 231.9 284.3
263(9) 263(9) 0.01318 231.9 285.0
281(8) 281(8) 0.01407 231.8 285.6
279(8) 279(8) 0.01547 231.8 286.2
265(9) 265(9) 0.01262 231.8 287.0
280(11) 280(11) 0.00861 231.7 288.4
304(9) 304(9) 0.01224 231.7 290.5
302(10) 302(10) 0.01092 231.7 293.5
288(11) 288(11) 0.00905 231.6 297.6
308(10) 308(10) 0.01022 231.6 303.0
328(9) 328(9) 0.01197 231.6 309.8
337(9) 337(9) 0.01174 231.5 318.0
335(10) 335(10) 0.00934 231.5 327.7
342(9) 342(9) 0.01161 231.5 338.7
358(10) 358(10) 0.01096 231.4 350.8
382(11) 382(11) 0.00820 231.4 363.6
399(10) 399(10) 0.00988 231.4 376.6
411(10) 411(10) 0.00959 231.3 389.2
419(12) 419(12) 0.00746 231.3 400.6
429(10) 429(10) 0.00923 231.2 410.3
428(12) 428(12) 0.00755 231.2 417.5
422(13) 422(13) 0.00615 231.2 421.9
429(12) 429(12) 0.00733 231.1 423.2
430(13) 430(13) 0.00583 231.1 421.5
439(13) 439(13) 0.00577 231.1 417.1
421(13) 421(13) 0.00610 231.0 410.3
403(10) 403(10) 0.00925 231.0 401.7
402(11) 402(11) 0.00789 231.0 391.9
403(13) 403(13) 0.00640 230.9 381.4
367(11) 367(11) 0.00861 230.9 370.9
364(12) 364(12) 0.00692 230.9 360.9
344(10) 344(10) 0.01054 230.8 352.0
338(11) 338(11) 0.00792 230.8 344.6
338(10) 338(10) 0.01008 230.7 339.2
342(10) 342(10) 0.01067 230.7 336.1
352(10) 352(10) 0.00912 230.7 335.4
332(9) 332(9) 0.01210 230.6 337.2
327(10) 327(10) 0.01108 230.6 341.4
357(11) 357(11) 0.00893 230.6 347.8
371(10) 371(10) 0.01050 230.5 356.2
383(10) 383(10) 0.00952 230.5 366.1
394(11) 394(11) 0.00812 230.5 376.9
426(11) 426(11) 0.00902 230.4 388.1
442(11) 442(11) 0.00828 230.4 398.8
430(12) 430(12) 0.00750 230.3 408.4
444(13) 444(13) 0.00579 230.3 415.9
446(11) 446(11) 0.00761 230.3 420.9
449(12) 449(12) 0.00696 230.2 422.9
460(14) 460(14) 0.00483 230.2 422.0
411(14) 411(14) 0.00540 230.2 418.4
431(14) 431(14) 0.00521 230.1 412.8
391(11) 391(11) 0.00840 230.1 405.8
402(13) 402(13) 0.00639 230.0 398.0
390(11) 390(11) 0.00877 230.0 390.1
369(11) 369(11) 0.00862 230.0 382.6
364(13) 364(13) 0.00630 229.9 375.5
362(11) 362(11) 0.00840 229.9 369.2
342(12) 342(12) 0.00705 229.8 363.7
337(10) 337(10) 0.01065 229.8 358.7
338(10) 338(10) 0.00921 229.8 354.2
338(12) 338(12) 0.00750 229.7 349.9
328(11) 328(11) 0.00829 229.7 345.6
332(10) 332(10) 0.00937 229.6 341.1
326(12) 326(12) 0.00724 229.6 336.4
318(9) 318(9) 0.01134 229.6 331.4
309(10) 309(10) 0.01020 229.5 326.4
302(11) 302(11) 0.00904 229.5 321.4
293(10) 293(10) 0.01090 229.5 316.7
292(9) 292(9) 0.01321 229.4 312.2
290(10) 290(10) 0.01085 229.4 308.2
294(11) 294(11) 0.00854 229.3 304.4
305(11) 305(11) 0.00893 229.3 301.1
283(10) 283(10) 0.01101 229.3 298.0
286(11) 286(11) 0.00823 229.2 295.2
300(11) 300(11) 0.00797 229.2 292.6
294(9) 294(9) 0.01235 229.1 290.3
284(9) 284(9) 0.01381 229.1 288.1
278(9) 278(9) 0.01151 229.0 286.0
268(8) 268(8) 0.01459 229.0 284.0
269(9) 269(9) 0.01154 229.0 282.1
277(11) 277(11) 0.00905 228.9 280.2
275(11) 275(11) 0.00885 228.9 278.6
281(9) 281(9) 0.01156 228.8 277.1
275(8) 275(8) 0.01452 228.8 275.9
270(9) 270(9) 0.01169 228.8 274.9
278(12) 278(12) 0.00739 228.7 274.3
274(12) 274(12) 0.00751 228.7 274.0
273(9) 273(9) 0.01213 228.6 274.0
284(10) 284(10) 0.00939 228.6 274.2
289(9) 289(9) 0.01113 228.6 274.7
287(10) 287(10) 0.01103 228.5 275.4
284(12) 284(12) 0.00724 228.5 276.3
271(9) 271(9) 0.01224 228.4 277.3
276(8) 276(8) 0.01414 228.4 278.4
279(9) 279(9) 0.01144 228.3 279.6
263(11) 263(11) 0.00779 228.3 280.8
273(12) 273(12) 0.00755 228.3 281.9
250(9) 250(9) 0.01340 228.2 282.7
273(10) 273(10) 0.00956 228.2 283.1
268(10) 268(10) 0.01000 228.1 283.0
266(9) 266(9) 0.01205 228.1 282.3
282(9) 282(9) 0.01243 228.0 281.0
268(9) 268(9) 0.01232 228.0 279.1
267(8) 267(8) 0.01473 228.0 276.6
270(9) 270(9) 0.01171 227.9 273.8
274(12) 274(12) 0.00754 227.9 270.7
283(9) 283(9) 0.01181 227.8 267.5
256(9) 256(9) 0.01122 227.8 264.3
244(9) 244(9) 0.01352 227.7 261.1
248(8) 248(8) 0.01445 227.7 258.0
247(9) 247(9) 0.01352 227.6 255.1
247(8) 247(8) 0.01639 227.6 252.3
246(8) 246(8) 0.01459 227.6 249.9
240(8) 240(8) 0.01397 227.5 247.7
241(8) 241(8) 0.01674 227.5 245.8
247(8) 247(8) 0.01445 227.4 244.2
259(9) 259(9) 0.01271 227.4 242.8
261(8) 261(8) 0.01551 227.3 241.8
255(8) 255(8) 0.01411 227.3 241.0
237(8) 237(8) 0.01424 227.2 240.5
247(10) 247(10) 0.01096 227.2 240.2
261(9) 261(9) 0.01262 227.1 240.2
270(9) 270(9) 0.01208 227.1 240.4
265(11) 265(11) 0.00794 227.1 240.9
251(11) 251(11) 0.00840 227.0 241.5
236(11) 236(11) 0.00898 227.0 242.4
250(9) 250(9) 0.01333 226.9 243.4
246(9) 246(9) 0.01134 226.9 244.6
253(9) 253(9) 0.01303 226.8 245.9
264(9) 264(9) 0.01243 226.8 247.4
252(11) 252(11) 0.00845 226.7 248.8
252(9) 252(9) 0.01294 226.7 250.3
247(10) 247(10) 0.01083 226.6 251.8
255(8) 255(8) 0.01424 226.6 253.1
262(9) 262(9) 0.01294 226.5 254.2
255(10) 255(10) 0.00978 226.5 255.0
252(10) 252(10) 0.01033 226.4 255.6
259(9) 259(9) 0.01232 226.4 255.9
261(10) 261(10) 0.01004 226.3 255.9
264(9) 264(9) 0.01381 226.3 255.6
264(9) 264(9) 0.01285 226.2 255.0
254(10) 254(10) 0.01027 226.2 254.2
240(9) 240(9) 0.01336 226.2 253.2
250(8) 250(8) 0.01635 226.1 252.2
252(9) 252(9) 0.01355 226.1 251.1
238(10) 238(10) 0.01050 226.0 250.0
234(9) 234(9) 0.01120 226.0 249.1
243(9) 243(9) 0.01312 225.9 248.3
252(10) 252(10) 0.01031 225.9 247.8
253(10) 253(10) 0.01065 225.8 247.6
260(8) 260(8) 0.01404 225.8 247.7
262(8) 262(8) 0.01509 225.7 248.2
250(9) 250(9) 0.01285 225.7 249.1
247(8) 247(8) 0.01691 225.6 250.6
248(9) 248(9) 0.01349 225.6 252.5
256(10) 256(10) 0.01063 225.5 254.9
264(9) 264(9) 0.01294 225.5 258.0
276(11) 276(11) 0.00822 225.4 261.5
286(9) 286(9) 0.01358 225.4 265.7
288(8) 288(8) 0.01506 225.3 270.4
289(9) 289(9) 0.01268 225.3 275.6
293(9) 293(9) 0.01333 225.2 281.4
302(8) 302(8) 0.01424 225.2 287.5
311(9) 311(9) 0.01179 225.1 293.9
314(9) 314(9) 0.01246 225.0 300.5
316(9) 316(9) 0.01374 225.0 307.2
322(9) 322(9) 0.01137 224.9 313.8
349(10) 349(10) 0.01103 224.9 320.1
343(9) 343(9) 0.01285 224.8 325.9
328(10) 328(10) 0.01043 224.8 330.9
332(12) 332(12) 0.00680 224.7 335.0
335(9) 335(9) 0.01161 224.7 338.2
336(10) 336(10) 0.00941 224.6 340.3
318(10) 318(10) 0.00932 224.6 341.6
302(10) 302(10) 0.00957 224.5 342.2
309(10) 309(10) 0.01087 224.5 342.1
312(10) 312(10) 0.01101 224.4 341.8
313(12) 313(12) 0.00722 224.4 341.3
313(9) 313(9) 0.01248 224.3 340.9
317(10) 317(10) 0.00994 224.3 340.7
325(9) 325(9) 0.01125 224.2 341.1
332(10) 332(10) 0.00984 224.2 342.0
332(10) 332(10) 0.00971 224.1 343.6
334(10) 334(10) 0.01058 224.0 346.0
357(10) 357(10) 0.01087 224.0 349.1
363(9) 363(9) 0.01179 223.9 352.7
365(10) 365(10) 0.00965 223.9 356.7
373(10) 373(10) 0.01050 223.8 360.8
374(9) 374(9) 0.01146 223.8 364.7
373(10) 373(10) 0.00944 223.7 368.0
378(10) 378(10) 0.01039 223.7 370.3
378(9) 378(9) 0.01137 223.6 371.5
377(10) 377(10) 0.00937 223.6 371.4
380(10) 380(10) 0.01033 223.5 369.9
383(11) 383(11) 0.00826 223.4 367.1
382(11) 382(11) 0.00843 223.4 363.2
375(11) 375(11) 0.00900 223.3 358.4
345(12) 345(12) 0.00670 223.3 352.9
342(12) 342(12) 0.00677 223.2 346.9
357(12) 357(12) 0.00646 223.2 340.7
346(9) 346(9) 0.01134 223.1 334.2
344(10) 344(10) 0.00919 223.0 327.7
333(10) 333(10) 0.00969 223.0 321.3
308(10) 308(10) 0.01090 222.9 315.2
305(12) 305(12) 0.00755 222.9 309.4
318(12) 318(12) 0.00728 222.8 304.2
292(10) 292(10) 0.01085 222.8 299.6
275(9) 275(9) 0.01134 222.7 295.7
278(10) 278(10) 0.00974 222.7 292.7
285(12) 285(12) 0.00731 222.6 290.4
284(12) 284(12) 0.00754 222.5 288.9
275(10) 275(10) 0.01039 222.5 288.2
269(10) 269(10) 0.00974 222.4 288.1
270(11) 270(11) 0.00782 222.4 288.5
260(10) 260(10) 0.01043 222.3 289.4
260(11) 260(11) 0.00812 222.2 290.5
253(9) 253(9) 0.01127 222.2 291.6
254(9) 254(9) 0.01224 222.1 292.6
272(10) 272(10) 0.01000 222.1 293.3
282(12) 282(12) 0.00742 222.0 293.5
279(11) 279(11) 0.00769 222.0 293.1
273(10) 273(10) 0.01033 221.9 292.0
273(10) 273(10) 0.00944 221.8 290.3
275(12) 275(12) 0.00721 221.8 287.9
269(11) 269(11) 0.00778 221.7 285.0
260(10) 260(10) 0.01033 221.7 281.7
254(9) 254(9) 0.01268 221.6 278.2
253(9) 253(9) 0.01232 221.5 274.5
259(10) 259(10) 0.01043 221.5 270.7
257(11) 257(11) 0.00818 221.4 266.9
257(10) 257(10) 0.01058 221.4 263.4
255(10) 255(10) 0.01000 221.3 260.0
238(11) 238(11) 0.00772 221.2 256.9
258(9) 258(9) 0.01200 221.2 254.2
251(9) 251(9) 0.01343 221.1 251.9
227(9) 227(9) 0.01166 221.1 250.1
235(9) 235(9) 0.01381 221.0 248.7
242(9) 242(9) 0.01355 220.9 247.8
249(10) 249(10) 0.01069 220.9 247.4
256(9) 256(9) 0.01254 220.8 247.5
259(9) 259(9) 0.01268 220.8 248.1
255(10) 255(10) 0.01048 220.7 249.3
237(8) 237(8) 0.01407 220.6 250.9
246(9) 246(9) 0.01315 220.6 253.0
267(10) 267(10) 0.00954 220.5 255.5
261(12) 261(12) 0.00707 220.4 258.4
280(10) 280(10) 0.01108 220.4 261.8
272(10) 272(10) 0.00982 220.3 265.4
267(11) 267(11) 0.00813 220.3 269.3
290(12) 290(12) 0.00751 220.2 273.4
288(11) 288(11) 0.00836 220.1 277.6
283(11) 283(11) 0.00892 220.1 281.7
300(13) 300(13) 0.00605 220.0 285.8
298(10) 298(10) 0.01076 219.9 289.5
285(10) 285(10) 0.00926 219.9 292.9
280(10) 280(10) 0.00910 219.8 295.9
300(10) 300(10) 0.00994 219.8 298.3
323(12) 323(12) 0.00712 219.7 300.1
328(9) 328(9) 0.01139 219.6 301.3
332(10) 332(10) 0.00957 219.6 302.0
331(11) 331(11) 0.00840 219.5 302.2
328(10) 328(10) 0.00959 219.4 301.9
327(10) 327(10) 0.01043 219.4 301.1
318(12) 318(12) 0.00732 219.3 299.8
330(9) 330(9) 0.01127 219.3 298.0
333(10) 333(10) 0.00959 219.2 295.7
321(10) 321(10) 0.00978 219.1 292.9
303(9) 303(9) 0.01184 219.1 289.7
299(9) 299(9) 0.01300 219.0 286.0
295(10) 295(10) 0.01083 218.9 282.1
290(10) 290(10) 0.00957 218.9 277.9
284(9) 284(9) 0.01113 218.8 273.6
274(9) 274(9) 0.01240 218.7 269.4
275(11) 275(11) 0.00843 218.7 265.3
269(11) 269(11) 0.00885 218.6 261.3
257(8) 257(8) 0.01480 218.5 257.6
252(8) 252(8) 0.01678 218.5 254.1
250(8) 250(8) 0.01438 218.4 251.0
247(8) 247(8) 0.01590 218.3 248.2
246(9) 246(9) 0.01303 218.3 245.8
242(9) 242(9) 0.01306 218.2 243.7
234(8) 234(8) 0.01513 218.1 241.9
247(10) 247(10) 0.01056 218.1 240.4
235(8) 235(8) 0.01768 218.0 239.3
231(7) 231(7) 0.01913 218.0 238.4
240(8) 240(8) 0.01532 217.9 237.8
242(7) 242(7) 0.01807 217.8 237.3
244(7) 244(7) 0.01821 217.8 237.1
247(8) 247(8) 0.01494 217.7 237.0
252(8) 252(8) 0.01727 217.6 237.1
251(8) 251(7) 0.01778 217.6 237.2
245(8) 245(8) 0.01506 217.5 237.5
240(7) 240(7) 0.01841 217.4 237.7
240(7) 240(7) 0.01846 217.4 238.0
243(8) 243(8) 0.01466 217.3 238.2
229(9) 229(9) 0.01161 217.2 238.5
235(8) 235(8) 0.01736 217.2 238.8
242(8) 242(8) 0.01466 217.1 239.0
238(9) 238(9) 0.01226 217.0 239.4
238(9) 238(9) 0.01205 217.0 239.7
265(9) 265(9) 0.01200 216.9 240.2
258(9) 258(9) 0.01381 216.8 240.9
255(10) 255(10) 0.01033 216.7 241.8
249(8) 249(8) 0.01656 216.7 242.9
245(8) 245(8) 0.01462 216.6 244.3
248(9) 248(9) 0.01169 216.5 246.1
258(9) 258(9) 0.01146 216.5 248.3
259(8) 259(8) 0.01427 216.4 251.0
262(8) 262(8) 0.01704 216.3 254.3
266(9) 266(9) 0.01352 216.3 258.2
270(11) 270(11) 0.00880 216.2 262.7
280(11) 280(11) 0.00853 216.1 267.9
278(9) 278(9) 0.01355 216.1 273.8
276(10) 276(10) 0.01108 216.0 280.5
279(9) 279(9) 0.01336 215.9 288.0
285(9) 285(9) 0.01262 215.9 296.1
287(11) 287(11) 0.00832 215.8 305.0
312(9) 312(9) 0.01189 215.7 314.4
320(8) 320(8) 0.01394 215.7 324.4
325(10) 325(10) 0.01103 215.6 334.8
331(12) 331(12) 0.00718 215.5 345.5
349(12) 349(12) 0.00688 215.4 356.2
366(10) 366(10) 0.01016 215.4 366.8
360(11) 360(11) 0.00854 215.3 377.1
379(11) 379(11) 0.00765 215.2 386.7
402(10) 402(10) 0.00930 215.2 395.6
407(10) 407(10) 0.00992 215.1 403.3
409(11) 409(11) 0.00907 215.0 409.8
402(9) 402(9) 0.01120 215.0 414.9
399(11) 399(11) 0.00898 214.9 418.3
407(13) 407(13) 0.00588 214.8 420.1
409(10) 409(10) 0.00910 214.8 420.1
430(12) 430(12) 0.00690 214.7 418.3
421(10) 421(10) 0.00930 214.6 414.9
406(10) 406(10) 0.01029 214.5 409.8
415(11) 415(11) 0.00883 214.5 403.2
405(9) 405(9) 0.01125 214.4 395.3
396(10) 396(10) 0.01054 214.3 386.4
398(10) 398(10) 0.00926 214.3 376.5
388(9) 388(9) 0.01176 214.2 366.2
379(10) 379(10) 0.01106 214.1 355.4
375(10) 375(10) 0.00984 214.1 344.6
349(9) 349(9) 0.01327 214.0 333.9
329(9) 329(9) 0.01277 213.9 323.5
326(9) 326(9) 0.01134 213.8 313.5
308(10) 308(10) 0.00998 213.8 304.0
297(9) 297(9) 0.01315 213.7 295.2
292(9) 292(9) 0.01254 213.6 287.2
284(11) 284(11) 0.00882 213.6 279.8
263(10) 263(10) 0.00956 213.5 273.3
253(10) 253(10) 0.01004 213.4 267.5
259(8) 259(8) 0.01441 213.3 262.4
264(9) 264(9) 0.01137 213.3 258.0
260(8) 260(8) 0.01509 213.2 254.4
255(8) 255(8) 0.01427 213.1 251.3
257(10) 257(10) 0.01002 213.1 248.9
255(8) 255(8) 0.01404 213.0 247.0
242(9) 242(9) 0.01179 212.9 245.5
245(8) 245(8) 0.01736 212.8 244.6
252(8) 252(8) 0.01459 212.8 244.1
257(9) 257(9) 0.01169 212.7 243.9
259(9) 259(9) 0.01251 212.6 244.1
261(8) 261(8) 0.01414 212.6 244.6
238(9) 238(9) 0.01194 212.5 245.4
237(7) 237(7) 0.01802 212.4 246.5
248(8) 248(8) 0.01469 212.3 247.8
259(9) 259(9) 0.01251 212.3 249.3
256(8) 256(8) 0.01473 212.2 251.0
250(7) 250(7) 0.01836 212.1 252.9
246(8) 246(8) 0.01506 212.0 254.9
249(9) 249(9) 0.01202 212.0 257.0
261(9) 261(9) 0.01246 211.9 259.2
262(8) 262(8) 0.01401 211.8 261.5
266(10) 266(10) 0.01041 211.8 263.7
265(10) 265(10) 0.01076 211.7 265.9
271(8) 271(8) 0.01570 211.6 268.1
278(8) 278(8) 0.01665 211.5 270.1
283(9) 283(9) 0.01333 211.5 271.9
276(8) 276(8) 0.01665 211.4 273.5
279(9) 279(9) 0.01315 211.3 274.9
284(9) 284(9) 0.01132 211.3 276.1
275(9) 275(9) 0.01288 211.2 277.1
271(10) 271(10) 0.00973 211.1 277.9
272(8) 272(8) 0.01473 211.0 278.7
276(8) 276(8) 0.01590 211.0 279.4
280(9) 280(9) 0.01294 210.9 280.2
270(8) 270(8) 0.01594 210.8 281.1
267(8) 267(8) 0.01648 210.7 282.2
269(9) 269(9) 0.01352 210.7 283.7
276(8) 276(8) 0.01536 210.6 285.4
273(8) 273(8) 0.01627 210.5 287.6
262(9) 262(9) 0.01384 210.4 290.2
286(8) 286(8) 0.01452 210.4 293.3
290(8) 290(8) 0.01528 210.3 296.8
277(9) 277(9) 0.01277 210.2 300.8
289(11) 289(11) 0.00902 210.1 305.2
299(9) 299(9) 0.01330 210.1 309.9
306(9) 306(9) 0.01132 210.0 315.0
313(10) 313(10) 0.00910 209.9 320.2
320(11) 320(11) 0.00893 209.9 325.6
319(10) 319(10) 0.00971 209.8 330.9
323(10) 323(10) 0.01096 209.7 336.0
327(11) 327(11) 0.00803 209.6 340.8
335(9) 335(9) 0.01189 209.6 345.2
335(10) 335(10) 0.01045 209.5 349.0
340(10) 340(10) 0.00965 209.4 352.1
360(10) 360(10) 0.01048 209.3 354.5
353(12) 353(12) 0.00715 209.3 356.0
353(9) 353(9) 0.01184 209.2 356.5
350(9) 350(9) 0.01321 209.1 356.1
351(9) 351(9) 0.01197 209.0 354.8
358(9) 358(9) 0.01151 209.0 352.4
357(9) 357(9) 0.01297 208.9 349.2
355(9) 355(9) 0.01187 208.8 345.1
354(9) 354(9) 0.01169 208.7 340.3
342(9) 342(9) 0.01368 208.7 334.9
331(9) 331(9) 0.01277 208.6 329.0
326(9) 326(9) 0.01277 208.5 322.8
325(8) 325(8) 0.01427 208.4 316.4
321(9) 321(9) 0.01159 208.4 309.9
313(11) 313(11) 0.00810 208.3 303.5
300(8) 300(8) 0.01401 208.2 297.2
282(9) 282(9) 0.01176 208.1 291.1
274(9) 274(9) 0.01141 208.1 285.3
268(9) 268(9) 0.01179 208.0 279.9
268(8) 268(8) 0.01462 207.9 274.9
269(8) 269(8) 0.01397 207.8 270.3
258(10) 258(10) 0.00988 207.8 266.2
252(8) 252(8) 0.01656 207.7 262.5
246(9) 246(9) 0.01324 207.6 259.2
255(9) 255(9) 0.01200 207.5 256.4
253(8) 253(8) 0.01539 207.5 253.9
239(8) 239(8) 0.01759 207.4 251.8
238(7) 238(7) 0.01811 207.3 250.1
229(8) 229(8) 0.01520 207.2 248.6
224(8) 224(8) 0.01438 207.1 247.4
229(8) 229(8) 0.01678 207.1 246.4
235(8) 235(8) 0.01619 207.0 245.5
231(10) 231(10) 0.01052 206.9 244.8
245(8) 245(8) 0.01750 206.8 244.2
237(8) 237(8) 0.01476 206.8 243.7
234(8) 234(8) 0.01648 206.7 243.2
240(8) 240(8) 0.01750 206.6 242.8
237(7) 237(7) 0.01826 206.5 242.4
233(8) 233(8) 0.01476 206.5 242.1
225(8) 225(8) 0.01441 206.4 241.7
233(8) 233(8) 0.01648 206.3 241.4
249(8) 249(8) 0.01536 206.2 241.0
239(10) 239(10) 0.01020 206.2 240.6
251(10) 251(10) 0.00974 206.1 240.2
240(7) 240(7) 0.01826 206.0 239.8
235(7) 235(7) 0.02047 205.9 239.4
235(7) 235(7) 0.01792 205.8 238.9
239(7) 239(7) 0.01797 205.8 238.3
249(9) 249(9) 0.01349 205.7 237.8
248(8) 248(8) 0.01513 205.6 237.1
239(8) 239(8) 0.01517 205.5 236.5
243(10) 243(10) 0.00996 205.5 235.8
230(7) 230(7) 0.01811 205.4 235.1
226(7) 226(7) 0.02012 205.3 234.4
230(8) 230(8) 0.01691 205.2 233.7
239(8) 239(8) 0.01740 205.1 233.0
237(7) 237(7) 0.01934 205.1 232.3
231(8) 231(8) 0.01682 205.0 231.7
233(7) 233(7) 0.01807 204.9 231.1
229(7) 229(7) 0.02006 204.8 230.5
226(8) 226(8) 0.01718 204.7 230.0
238(8) 238(8) 0.01740 204.7 229.6
237(7) 237(7) 0.01940 204.6 229.3
229(8) 229(8) 0.01594 204.5 229.0
221(10) 221(10) 0.01096 204.4 228.9
224(7) 224(7) 0.01836 204.3 228.8
229(8) 229(8) 0.01476 204.3 228.9
232(9) 232(9) 0.01312 204.2 229.0
230(9) 230(9) 0.01321 204.1 229.3
230(8) 230(8) 0.01528 204.0 229.7
234(8) 234(8) 0.01551 203.9 230.1
239(10) 239(10) 0.01012 203.9 230.7
235(8) 235(8) 0.01759 203.8 231.3
245(9) 245(9) 0.01358 203.7 231.9
254(8) 254(8) 0.01414 203.6 232.6
253(8) 253(8) 0.01469 203.5 233.4
259(10) 259(10) 0.00919 203.5 234.1
239(8) 239(7) 0.01778 203.4 234.8
235(8) 235(8) 0.01445 203.3 235.5
240(9) 240(9) 0.01309 203.2 236.1
244(8) 244(8) 0.01563 203.1 236.6
242(8) 242(8) 0.01586 203.1 237.0
226(10) 226(10) 0.01056 203.0 237.3
239(8) 239(8) 0.01736 202.9 237.4
248(9) 248(9) 0.01365 202.8 237.4
246(8) 246(8) 0.01555 202.7 237.3
237(8) 237(8) 0.01768 202.6 237.0
237(8) 237(8) 0.01773 202.6 236.5
226(8) 226(8) 0.01551 202.5 236.0
229(9) 229(9) 0.01352 202.4 235.3
236(8) 236(8) 0.01627 202.3 234.6
223(8) 223(8) 0.01718 202.2 233.8
212(9) 212(9) 0.01125 202.1 232.9
236(10) 236(10) 0.01012 202.1 232.0
228(7) 228(7) 0.01846 202.0 231.1
225(7) 225(7) 0.02107 201.9 230.2
224(7) 224(7) 0.01877 201.8 229.3
221(7) 221(7) 0.01908 201.7 228.4
223(8) 223(8) 0.01528 201.6 227.6
232(9) 232(9) 0.01352 201.5 226.8
235(8) 235(8) 0.01574 201.5 226.1
224(7) 224(7) 0.01841 201.4 225.5
224(7) 224(7) 0.02035 201.3 224.9
224(8) 224(8) 0.01652 201.2 224.4
227(8) 227(8) 0.01407 201.1 224.1
234(8) 234(8) 0.01555 201.0 223.8
239(8) 239(8) 0.01635 200.9 223.6
235(9) 235(9) 0.01144 200.9 223.5
241(7) 241(7) 0.01807 200.8 223.5
235(8) 235(8) 0.01606 200.7 223.6
228(8) 228(8) 0.01598 200.6 223.9
235(8) 235(8) 0.01764 200.5 224.2
234(7) 234(7) 0.01934 200.4 224.6
232(8) 232(8) 0.01606 200.3 225.1
230(8) 230(8) 0.01401 200.2 225.7
230(8) 230(8) 0.01586 200.2 226.3
232(8) 232(8) 0.01682 200.1 227.0
233(9) 233(9) 0.01149 200.0 227.8
227(9) 227(9) 0.01205 199.9 228.6
222(7) 222(7) 0.01984 199.8 229.5
218(7) 218(7) 0.02241 199.7 230.3
217(7) 217(7) 0.01908 199.6 231.2
230(7) 230(7) 0.01945 199.5 232.0
235(8) 235(8) 0.01578 199.4 232.8
238(8) 238(8) 0.01520 199.3 233.6
245(8) 245(8) 0.01574 199.2 234.4
242(9) 242(9) 0.01125 199.2 235.0
239(7) 239(7) 0.01811 199.1 235.6
229(7) 229(7) 0.02094 199.0 236.1
218(7) 218(7) 0.01856 198.9 236.4
222(7) 222(7) 0.02035 198.8 236.6
229(7) 229(7) 0.02064 198.7 236.7
237(8) 237(8) 0.01713 198.6 236.7
229(7) 229(7) 0.02001 198.5 236.5
232(7) 232(7) 0.02035 198.4 236.2
242(8) 242(8) 0.01674 198.3 235.7
239(7) 239(7) 0.01902 198.2 235.1
234(7) 234(7) 0.02047 198.1 234.3
229(8) 229(8) 0.01687 198.0 233.4
230(9) 230(9) 0.01174 197.9 232.5
235(7) 235(7) 0.01826 197.8 231.4
233(8) 233(8) 0.01610 197.7 230.3
222(8) 222(8) 0.01421 197.6 229.1
220(8) 220(8) 0.01411 197.5 227.9
230(8) 230(8) 0.01528 197.4 226.7
220(8) 220(8) 0.01759 197.3 225.5
218(9) 218(9) 0.01248 197.2 224.3
216(7) 216(7) 0.02006 197.1 223.1
219(8) 219(8) 0.01682 197.0 221.9
222(8) 222(8) 0.01594 196.9 220.8
221(8) 221(8) 0.01606 196.8 219.8
222(10) 222(10) 0.01002 196.7 218.8
228(8) 228(8) 0.01598 196.6 217.9
222(7) 222(7) 0.01984 196.5 217.1
219(7) 219(7) 0.01783 196.4 216.3
227(8) 227(8) 0.01590 196.3 215.7
227(7) 227(7) 0.01934 196.2 215.1
222(8) 222(8) 0.01764 196.1 214.7
218(8) 218(8) 0.01687 196.0 214.3
222(7) 222(7) 0.01945 195.9 214.0
226(8) 226(8) 0.01727 195.8 213.8
222(8) 222(8) 0.01656 195.7 213.7
219(7) 219(7) 0.02001 195.6 213.6
221(8) 221(8) 0.01574 195.5 213.6
232(10) 232(10) 0.00954 195.4 213.8
222(8) 222(8) 0.01652 195.3 213.9
218(9) 218(9) 0.01381 195.1 214.1
231(9) 231(9) 0.01216 195.0 214.4
236(9) 236(9) 0.01226 194.9 214.7
229(8) 229(8) 0.01566 194.8 215.1
225(8) 225(8) 0.01582 194.7 215.5
214(10) 214(10) 0.01043 194.6 215.9
226(8) 226(8) 0.01606 194.5 216.3
219(8) 219(8) 0.01397 194.4 216.7
209(8) 209(8) 0.01387 194.2 217.2
212(8) 212(8) 0.01656 194.1 217.6
217(8) 217(8) 0.01740 194.0 218.0
207(8) 207(8) 0.01750 193.9 218.3
208(8) 208(8) 0.01414 193.8 218.7
211(9) 211(9) 0.01318 193.7 219.0
212(8) 212(8) 0.01627 193.5 219.3
214(8) 214(8) 0.01582 193.4 219.5
221(10) 221(10) 0.00976 193.3 219.7
216(8) 216(8) 0.01669 193.2 219.9
211(8) 211(8) 0.01404 193.1 220.0
209(8) 209(8) 0.01652 192.9 220.1
210(7) 210(7) 0.01792 192.8 220.1
209(8) 209(8) 0.01722 192.7 220.1
204(8) 204(8) 0.01452 192.6 220.1
215(9) 215(9) 0.01277 192.4 220.0
227(8) 227(8) 0.01528 192.3 219.9
226(8) 226(8) 0.01509 192.2 219.7
221(10) 221(10) 0.00974 192.1 219.5
219(10) 219(10) 0.00986 191.9 219.3
212(8) 212(8) 0.01709 191.8 219.0
215(7) 215(7) 0.01951 191.7 218.7
217(8) 215(7) . . .
211(8) 215(7) . . .
212(9) 215(7) . . .
213(9) 215(7) . . .
215(8) 215(7) . . .
225(8) 215(7) . . .
218(7) 215(7) . . .
211(8) 215(7) . . .
211(9) 215(7) . . .
224(10) 215(7) . . .
229(8) 215(7) . . .
224(9) 215(7) . . .
218(8) 215(7) . . .
222(8) 215(7) . . .
237(10) 215(7) . . .
223(8) 215(7) . . .
222(7) 215(7) . . .
225(8) 215(7) . . .
232(10) 215(7) . . .
218(9) 215(7) . . .
233(8) 215(7) . . .
232(9) 215(7) . . .
230(9) 215(7) . . .
233(8) 215(7) . . .
234(8) 215(7) . . .
227(8) 215(7) . . .
233(7) 215(7) . . .
238(8) 215(7) . . .
238(10) 215(7) . . .
238(8) 215(7) . . .
242(9) 215(7) . . .
248(9) 215(7) . . .
252(9) 215(7) . . .
243(8) 215(7) . . .
248(8) 215(7) . . .
257(9) 215(7) . . .
254(8) 215(7) . . .
259(8) 215(7) . . .
264(9) 215(7) . . .
256(8) 215(7) . . .
263(8) 215(7) . . .
273(9) 215(7) . . .
265(8) 215(7) . . .
261(9) 215(7) . . .
262(9) 215(7) . . .
271(9) 215(7) . . .
293(11) 215(7) . . .
298(11) 215(7) . . .
277(11) 215(7) . . .
285(9) 215(7) . . .
298(10) 215(7) . . .
297(10) 215(7) . . .
283(9) 215(7) . . .
303(12) 215(7) . . .
288(11) 215(7) . . .
299(15) 215(7) . . .
305(13) 215(7) . . .
304(12) 215(7) . . .
317(15) 215(7) . . .
317(15) 215(7) . . .
308(13) 215(7) . . .
303(12) 215(7) . . .
312(11) 215(7) . . .
321(13) 215(7) . . .
311(15) 215(7) . . .
301(15) 215(7) . . .
302(13) 215(7) . . .
312(12) 215(7) . . .
314(11) 215(7) . . .
316(12) 215(7) . . .
307(15) 215(7) . . .
305(15) 215(7) . . .
307(15) 215(7) . . .
304(13) 215(7) . . .
298(12) 215(7) . . .
318(11) 215(7) . . .
337(13) 215(7) . . .
316(15) 215(7) . . .
305(15) 215(7) . . .
0.0(10) 215(7) . . .
_pd_meas_number_of_points        3225
_pd_proc_number_of_points        3225

_reflns_number_total             492
_reflns_limit_h_min              0
_reflns_limit_h_max              21
_reflns_limit_k_min              -9
_reflns_limit_k_max              10
_reflns_limit_l_min              -5
_reflns_limit_l_max              5
_reflns_d_resolution_high        1.241
_reflns_d_resolution_low         7.506
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003009'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1P5CO2_CO_publ

_pd_block_id                     2014-01-17T16:02|1P5CO2_CO||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-17T16:02
_audit_update_record             
; 2014-01-17T16:02  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     70
_refine_ls_goodness_of_fit_all   0.99
_refine_ls_number_restraints     5
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            purple

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.8735(12)
_cell_length_b                   25.8735
_cell_length_c                   6.8486(4)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3970.5(4)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Co Co1 0.3786(13) 0.3490(14) 0.151(4) 1.0 Uiso 0.001(9) 18
O O1 0.3287(6) 0.2959(7) 0.3637(20) 1.0 Uiso 0.0047(24) 18
O O2 0.3026(7) 0.2291(7) 0.5987(20) 1.0 Uiso 0.0047(24) 18
O O3 0.3577(7) 0.2758(7) 0.0022(24) 1.0 Uiso 0.0047(24) 18
C C1 0.3191(6) 0.2476(6) 0.4286(17) 1.0 Uiso 0.0162(19) 18
C C2 0.3282(7) 0.2069(6) 0.2898(17) 1.0 Uiso 0.0162(19) 18
C C3 0.3465(6) 0.2239(7) 0.0908(17) 1.0 Uiso 0.0162(19) 18
C C4 0.3506(6) 0.1816(7) -0.0244(19) 1.0 Uiso 0.0162(19) 18
H H 0.3577(12) 0.1913(10) -0.168(4) 1.0 Uiso 0.012(7) 18
O O2b 0.2315(23) 0.7471(21) 0.651(6) 0.728(18) Uiso 0.134(19) 18
C C2a 0.1788(10) 0.7147(11) 0.6254(29) 0.728(18) Uiso 0.028(7) 18
O O2a 0.1295(10) 0.6839(9) 0.6049(28) 0.728(18) Uiso 0.011(7) 18
O O3b 0.2060(14) 0.0239(14) 0.657(5) 0.775(19) Uiso 0.073(12) 18
C C3a 0.1840(10) 0.0245(11) 0.511(5) 0.775(19) Uiso 0.069(10) 18
O O3a 0.1644(13) 0.0287(14) 0.369(6) 0.775(19) Uiso 0.094(13) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C5.50 H Co O6.01'
_chemical_formula_weight         222.14
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 Co1 2.898(32) . 103_554 N
Co1 Co1 2.898(32) . 202_555 N
Co1 O1 1.973(32) . 1_555 N
Co1 O1 2.068(32) . 103_554 N
Co1 O2 2.131(35) . 202_554 N
Co1 O3 1.973(32) . 1_555 N
Co1 O3 2.021(32) . 202_555 N
Co1 O2a 2.31(4) . 101_544 N
O1 Co1 1.973(32) . 1_555 N
O1 Co1 2.068(32) . 202_555 N
O1 C1 1.227(19) . 1_555 N
O2 Co1 2.131(35) . 103_555 N
O2 C1 1.251(15) . 1_555 N
O3 Co1 1.973(32) . 1_555 N
O3 Co1 2.021(32) . 103_554 N
O3 C3 1.366(19) . 1_555 N
C1 O1 1.227(19) . 1_555 N
C1 O2 1.251(15) . 1_555 N
C1 C2 1.522(18) . 1_555 N
C2 C1 1.522(18) . 1_555 N
C2 C3 1.438(15) . 1_555 N
C3 O3 1.366(19) . 1_555 N
C3 C2 1.438(15) . 1_555 N
C3 C4 1.396(18) . 1_555 N
C4 C3 1.396(18) . 1_555 N
C4 H 1.01(4) . 1_555 N
H C4 1.01(4) . 1_555 N
O2b C2a 1.20(5) . 1_555 N
C2a O2b 1.20(5) . 1_555 N
C2a O2a 1.125(29) . 1_555 N
O2a Co1 2.31(4) . 201_455 N
O2a C2a 1.125(29) . 1_555 N
O3b C3a 1.160(33) . 1_555 N
C3a O3b 1.160(33) . 1_555 N
C3a O3a 1.12(4) . 1_555 N
O3a C3a 1.12(4) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Co1 O1 86.8(12) 1_555 . 103_554 N
O1 Co1 O2 176.2(19) 1_555 . 202_554 N
O1 Co1 O3 86.8(14) 1_555 . 1_555 N
O1 Co1 O3 84.3(14) 1_555 . 202_555 N
O1 Co1 O2 96.9(15) 103_554 . 202_554 N
O1 Co1 O3 83.1(13) 103_554 . 1_555 N
O1 Co1 O3 95.4(14) 103_554 . 202_555 N
O2 Co1 O3 93.7(14) 202_554 . 1_555 N
O2 Co1 O3 95.2(16) 202_554 . 202_555 N
O3 Co1 O3 171.0(20) 1_555 . 202_555 N
Co1 O1 Co1 91.6(7) 1_555 . 202_555 N
Co1 O1 C1 134.7(17) 1_555 . 1_555 N
Co1 O1 C1 131.7(14) 202_555 . 1_555 N
Co1 O2 C1 120.2(15) 103_555 . 1_555 N
Co1 O3 Co1 93.0(16) 1_555 . 103_554 N
Co1 O3 C3 122.3(16) 1_555 . 1_555 N
Co1 O3 C3 127.4(13) 103_554 . 1_555 N
O1 C1 O2 125.7(15) 1_555 . 1_555 N
O1 C1 C2 117.0(12) 1_555 . 1_555 N
O2 C1 C2 117.2(13) 1_555 . 1_555 N
C1 C2 C3 121.5(12) 1_555 . 1_555 N
O3 C3 C2 126.7(14) 1_555 . 1_555 N
O3 C3 C4 117.3(13) 1_555 . 1_555 N
C2 C3 C4 116.0(14) 1_555 . 1_555 N
C3 C4 H 115.6(19) 1_555 . 1_555 N
O2b C2a O2a 178.7(31) 1_555 . 1_555 N
O3b C3a O3a 176(4) 1_555 . 1_555 N

# Powder diffraction data for histogram  9
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT341_1P5CO2_CO_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0192 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
_vrf_PLAT601_1P5CO2_CO_publ      
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        183 Ang3  
RESPONSE: This material is very porous and was fully evacuated prior to loading with CO2. Even at this level of loading, the channel remains partially evacuated.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Co 18.0 0.2490 International_Tables_Vol_C
O 108.119 0.5803 International_Tables_Vol_C
C 99.06 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0290
_pd_proc_ls_prof_wR_factor       0.0355
_pd_proc_ls_prof_wR_expected     0.0363
_refine_ls_R_Fsqd_factor         0.09834

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    724.040     2:   -52.4787     3:    139.403     4:    70.1875    
      5:    65.1653     6:    26.7079     7:    31.9387     8:    9.09212    
      9:    10.1339    10:   -4.15328    11:   -5.47016    12:    4.27962    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  651.675 #2(GV)   = -206.137 #3(GW)   =   97.118
 #4(GP)   =    0.000 #5(LX)   =    4.466 #6(LY)   =    0.000
 #7(S/L)  =   0.0306 #8(H/L)  =   0.0228
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_info_datetime           2014-01-17T16:02:56
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5256
_pd_proc_2theta_range_max        166.2756
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
5530(160) 0.0 917. .
4460(140) 0.0 918. .
4140(140) 0.0 919. .
3800(130) 0.0 920. .
3520(130) 0.0 921. .
2920(120) 0.0 922. .
2630(110) 0.0 922. .
2250(100) 0.0 923. .
1977(96) 0.0 924. .
1749(91) 0.0 925. .
1676(89) 0.0 925. .
1566(86) 0.0 926. .
1548(85) 0.0 926. .
1575(86) 0.0 927. .
1338(80) 0.0 928. .
1310(79) 0.0 928. .
1310(79) 0.0 929. .
1379(81) 0.0 929. .
1132(73) 0.0 930. .
1119(73) 0.0 930. .
1128(73) 0.0 931. .
1269(78) 0.0 931. .
1356(80) 0.0 931. .
1215(76) 0.0 932. .
1114(73) 0.0 932. .
1201(75) 0.0 933. .
1301(78) 0.0 933. .
1228(76) 0.0 933. .
1219(76) 0.0 933. .
1283(78) 0.0 934. .
1260(77) 0.0 934. .
1324(79) 0.0 934. .
1356(80) 0.0 934. .
1087(72) 0.0 934. .
1128(73) 0.0 935. .
1210(76) 0.0 935. .
1173(75) 0.0 935. .
1205(76) 0.0 935. .
1183(75) 0.0 935. .
1278(78) 0.0 935. .
1018(70) 0.0 935. .
1192(75) 0.0 935. .
1096(72) 0.0 935. .
1077(72) 0.0 935. .
1077(72) 0.0 935. .
1146(74) 0.0 935. .
1000(69) 0.0 935. .
1091(72) 0.0 935. .
1023(70) 0.0 935. .
1096(72) 0.0 935. .
1137(74) 0.0 935. .
940(67) 0.0 934. .
1055(71) 0.0 934. .
991(69) 0.0 934. .
1041(70) 0.0 934. .
1027(70) 0.0 934. .
986(69) 0.0 934. .
1100(72) 0.0 933. .
1091(72) 0.0 933. .
931(67) 0.0 933. .
1169(75) 0.0 933. .
1059(71) 0.0 932. .
1059(71) 0.0 932. .
995(69) 0.0 932. .
959(68) 0.0 932. .
986(69) 0.0 931. .
845(64) 0.0 931. .
1018(70) 0.0 931. .
1132(73) 0.0 930. .
876(65) 0.0 930. .
982(69) 0.0 929. .
1036(70) 0.0 929. .
959(68) 0.0 929. .
1041(70) 0.0 928. .
845(64) 0.0 928. .
1046(71) 0.0 928. .
936(67) 0.0 927. .
913(66) 0.0 927. .
1082(72) 0.0 926. .
904(66) 0.0 926. .
954(68) 0.0 925. .
1091(72) 0.0 925. .
849(64) 0.0 924. .
1000(69) 0.0 924. .
945(67) 0.0 923. .
936(67) 0.0 923. .
913(66) 0.0 922. .
936(67) 0.0 922. .
886(65) 0.0 921. .
1004(69) 0.0 921. .
886(65) 0.0 920. .
995(69) 0.0 920. .
959(68) 0.0 919. .
945(67) 0.0 919. .
950(67) 0.0 918. .
876(65) 0.0 918. .
854(64) 0.0 917. .
1046(71) 0.0 916. .
858(64) 0.0 916. .
1018(70) 0.0 915. .
1065(49) 0.0 915. .
1109(50) 0.0 914. .
987(47) 0.0 913. .
935(46) 0.0 913. .
937(46) 0.0 912. .
932(46) 0.000473 912. 912.
988(47) 0.000453 911. 911.
957(46) 0.000473 910. 911.
925(45) 0.000494 910. 910.
948(46) 0.000473 909. 909.
892(45) 0.000494 908. 909.
915(45) 0.000494 908. 908.
927(46) 0.000473 907. 907.
982(47) 0.000453 906. 907.
912(45) 0.000494 906. 906.
921(45) 0.000494 905. 905.
926(45) 0.000494 905. 905.
1004(47) 0.000453 904. 904.
1013(47) 0.000453 903. 903.
903(45) 0.000494 903. 903.
822(43) 0.000541 902. 902.
870(44) 0.000517 901. 901.
879(44) 0.000517 900. 900.
840(43) 0.000541 900. 900.
914(45) 0.000494 899. 899.
927(45) 0.000494 898. 898.
909(45) 0.000494 898. 898.
936(46) 0.000473 897. 897.
904(45) 0.000494 896. 896.
845(43) 0.000541 896. 895.
887(44) 0.000517 895. 895.
943(46) 0.000473 894. 894.
901(45) 0.000494 894. 893.
930(45) 0.000494 893. 893.
879(44) 0.000517 892. 923.
875(44) 0.000517 892. 926.
871(44) 0.000517 891. 930.
892(45) 0.000494 890. 935.
956(46) 0.000473 889. 942.
962(46) 0.000473 889. 953.
1048(48) 0.000434 888. 971.
1062(49) 0.000416 887. 1006.
1187(51) 0.000384 887. 1070.
1292(53) 0.000356 886. 1185.
1468(57) 0.0003078 885. 1368.
1683(61) 0.0002687 884. 1637.
1961(66) 0.0002296 884. 2005.
2297(71) 0.0001984 883. 2501.
3008(81) 0.0001524 882. 3177.
4075(95) 0.0001108 882. 4108.
5370(110) 0.0000857 881. 5336.
6870(120) 0.0000661 880. 6733.
7900(130) 0.0000574 879. 7889.
8140(130) 0.0000557 879. 8199.
7430(130) 0.0000620 878. 7285.
5600(110) 0.0000812 877. 5497.
3668(90) 0.0001235 877. 3651.
2365(72) 0.0001929 876. 2301.
1613(60) 0.0002778 875. 1541.
1099(49) 0.000416 875. 1195.
929(45) 0.000494 874. 1058.
919(45) 0.000494 873. 1001.
846(43) 0.000541 872. 972.
835(43) 0.000541 872. 953.
842(43) 0.000541 871. 939.
836(43) 0.000541 870. 928.
819(43) 0.000541 870. 919.
798(42) 0.000567 869. 912.
913(45) 0.000494 868. 906.
869(44) 0.000517 868. 901.
834(43) 0.000541 867. 897.
857(44) 0.000517 866. 865.
881(44) 0.000517 865. 865.
872(44) 0.000517 865. 864.
844(43) 0.000541 864. 863.
825(43) 0.000541 863. 863.
841(43) 0.000541 863. 862.
830(43) 0.000541 862. 861.
893(45) 0.000494 861. 861.
894(45) 0.000494 861. 860.
811(43) 0.000541 860. 859.
894(45) 0.000494 859. 859.
902(45) 0.000494 859. 858.
839(43) 0.000541 858. 857.
831(43) 0.000541 857. 857.
884(44) 0.000517 857. 856.
853(44) 0.000517 856. 855.
887(44) 0.000517 855. 855.
865(44) 0.000517 855. 854.
957(46) 0.000473 854. 853.
895(45) 0.000494 853. 853.
902(45) 0.000494 853. 852.
898(45) 0.000494 852. 851.
894(45) 0.000494 851. 851.
797(42) 0.000567 851. 850.
800(42) 0.000567 850. 849.
841(59) 0.0002873 849. 849.
785(57) 0.0003078 849. 848.
858(60) 0.0002778 848. 847.
876(60) 0.0002778 847. 847.
925(45) 0.000494 847. 846.
914(45) 0.000494 846. 846.
824(42) 0.000567 846. 845.
832(43) 0.000541 845. 844.
813(42) 0.000567 844. 844.
794(42) 0.000567 844. 843.
854(43) 0.000541 843. 843.
846(43) 0.000541 842. 842.
784(41) 0.000595 842. 841.
844(43) 0.000541 841. 841.
830(42) 0.000567 841. 840.
792(41) 0.000595 840. 839.
811(42) 0.000567 839. 839.
823(42) 0.000567 839. 838.
836(43) 0.000541 838. 838.
810(42) 0.000567 838. 837.
912(45) 0.000494 837. 837.
858(43) 0.000541 836. 836.
815(42) 0.000567 836. 835.
857(43) 0.000541 835. 835.
879(44) 0.000517 835. 834.
819(42) 0.000567 834. 834.
804(42) 0.000567 834. 833.
872(44) 0.000517 833. 833.
848(43) 0.000541 832. 832.
837(43) 0.000541 832. 831.
849(43) 0.000541 831. 831.
864(43) 0.000541 831. 830.
770(41) 0.000595 830. 830.
844(43) 0.000541 830. 829.
836(43) 0.000541 829. 829.
801(42) 0.000567 829. 828.
861(43) 0.000541 828. 828.
814(42) 0.000567 827. 827.
842(43) 0.000541 827. 827.
841(43) 0.000541 826. 826.
844(43) 0.000541 826. 826.
804(42) 0.000567 825. 825.
830(42) 0.000567 825. 824.
910(44) 0.000517 824. 824.
885(44) 0.000517 824. 823.
808(42) 0.000567 823. 823.
820(42) 0.000567 823. 822.
794(42) 0.000567 822. 822.
810(42) 0.000567 822. 821.
841(43) 0.000541 821. 821.
828(42) 0.000567 821. 820.
829(42) 0.000567 820. 820.
830(42) 0.000567 820. 820.
798(42) 0.000567 819. 819.
818(42) 0.000567 819. 819.
823(42) 0.000567 818. 818.
809(42) 0.000567 818. 818.
780(41) 0.000595 817. 817.
804(42) 0.000567 817. 817.
885(44) 0.000517 816. 816.
842(43) 0.000541 816. 816.
739(40) 0.000625 816. 815.
771(41) 0.000595 815. 815.
811(42) 0.000567 815. 814.
814(42) 0.000567 814. 814.
817(42) 0.000567 814. 814.
838(43) 0.000541 813. 813.
822(42) 0.000567 813. 813.
763(41) 0.000595 812. 812.
815(42) 0.000567 812. 812.
818(42) 0.000567 812. 811.
839(43) 0.000541 811. 811.
861(43) 0.000541 811. 811.
798(42) 0.000567 810. 810.
822(42) 0.000567 810. 810.
849(43) 0.000541 809. 810.
816(42) 0.000567 809. 809.
814(42) 0.000567 809. 809.
831(42) 0.000567 808. 809.
745(40) 0.000625 808. 808.
804(42) 0.000567 807. 808.
831(42) 0.000567 807. 808.
837(43) 0.000541 807. 808.
807(42) 0.000567 806. 808.
823(42) 0.000567 806. 808.
876(44) 0.000517 806. 809.
841(43) 0.000541 805. 811.
803(42) 0.000567 805. 816.
882(44) 0.000517 804. 826.
845(43) 0.000541 804. 843.
925(45) 0.000494 804. 866.
907(44) 0.000517 803. 893.
939(45) 0.000494 803. 913.
1004(47) 0.000453 803. 915.
995(46) 0.000473 802. 896.
845(43) 0.000541 802. 865.
811(42) 0.000567 802. 836.
832(43) 0.000541 801. 818.
830(42) 0.000567 801. 808.
844(43) 0.000541 801. 804.
825(61) 0.0002687 800. 803.
781(40) 0.000625 800. 802.
788(40) 0.000625 800. 801.
803(41) 0.000595 799. 800.
828(41) 0.000595 799. 800.
765(40) 0.000625 799. 799.
812(41) 0.000595 798. 799.
821(41) 0.000595 798. 799.
793(41) 0.000595 798. 798.
751(39) 0.000657 797. 798.
827(41) 0.000595 797. 798.
823(41) 0.000595 797. 797.
825(41) 0.000595 796. 797.
844(42) 0.000567 796. 796.
873(43) 0.000541 796. 796.
827(41) 0.000595 796. 796.
811(41) 0.000595 795. 795.
787(40) 0.000625 795. 795.
878(43) 0.000541 795. 795.
816(41) 0.000595 795. 795.
804(41) 0.000595 794. 795.
852(42) 0.000567 794. 794.
898(43) 0.000541 794. 794.
843(42) 0.000567 793. 794.
818(41) 0.000595 793. 794.
827(41) 0.000595 793. 794.
789(40) 0.000625 793. 794.
796(41) 0.000595 792. 794.
813(41) 0.000595 792. 794.
862(42) 0.000567 792. 794.
846(42) 0.000567 792. 794.
750(39) 0.000657 791. 795.
761(40) 0.000625 791. 798.
754(40) 0.000625 791. 805.
758(40) 0.000625 791. 817.
817(41) 0.000595 791. 837.
879(43) 0.000541 790. 861.
896(43) 0.000541 790. 884.
823(41) 0.000595 790. 893.
830(42) 0.000567 790. 881.
791(41) 0.000595 789. 855.
829(41) 0.000595 789. 828.
775(40) 0.000625 789. 809.
793(41) 0.000595 789. 799.
868(42) 0.000567 789. 794.
761(40) 0.000625 788. 791.
809(41) 0.000595 788. 790.
869(42) 0.000567 788. 790.
838(42) 0.000567 788. 789.
779(40) 0.000625 788. 789.
834(42) 0.000567 787. 788.
819(41) 0.000595 787. 788.
799(41) 0.000595 787. 788.
806(41) 0.000595 787. 788.
773(40) 0.000625 787. 787.
879(43) 0.000541 786. 787.
791(41) 0.000595 786. 786.
745(39) 0.000657 786. 786.
791(41) 0.000595 786. 786.
781(40) 0.000625 786. 786.
764(40) 0.000625 786. 786.
769(40) 0.000625 785. 786.
760(40) 0.000625 785. 785.
788(40) 0.000625 785. 785.
785(40) 0.000625 785. 788.
760(40) 0.000625 785. 789.
748(39) 0.000657 785. 789.
754(40) 0.000625 785. 789.
790(40) 0.000625 784. 790.
766(40) 0.000625 784. 791.
854(42) 0.000567 784. 791.
783(40) 0.000625 784. 793.
761(40) 0.000625 784. 794.
832(42) 0.000567 784. 796.
762(40) 0.000625 784. 800.
851(42) 0.000567 783. 807.
796(41) 0.000595 783. 823.
795(41) 0.000595 783. 861.
973(45) 0.000494 783. 941.
1147(49) 0.000416 783. 1089.
1373(53) 0.000356 783. 1314.
1661(59) 0.0002873 783. 1575.
1870(62) 0.0002601 783. 1772.
1975(64) 0.0002441 782. 1791.
1685(59) 0.0002873 782. 1605.
1336(53) 0.000356 782. 1324.
1096(48) 0.000434 782. 1078.
885(43) 0.000541 782. 922.
848(42) 0.000567 782. 845.
826(41) 0.000595 782. 814.
778(40) 0.000625 782. 802.
796(41) 0.000595 781. 797.
757(40) 0.000625 781. 793.
739(39) 0.000657 781. 791.
806(41) 0.000595 781. 790.
825(41) 0.000595 781. 788.
778(40) 0.000625 781. 787.
751(39) 0.000657 781. 786.
751(39) 0.000657 781. 785.
749(39) 0.000657 781. 785.
790(38) 0.000693 781. 784.
762(38) 0.000693 781. 781.
768(38) 0.000693 780. 781.
797(39) 0.000657 780. 780.
764(38) 0.000693 780. 781.
763(38) 0.000693 780. 781.
829(39) 0.000657 780. 781.
744(37) 0.000730 780. 781.
780(38) 0.000693 780. 781.
746(37) 0.000730 780. 781.
739(37) 0.000730 780. 781.
765(38) 0.000693 780. 782.
744(37) 0.000730 780. 782.
753(37) 0.000730 780. 782.
761(38) 0.000693 780. 783.
844(40) 0.000625 779. 784.
785(38) 0.000693 779. 787.
740(37) 0.000730 779. 793.
793(38) 0.000693 779. 807.
815(39) 0.000657 779. 836.
949(42) 0.000567 779. 885.
978(43) 0.000541 779. 950.
1061(45) 0.000494 779. 1012.
1091(45) 0.000494 779. 1039.
1047(44) 0.000517 779. 1011.
995(43) 0.000541 779. 945.
911(41) 0.000595 779. 876.
836(39) 0.000657 779. 827.
801(39) 0.000657 779. 800.
781(38) 0.000693 779. 789.
776(38) 0.000693 779. 784.
757(38) 0.000693 778. 783.
779(38) 0.000693 778. 782.
757(38) 0.000693 778. 781.
772(38) 0.000693 778. 780.
746(37) 0.000730 778. 780.
807(39) 0.000657 778. 780.
746(37) 0.000730 778. 779.
792(38) 0.000693 778. 779.
801(39) 0.000657 778. 779.
786(38) 0.000693 778. 779.
767(38) 0.000693 778. 779.
763(38) 0.000693 778. 778.
827(39) 0.000657 778. 778.
810(39) 0.000657 778. 778.
790(38) 0.000693 778. 778.
759(38) 0.000693 778. 778.
775(38) 0.000693 778. 778.
819(39) 0.000657 778. 778.
817(39) 0.000657 778. 778.
788(38) 0.000693 778. 779.
794(38) 0.000693 778. 779.
813(39) 0.000657 778. 779.
783(38) 0.000693 778. 779.
739(37) 0.000730 778. 779.
747(37) 0.000730 777. 780.
779(38) 0.000693 777. 781.
792(38) 0.000693 777. 783.
776(38) 0.000693 777. 788.
782(38) 0.000693 777. 799.
733(37) 0.000730 777. 822.
848(40) 0.000625 777. 859.
894(41) 0.000595 777. 905.
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1150(44) . . .
1082(43) . . .
1078(42) . . .
1081(42) . . .
1134(43) . . .
1178(44) . . .
1113(43) . . .
1103(43) . . .
1117(43) . . .
1183(44) . . .
1232(45) . . .
1178(44) . . .
1205(45) . . .
1211(45) . . .
1152(44) . . .
1160(44) . . .
1165(44) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             805
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.051
_reflns_d_resolution_low         12.937
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003010'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1P5CO2_ZN_publ

_pd_block_id                     2014-01-20T21:43|1P5CO2_ZN||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-20T21:43
_audit_update_record             
; 2014-01-20T21:43  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.03
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     73
_refine_ls_goodness_of_fit_all   1.12
_refine_ls_number_restraints     5
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      10

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    10

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.8504(20)
_cell_length_b                   25.8504
_cell_length_c                   6.8072(8)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3939.4(6)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Zn Zn1 0.3819(10) 0.3509(10) 0.1454(24) 1.0 Uiso 0.007(6) 18
O O1 0.3325(8) 0.2955(9) 0.3719(32) 1.0 Uiso 0.0040(33) 18
O O2 0.3040(8) 0.2280(9) 0.5995(27) 1.0 Uiso 0.0040(33) 18
O O3 0.3558(10) 0.2742(9) 0.0095(32) 1.0 Uiso 0.0040(33) 18
C C1 0.3165(10) 0.2452(10) 0.4291(24) 1.0 Uiso 0.0183(27) 18
C C2 0.3269(10) 0.2081(8) 0.2879(24) 1.0 Uiso 0.0183(27) 18
C C3 0.3456(8) 0.2212(9) 0.0966(27) 1.0 Uiso 0.0183(27) 18
C C4 0.3503(9) 0.1816(11) -0.0305(28) 1.0 Uiso 0.0183(27) 18
H H 0.3633(17) 0.1905(14) -0.155(6) 1.0 Uiso 0.010(10) 18
O O2b 0.2334(34) 0.7467(32) 0.626(8) 0.687(20) Uiso 0.120(25) 18
C C2a 0.1828(18) 0.7111(16) 0.618(5) 0.687(20) Uiso 0.051(13) 18
O O2a 0.1337(17) 0.6805(14) 0.615(4) 0.687(20) Uiso 0.007(12) 18
O O3b 0.2029(24) 0.0238(26) 0.690(9) 0.598(21) Uiso 0.082(20) 18
C C3a 0.1812(17) 0.0251(19) 0.530(6) 0.598(21) Uiso 0.056(18) 18
O O3a 0.1605(20) 0.0278(22) 0.389(9) 0.598(21) Uiso 0.074(20) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C5.29 H O5.57 Zn'
_chemical_formula_weight         219.00
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 Zn1 2.965(24) . 103_554 N
Zn1 Zn1 2.965(24) . 202_555 N
Zn1 O1 2.057(26) . 1_555 N
Zn1 O1 2.156(27) . 103_554 N
Zn1 O2 2.078(32) . 202_554 N
Zn1 O3 1.975(28) . 1_555 N
Zn1 O3 2.043(31) . 202_555 N
Zn1 O2a 2.43(4) . 101_544 N
O1 Zn1 2.057(26) . 1_555 N
O1 Zn1 2.156(27) . 202_555 N
O1 O2 2.169(25) . 1_555 N
O1 C1 1.214(28) . 1_555 N
O2 Zn1 2.078(32) . 103_555 N
O2 O1 2.169(25) . 1_555 N
O2 C1 1.227(20) . 1_555 N
O3 Zn1 1.975(28) . 1_555 N
O3 Zn1 2.043(31) . 103_554 N
O3 C3 1.393(25) . 1_555 N
C1 O1 1.214(28) . 1_555 N
C1 O2 1.227(20) . 1_555 N
C1 C2 1.475(26) . 1_555 N
C2 C1 1.475(26) . 1_555 N
C2 C3 1.371(20) . 1_555 N
C3 O3 1.393(25) . 1_555 N
C3 C2 1.371(20) . 1_555 N
C3 C4 1.391(24) . 1_555 N
C4 C3 1.391(24) . 1_555 N
C4 H 0.90(5) . 1_555 N
H C4 0.90(5) . 1_555 N
O2b C2a 1.16(8) . 1_555 N
C2a O2b 1.16(8) . 1_555 N
C2a O2a 1.11(5) . 1_555 N
O2a Zn1 2.43(4) . 201_455 N
O2a C2a 1.11(5) . 1_555 N
O3b C3a 1.23(6) . 1_555 N
C3a O3b 1.23(6) . 1_555 N
C3a O3a 1.12(7) . 1_555 N
O3a C3a 1.12(7) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn1 O1 84.0(9) 1_555 . 103_554 N
O1 Zn1 O2 174.8(15) 1_555 . 202_554 N
O1 Zn1 O3 82.6(13) 1_555 . 1_555 N
O1 Zn1 O3 81.7(12) 1_555 . 202_555 N
O1 Zn1 O2 101.0(12) 103_554 . 202_554 N
O1 Zn1 O3 80.8(12) 103_554 . 1_555 N
O1 Zn1 O3 95.3(11) 103_554 . 202_555 N
O2 Zn1 O3 99.6(11) 202_554 . 1_555 N
O2 Zn1 O3 96.2(14) 202_554 . 202_555 N
O3 Zn1 O3 164.1(17) 1_555 . 202_555 N
Zn1 O1 Zn1 89.4(9) 1_555 . 202_555 N
Zn1 O1 C1 138.2(21) 1_555 . 1_555 N
Zn1 O1 C1 132.4(18) 202_555 . 1_555 N
Zn1 O2 C1 119.7(17) 103_555 . 1_555 N
Zn1 O3 Zn1 95.1(15) 1_555 . 103_554 N
Zn1 O3 C3 126.1(18) 1_555 . 1_555 N
Zn1 O3 C3 127.2(17) 103_554 . 1_555 N
O1 C1 O2 125.4(23) 1_555 . 1_555 N
O1 C1 C2 114.4(18) 1_555 . 1_555 N
O2 C1 C2 118.7(20) 1_555 . 1_555 N
C1 C2 C3 128.0(21) 1_555 . 1_555 N
O3 C3 C2 121.1(22) 1_555 . 1_555 N
O3 C3 C4 114.6(20) 1_555 . 1_555 N
C2 C3 C4 124.0(20) 1_555 . 1_555 N
C3 C4 H 123.8(29) 1_555 . 1_555 N
O2b C2a O2a 175(6) 1_555 . 1_555 N
O3b C3a O3a 177(5) 1_555 . 1_555 N

# Powder diffraction data for histogram  9
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT341_1P5CO2_ZN_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0300 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
_vrf_PLAT601_1P5CO2_ZN_publ      
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        172 Ang3  
RESPONSE: The material is very porous and was evacuated prior to CO2 loading. Even at this loading, the channel pore remains partially evacuated.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Zn 18.0 0.5680 International_Tables_Vol_C
O 100.278 0.5803 International_Tables_Vol_C
C 95.139 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0309
_pd_proc_ls_prof_wR_factor       0.0369
_pd_proc_ls_prof_wR_expected     0.0334
_refine_ls_R_Fsqd_factor         0.05515

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    816.082     2:   -148.587     3:    117.350     4:   -15.4387    
      5:    31.0026     6:   -17.5255     7:    32.4176     8:   -20.1982    
      9:    18.2197    10:   -2.19845    11:  -0.473677    12:    3.84833    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  623.056 #2(GV)   = -279.118 #3(GW)   =   74.766
 #4(GP)   =   37.209 #5(LX)   =    0.000 #6(LY)   =   48.725
 #7(S/L)  =   0.0462 #8(H/L)  =   0.0164
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-01-20T21:43:37
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5258
_pd_proc_2theta_range_max        166.2758
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
13060(240) 0.0 1676. .
11280(220) 0.0 1671. .
10400(220) 0.0 1665. .
8790(200) 0.0 1660. .
7670(190) 0.0 1654. .
7020(180) 0.0 1649. .
6270(170) 0.0 1643. .
5950(160) 0.0 1638. .
5070(150) 0.0 1633. .
4890(150) 0.0 1627. .
4370(140) 0.0 1622. .
4350(140) 0.0 1616. .
4300(140) 0.0 1611. .
4040(130) 0.0 1606. .
3880(130) 0.0 1601. .
3570(130) 0.0 1595. .
3270(120) 0.0 1590. .
3360(120) 0.0 1585. .
3130(120) 0.0 1580. .
3090(120) 0.0 1575. .
3140(120) 0.0 1569. .
3130(120) 0.0 1564. .
2960(110) 0.0 1559. .
3010(120) 0.0 1554. .
2820(110) 0.0 1549. .
2890(110) 0.0 1544. .
2900(110) 0.0 1539. .
2540(110) 0.0 1534. .
2720(110) 0.0 1529. .
2560(110) 0.0 1524. .
2430(100) 0.0 1519. .
2210(98) 0.0 1514. .
2350(100) 0.0 1509. .
2320(100) 0.0 1505. .
2196(98) 0.0 1500. .
2084(95) 0.0 1495. .
2187(98) 0.0 1490. .
2057(95) 0.0 1485. .
1994(93) 0.0 1481. .
2066(95) 0.0 1476. .
2012(94) 0.0 1471. .
2008(93) 0.0 1467. .
2075(95) 0.0 1462. .
1904(91) 0.0 1457. .
1949(92) 0.0 1453. .
1873(90) 0.0 1448. .
1635(84) 0.0 1444. .
1653(84) 0.0 1439. .
1783(88) 0.0 1434. .
1850(90) 0.0 1430. .
1675(85) 0.0 1426. .
1756(87) 0.0 1421. .
1608(83) 0.0 1417. .
1850(90) 0.0 1412. .
1761(87) 0.0 1408. .
1819(89) 0.0 1404. .
1590(83) 0.0 1399. .
1873(90) 0.0 1395. .
1612(83) 0.0 1391. .
1599(83) 0.0 1386. .
1653(84) 0.0 1382. .
1765(87) 0.0 1378. .
1437(79) 0.0 1374. .
1532(81) 0.0 1370. .
1518(81) 0.0 1365. .
1514(81) 0.0 1361. .
1357(76) 0.0 1357. .
1406(78) 0.0 1353. .
1545(82) 0.0 1349. .
1469(79) 0.0 1345. .
1630(84) 0.0 1341. .
1473(80) 0.0 1337. .
1541(81) 0.0 1333. .
1491(80) 0.0 1329. .
1410(78) 0.0 1325. .
1361(76) 0.0 1321. .
1424(78) 0.0 1317. .
1532(81) 0.0 1314. .
1428(78) 0.0 1310. .
1406(78) 0.0 1306. .
1352(76) 0.0 1302. .
1419(78) 0.0 1298. .
1419(78) 0.0 1295. .
1276(74) 0.0 1291. .
1424(78) 0.0 1287. .
1410(78) 0.0 1284. .
1312(75) 0.0 1280. .
1321(75) 0.0 1276. .
1262(73) 0.0 1273. .
1424(78) 0.0 1269. .
1321(75) 0.0 1265. .
1451(79) 0.0 1262. .
1258(73) 0.0 1258. .
1330(75) 0.0 1255. .
1361(76) 0.0 1251. .
1316(75) 0.0 1248. .
1294(74) 0.0 1245. .
1312(75) 0.0 1241. .
1195(71) 0.0 1238. .
1312(75) 0.0 1234. .
1518(56) 0.0 1231. .
1358(53) 0.0 1228. .
1387(53) 0.0 1224. .
1337(52) 0.0 1221. .
1318(52) 0.0 1218. .
1299(52) 0.000370 1215. 1214.
1448(55) 0.0003306 1211. 1218.
1261(51) 0.000384 1208. 1215.
1387(53) 0.000356 1205. 1212.
1269(51) 0.000384 1202. 1210.
1217(50) 0.000400 1199. 1207.
1261(51) 0.000384 1196. 1204.
1280(51) 0.000384 1193. 1202.
1143(48) 0.000434 1190. 1199.
1165(49) 0.000416 1187. 1197.
1212(50) 0.000400 1184. 1195.
1151(48) 0.000434 1181. 1192.
1123(48) 0.000434 1178. 1190.
1246(50) 0.000400 1175. 1188.
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1168(49) 0.000416 1169. 1184.
1140(48) 0.000434 1166. 1182.
1174(49) 0.000416 1163. 1181.
1091(47) 0.000453 1160. 1179.
1130(48) 0.000434 1157. 1178.
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1086(47) 0.000453 1152. 1176.
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1150(48) 0.000434 1146. 1175.
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1227(50) 0.000400 1135. 1179.
1289(51) 0.000384 1133. 1182.
1257(51) 0.000384 1130. 1187.
1307(52) 0.000370 1127. 1195.
1284(51) 0.000384 1125. 1211.
1413(54) 0.0003429 1122. 1242.
1563(57) 0.0003078 1120. 1302.
1608(58) 0.0002973 1117. 1408.
1660(59) 0.0002873 1115. 1576.
1973(64) 0.0002441 1112. 1815.
2119(66) 0.0002296 1110. 2129.
2418(71) 0.0001984 1107. 2517.
2822(77) 0.0001687 1105. 2983.
3241(83) 0.0001452 1102. 3543.
3917(91) 0.0001208 1100. 4220.
4880(100) 0.0000961 1098. 5054.
5810(110) 0.0000812 1095. 6093.
7760(130) 0.0000601 1093. 7373.
9110(140) 0.0000518 1091. 8854.
10430(150) 0.0000450 1088. 10316.
11170(160) 0.0000416 1086. 11298.
11050(150) 0.0000422 1084. 11233.
9450(140) 0.0000496 1081. 9823.
7280(120) 0.0000650 1079. 7460.
4890(100) 0.0000961 1077. 5026.
3014(80) 0.0001562 1075. 3181.
2175(67) 0.0002228 1073. 2083.
1461(55) 0.0003306 1071. 1553.
1209(50) 0.000400 1068. 1332.
1091(47) 0.000453 1066. 1242.
1099(47) 0.000453 1064. 1199.
1087(47) 0.000453 1062. 1173.
1052(46) 0.000473 1060. 1153.
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1163(49) 0.000416 1056. 1125.
1073(47) 0.000453 1054. 1114.
1057(46) 0.000473 1052. 1105.
1043(46) 0.000473 1050. 1097.
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1022(45) 0.000494 1042. 1074.
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1003(45) 0.000494 1031. 1050.
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979(44) 0.000517 1027. 1044.
1138(48) 0.000434 1026. 1042.
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1012(45) 0.000494 1022. 1036.
1010(45) 0.000494 1021. 1034.
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1040(46) 0.000473 1006. 1006.
918(43) 0.000541 1004. 1005.
955(61) 0.0002687 1003. 1003.
1000(62) 0.0002601 1001. 1002.
961(61) 0.0002687 1000. 1000.
931(60) 0.0002778 998. 999.
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981(45) 0.000494 995. 996.
950(44) 0.000517 994. 994.
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1021(46) 0.000473 991. 991.
1063(47) 0.000453 989. 990.
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1003(45) 0.000494 983. 983.
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1014(45) 0.000494 980. 980.
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980(45) 0.000494 972. 973.
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912(43) 0.000541 970. 970.
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960(44) 0.000517 968. 968.
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902(43) 0.000541 964. 965.
1020(46) 0.000473 963. 963.
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928(43) 0.000541 961. 961.
950(44) 0.000517 960. 960.
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1001(45) 0.000494 957. 957.
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882(42) 0.000567 952. 952.
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937(44) 0.000517 933. 934.
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955(44) 0.000517 931. 932.
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959(44) 0.000517 929. 931.
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877(42) 0.000567 925. 929.
920(43) 0.000541 924. 929.
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930(43) 0.000541 922. 929.
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915(43) 0.000541 921. 932.
1003(45) 0.000494 920. 934.
1031(46) 0.000473 920. 940.
1072(47) 0.000453 919. 950.
1113(48) 0.000434 919. 969.
1202(50) 0.000400 918. 1000.
1340(53) 0.000356 918. 1049.
1459(55) 0.0003306 917. 1118.
1588(57) 0.0003078 917. 1211.
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1532(56) 0.0003189 915. 1498.
1542(57) 0.0003078 915. 1494.
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1292(52) 0.000370 914. 1263.
1141(48) 0.000434 913. 1129.
987(45) 0.000494 913. 1032.
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860(61) 0.0002687 912. 933.
896(42) 0.000567 911. 927.
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1425(53) 0.000356 897. 1448.
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1837(61) 0.0002687 897. 1882.
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1510(55) 0.0003306 897. 1428.
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814(38) 0.000693 899. 904.
843(39) 0.000657 899. 904.
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1345(49) 0.000416 901. 1353.
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1054(44) 0.000517 901. 1128.
980(42) 0.000567 901. 1039.
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1133(45) 0.000494 902. 1183.
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1190(46) 0.000473 903. 1129.
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1824(57) 0.0003078 904. 1895.
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1599(54) 0.0003429 904. 1568.
1426(50) 0.000400 904. 1367.
1246(47) 0.000453 904. 1203.
1086(44) 0.000517 904. 1089.
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1004(41) 0.000595 899. 1012.
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819(26) 0.001479 734.9 817.2
805(25) 0.001600 735.2 816.9
807(25) 0.001600 735.4 816.6
775(25) 0.001600 735.6 816.4
793(25) 0.001600 735.9 816.3
800(25) 0.001600 736.1 816.3
861(26) 0.001479 736.3 816.3
841(26) 0.001479 736.6 816.3
823(26) 0.001479 736.8 816.4
860(26) 0.001479 737.1 816.6
850(26) 0.001479 737.3 816.8
818(25) 0.001600 737.6 817.1
796(25) 0.001600 737.8 817.4
853(26) 0.001479 738.1 817.8
818(25) 0.001600 738.3 818.2
813(25) 0.001600 738.6 818.7
828(26) 0.001479 738.9 819.3
809(25) 0.001600 739.2 819.9
804(25) 0.001600 739.4 820.6
797(25) 0.001600 739.7 821.3
801(25) 0.001600 740.0 822.1
827(26) 0.001479 740.3 822.9
835(26) 0.001479 740.6 823.8
832(26) 0.001479 740.9 824.7
832(26) 0.001479 741.2 825.7
832(26) 0.001479 741.5 826.8
854(26) 0.001479 741.8 828.0
851(26) 0.001479 742.1 829.2
823(26) 0.001479 742.4 830.5
844(26) 0.001479 742.7 831.8
823(26) 0.001479 743.0 833.2
811(25) 0.001600 743.3 834.7
811(25) 0.001600 743.7 836.3
848(26) 0.001479 744.0 837.9
868(26) 0.001479 744.3 839.6
848(26) 0.001479 744.7 841.4
851(26) 0.001479 745.0 843.2
857(26) 0.001479 745.4 845.1
845(26) 0.001479 745.7 847.1
842(26) 0.001479 746.1 849.2
862(26) 0.001479 746.4 851.3
862(26) 0.001479 746.8 853.4
852(26) 0.001479 747.2 855.7
852(26) 0.001479 747.6 857.9
836(26) 0.001479 747.9 860.3
855(26) 0.001479 748.3 862.7
833(26) 0.001479 748.7 865.1
870(26) 0.001479 749.1 867.5
856(26) 0.001479 749.5 870.0
847(26) 0.001479 749.9 872.5
862(26) 0.001479 750.3 875.0
899(27) 0.001372 750.8 877.6
895(27) 0.001372 751.2 880.1
844(26) 0.001479 751.6 882.7
884(26) 0.001479 752.1 885.2
880(26) 0.001479 752.5 887.8
925(27) 0.001372 753.0 890.3
927(27) 0.001372 753.4 892.8
893(27) 0.001372 753.9 895.3
886(26) 0.001479 754.3 897.8
886(26) 0.001479 754.8 900.2
877(26) 0.001479 755.3 902.6
900(27) 0.001372 755.8 904.9
941(27) 0.001372 756.3 907.2
919(27) 0.001372 756.8 909.4
905(27) 0.001372 757.3 911.5
908(27) 0.001372 757.8 913.6
930(27) 0.001372 758.3 915.6
944(27) 0.001372 758.8 917.5
941(27) 0.001372 759.4 919.3
940(27) 0.001372 759.9 921.0
947(27) 0.001372 760.4 922.6
925(27) 0.001372 761.0 924.1
924(27) 0.001372 761.6 925.5
954(27) 0.001372 762.1 926.8
942(27) 0.001372 762.7 927.9
940(27) 0.001372 763.3 929.0
948(27) 0.001372 763.9 929.9
939(27) 0.001372 764.5 930.7
936(27) 0.001372 765.1 931.4
919(27) 0.001372 765.7 931.9
924(27) 0.001372 766.3 932.4
920(27) 0.001372 767.0 932.7
926(27) 0.001372 767.6 932.9
909(27) 0.001372 768.3 933.0
904(27) 0.001372 768.9 933.0
909(27) 0.001372 769.6 932.9
921(27) 0.001372 770.3 932.6
898(27) 0.001372 770.9 932.3
925(27) 0.001372 771.6 932.0
934(27) 0.001372 772.3 931.5
936(27) 0.001372 773.1 931.0
946(27) 0.001372 773.8 930.4
898(27) 0.001372 774.5 929.7
944(27) 0.001372 775.3 929.0
980(28) 0.001276 776.0 928.3
921(27) 0.001372 776.8 927.5
917(27) 0.001372 777.5 926.8
912(27) 0.001372 778.3 926.0
920(27) 0.001372 779.1 925.2
926(27) 0.001372 779.9 924.4
914(27) 0.001372 780.7 923.7
914(27) 0.001372 781.6 923.0
892(27) 0.001372 782.4 922.3
902(27) 0.001372 783.2 921.6
940(27) 0.001372 784.1 921.0
933(27) 0.001372 785.0 920.5
911(27) 0.001372 785.8 920.0
909(27) 0.001372 786.7 919.6
885(26) 0.001479 787.6 919.3
893(27) 0.001372 788.6 919.1
906(27) 0.001372 789.5 918.9
911(27) 0.001372 790.4 918.9
889(27) 0.001372 791.4 918.9
898(27) 0.001372 792.3 919.0
897(27) 0.001372 793.3 919.2
903(27) 0.001372 794.3 919.6
945(27) 0.001372 795.3 920.0
913(27) 0.001372 796.3 920.6
897(27) 0.001372 797.4 921.2
893(27) 0.001372 798.4 922.0
927(22) 0.002066 799.5 922.8
915(27) 0.001372 800.5 923.8
914(27) 0.001372 801.6 924.9
908(27) 0.001372 802.7 926.1
918(27) 0.001372 803.8 927.4
932(27) 0.001372 804.9 928.8
933(27) 0.001372 806.1 930.3
921(27) 0.001372 807.2 931.9
927(27) 0.001372 808.4 933.6
952(28) 0.001276 809.6 935.4
951(28) 0.001276 810.8 937.3
944(27) 0.001372 812.0 939.2
948(27) 0.001372 813.3 941.3
955(28) 0.001276 814.5 943.4
957(28) . . .
929(27) . . .
926(27) . . .
955(28) . . .
963(28) . . .
948(27) . . .
955(28) . . .
981(28) . . .
980(28) . . .
955(28) . . .
963(28) . . .
981(28) . . .
952(28) . . .
959(28) . . .
983(28) . . .
994(28) . . .
981(28) . . .
1003(28) . . .
1002(28) . . .
988(28) . . .
974(28) . . .
988(28) . . .
985(28) . . .
988(28) . . .
997(28) . . .
975(28) . . .
997(28) . . .
1007(28) . . .
988(28) . . .
995(28) . . .
989(28) . . .
980(28) . . .
1005(28) . . .
996(28) . . .
1014(28) . . .
1031(29) . . .
1003(28) . . .
994(28) . . .
1003(28) . . .
1022(29) . . .
1028(29) . . .
1024(29) . . .
1026(29) . . .
1029(29) . . .
998(28) . . .
990(28) . . .
993(28) . . .
1026(29) . . .
1019(28) . . .
1031(29) . . .
1068(29) . . .
1064(29) . . .
1057(29) . . .
1062(29) . . .
1058(29) . . .
1067(29) . . .
1055(29) . . .
1044(29) . . .
1063(29) . . .
1086(29) . . .
1076(29) . . .
1037(29) . . .
1041(29) . . .
1086(29) . . .
1091(29) . . .
1104(30) . . .
1107(30) . . .
1093(29) . . .
1082(29) . . .
1080(29) . . .
1079(29) . . .
1054(29) . . .
1063(29) . . .
1095(29) . . .
1103(30) . . .
1095(29) . . .
1086(29) . . .
1075(29) . . .
1054(29) . . .
1066(29) . . .
1071(29) . . .
1070(29) . . .
1102(30) . . .
1083(29) . . .
1071(29) . . .
1069(29) . . .
1093(30) . . .
1094(30) . . .
1066(30) . . .
1074(30) . . .
1104(30) . . .
1122(30) . . .
1126(30) . . .
1119(30) . . .
1174(31) . . .
1148(31) . . .
1127(30) . . .
1147(31) . . .
1145(31) . . .
1130(31) . . .
1125(30) . . .
1144(31) . . .
1143(31) . . .
1107(30) . . .
1114(30) . . .
1182(31) . . .
1220(32) . . .
1191(31) . . .
1158(31) . . .
1125(30) . . .
1147(31) . . .
1150(31) . . .
1139(31) . . .
1165(31) . . .
1187(31) . . .
1200(31) . . .
1161(31) . . .
1157(31) . . .
1154(31) . . .
1194(31) . . .
1192(31) . . .
1194(31) . . .
1189(31) . . .
1175(31) . . .
1191(31) . . .
1193(31) . . .
1215(32) . . .
1232(32) . . .
1199(31) . . .
1185(31) . . .
1187(31) . . .
1188(31) . . .
1191(31) . . .
1205(31) . . .
1209(32) . . .
1215(32) . . .
1251(32) . . .
1226(32) . . .
1252(32) . . .
1252(32) . . .
1204(31) . . .
1226(32) . . .
1218(32) . . .
1265(32) . . .
1265(32) . . .
1192(31) . . .
1226(32) . . .
1287(32) . . .
1287(32) . . .
1235(32) . . .
1272(32) . . .
1269(32) . . .
1261(32) . . .
1251(32) . . .
1273(32) . . .
1263(32) . . .
1281(32) . . .
1353(33) . . .
1285(32) . . .
1302(33) . . .
1303(33) . . .
1318(33) . . .
1301(33) . . .
1326(33) . . .
1351(33) . . .
1323(33) . . .
1340(33) . . .
1377(34) . . .
1371(33) . . .
1308(33) . . .
1301(33) . . .
1329(33) . . .
1371(33) . . .
1323(33) . . .
1325(33) . . .
1341(33) . . .
1333(33) . . .
1332(33) . . .
1370(33) . . .
1424(34) . . .
1423(34) . . .
1432(34) . . .
1399(34) . . .
1425(34) . . .
1429(34) . . .
1416(34) . . .
1466(50) . . .
1408(49) . . .
1367(48) . . .
1375(48) . . .
1464(50) . . .
1474(50) . . .
1423(49) . . .
1390(48) . . .
1445(49) . . .
1352(48) . . .
1481(50) . . .
1549(51) . . .
1544(51) . . .
1457(49) . . .
1444(49) . . .
1353(48) . . .
1438(49) . . .
1476(50) . . .
1537(51) . . .
1584(51) . . .
1525(51) . . .
1489(50) . . .
1527(51) . . .
1601(52) . . .
1553(51) . . .
1578(51) . . .
1440(49) . . .
1505(50) . . .
1584(51) . . .
1600(52) . . .
1545(51) . . .
1534(51) . . .
1561(51) . . .
1523(51) . . .
1560(51) . . .
1600(52) . . .
1607(52) . . .
1568(51) . . .
1591(52) . . .
1619(52) . . .
1559(51) . . .
1610(52) . . .
1585(51) . . .
1546(51) . . .
1585(51) . . .
1596(52) . . .
1643(52) . . .
1615(52) . . .
1693(53) . . .
1653(52) . . .
1679(53) . . .
1662(53) . . .
1649(52) . . .
1577(51) . . .
1659(53) . . .
1603(52) . . .
1654(52) . . .
1678(53) . . .
1738(54) . . .
1691(53) . . .
1657(53) . . .
1659(53) . . .
1692(53) . . .
1701(53) . . .
1708(53) . . .
1691(53) . . .
1669(53) . . .
1790(54) . . .
1748(54) . . .
1724(53) . . .
1670(53) . . .
1720(53) . . .
1765(54) . . .
1765(54) . . .
1829(55) . . .
1773(54) . . .
1815(55) . . .
1745(54) . . .
1739(54) . . .
1725(54) . . .
1789(54) . . .
1856(55) . . .
1852(55) . . .
1755(54) . . .
1798(55) . . .
1807(55) . . .
1834(55) . . .
1773(54) . . .
1770(54) . . .
1852(55) . . .
1835(55) . . .
1887(56) . . .
1818(55) . . .
1867(56) . . .
1896(56) . . .
1850(55) . . .
1762(54) . . .
1738(54) . . .
1884(56) . . .
1914(56) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             746
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.075
_reflns_d_resolution_low         12.925
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003011'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_954T_COPY_publ

_pd_block_id                     2014-05-09T11:20|954T_COPY|MH|17BMB

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-05-09T11:20
_audit_update_record             
; 2014-05-09T11:20  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  Blue # use ICDD colour descriptions
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     50
_refine_ls_goodness_of_fit_all   1.09
_refine_ls_number_restraints     15
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    150

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   'from C:/gsas/data/APS/Mg600/MG-B.EXP'
_cell_length_a                   25.89776(33)
_cell_length_b                   25.89776
_cell_length_c                   6.27846(10)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3646.76(8)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Cu Cu 0.38740(10) 0.34916(10) 0.1751(4) 1.0 Uiso 0.0126(6) 18
O O1 0.3544(4) 0.3004(4) 0.4265(17) 1.0 Uiso 0.0142(25) 18
O O2 0.2899(4) 0.2255(4) 0.6333(19) 1.0 Uiso 0.0142(25) 18
O O3 0.3624(4) 0.2781(4) 0.0119(19) 1.0 Uiso 0.0142(25) 18
C C1 0.3284(8) 0.2478(6) 0.4850(22) 1.0 Uiso 0.011(4) 18
C C2 0.3289(8) 0.2082(8) 0.3041(30) 1.0 Uiso 0.011(4) 18
C C3 0.3479(8) 0.2225(5) 0.0907(31) 1.0 Uiso 0.011(4) 18
C C4 0.3546(6) 0.1838(8) -0.0241(25) 1.0 Uiso 0.011(4) 18
O O1a 0.2710(10) 0.7494(15) 0.527(6) 0.532(12) Uiso 0.182(20) 18
C C1a 0.2207(12) 0.7272(19) 0.564(9) 0.532(12) Uiso 0.164(29) 18
O O1b 0.1711(9) 0.7018(11) 0.615(5) 0.532(12) Uiso 0.099(16) 18
O O2a 0.1485(13) 0.0025(14) 0.349(4) 0.506(10) Uiso 0.121(14) 18
C C2a 0.1539(18) -0.0014(20) 0.530(4) 0.506(10) Uiso 0.121(14) 18
O O2b 0.1599(13) -0.0041(15) 0.711(4) 0.506(10) Uiso 0.108(16) 18
O O3a 0.0 0.0 0.3163(9) 0.583(17) Uiso 0.156(24) 6
C C3a 0.0 0.0 0.5 0.583(17) Uiso 0.35(9)2 3

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C5.14 Cu O5.27'
_chemical_formula_weight         209.55
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu Cu 3.0073(28) . 103_554 N
Cu Cu 3.0073(28) . 202_555 N
Cu O1 1.934(10) . 1_555 N
Cu O1 2.518(9) . 103_554 N
Cu O1 2.935(10) . 202_554 N
Cu O2 1.866(10) . 202_554 N
Cu O3 1.914(10) . 1_555 N
Cu O3 2.058(10) . 202_555 N
Cu C1 2.999(10) . 1_555 N
Cu C1 2.670(13) . 202_554 N
Cu C3 2.954(13) . 1_555 N
Cu C3 2.912(14) . 202_555 N
Cu O1b 2.892(20) . 101_544 N
O1 Cu 1.934(10) . 1_555 N
O1 Cu 2.935(10) . 103_555 N
O1 Cu 2.518(9) . 202_555 N
O1 O2 2.235(13) . 1_555 N
O1 C1 1.234(7) . 1_555 N
O1 C2 2.270(17) . 1_555 N
O2 Cu 1.866(10) . 103_555 N
O2 O1 2.235(13) . 1_555 N
O2 C1 1.273(7) . 1_555 N
O2 C2 2.439(17) . 1_555 N
O3 Cu 1.914(10) . 1_555 N
O3 Cu 2.058(10) . 103_554 N
O3 C2 2.414(23) . 1_555 N
O3 C3 1.385(7) . 1_555 N
O3 C4 2.359(23) . 1_555 N
C1 Cu 2.999(10) . 1_555 N
C1 Cu 2.670(13) . 103_555 N
C1 O1 1.234(7) . 1_555 N
C1 O2 1.273(7) . 1_555 N
C1 C2 1.536(7) . 1_555 N
C1 C4 2.494(25) . -201_444 N
C2 O1 2.270(17) . 1_555 N
C2 O2 2.439(17) . 1_555 N
C2 O3 2.414(23) . 1_555 N
C2 C1 1.536(7) . 1_555 N
C2 C3 1.41(3) . 1_555 N
C2 C3 2.432(13) . -201_444 N
C2 C4 2.347(17) . 1_555 N
C2 C4 1.394(7) . -201_444 N
C3 Cu 2.954(13) . 1_555 N
C3 Cu 2.912(14) . 103_554 N
C3 O3 1.385(7) . 1_555 N
C3 C2 1.41(3) . 1_555 N
C3 C2 2.432(13) . -201_444 N
C3 C4 1.316(13) . 1_555 N
C3 C4 2.342(19) . -201_444 N
C4 O3 2.359(23) . 1_555 N
C4 C1 2.494(25) . -201_444 N
C4 C2 2.347(17) . 1_555 N
C4 C2 1.394(7) . -201_444 N
C4 C3 1.316(13) . 1_555 N
C4 C3 2.342(19) . -201_444 N
O1a C1a 1.155(8) . 1_555 N
O1a O1b 2.308(11) . 1_555 N
O1a O2a 2.58(5) . -101_444 N
O1a O2b 2.155(31) . 102_554 N
C1a O1a 1.155(8) . 1_555 N
C1a O1b 1.156(8) . 1_555 N
C1a O2a 2.10(6) . -101_444 N
O1b Cu 2.892(20) . 201_455 N
O1b O1a 2.308(11) . 1_555 N
O1b C1a 1.156(8) . 1_555 N
O1b O2a 2.21(4) . -101_444 N
O1b O2b 2.295(31) . -101_445 N
O2a O1a 2.58(5) . -101_444 N
O2a C1a 2.10(6) . -101_444 N
O2a O1b 2.21(4) . -101_444 N
O2a C2a 1.157(8) . 1_555 N
O2a O2b 2.313(9) . 1_555 N
C2a O2a 1.157(8) . 1_555 N
C2a O2b 1.156(5) . 1_555 N
O2b O1a 2.155(31) . 203_455 N
O2b O1b 2.295(31) . -101_445 N
O2b O2a 2.313(9) . 1_555 N
O2b C2a 1.156(5) . 1_555 N
O3a O3a 2.307(11) . -1_556 N
O3a C3a 1.153(5) . 1_555 N
C3a O3a 1.153(5) . 1_555 N
C3a O3a 1.153(5) . -1_556 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu O1 82.79(22) 1_555 . 103_554 N
O1 Cu O2 161.8(5) 1_555 . 202_554 N
O1 Cu O3 89.0(5) 1_555 . 1_555 N
O1 Cu O3 87.2(4) 1_555 . 202_555 N
O1 Cu O2 115.2(4) 103_554 . 202_554 N
O1 Cu O3 75.45(35) 103_554 . 1_555 N
O1 Cu O3 88.1(4) 103_554 . 202_555 N
O2 Cu O3 93.0(5) 202_554 . 1_555 N
O2 Cu O3 95.7(5) 202_554 . 202_555 N
O3 Cu O3 163.5(4) 1_555 . 202_555 N
Cu O1 Cu 83.9(4) 1_555 . 202_555 N
Cu O1 C1 141.5(11) 1_555 . 1_555 N
Cu O1 C1 123.3(9) 202_555 . 1_555 N
Cu O2 C1 115.2(9) 103_555 . 1_555 N
Cu O3 Cu 98.3(5) 1_555 . 103_554 N
Cu O3 C3 126.4(12) 1_555 . 1_555 N
Cu O3 C3 114.1(10) 103_554 . 1_555 N
O1 C1 O2 126.1(14) 1_555 . 1_555 N
O1 C1 C2 109.6(12) 1_555 . 1_555 N
O2 C1 C2 120.3(14) 1_555 . 1_555 N
C1 C2 C3 130.1(18) 1_555 . 1_555 N
C1 C2 C4 116.6(18) 1_555 . -201_555 N
C3 C2 C4 113.2(14) 1_555 . -201_555 N
O3 C3 C2 119.4(19) 1_555 . 1_555 N
O3 C3 C4 121.7(19) 1_555 . 1_555 N
C2 C3 C4 118.7(11) 1_555 . 1_555 N
C2 C4 C3 127.6(13) -201_555 . 1_555 N
C1a O1a O2b 136.6(20) 1_555 . 102_554 N
O1a C1a O1b 174.0(19) 1_555 . 1_555 N
O1a C1a O2a 101(5) 1_555 . -101_555 N
O1b C1a O2a 80(4) 1_555 . -101_555 N
C1a O2a C2a 133.2(32) -101_555 . 1_555 N
O2a C2a O2b 179(6) 1_555 . 1_555 N
O1a O2b C2a 107.1(23) 203_455 . 1_555 N
O3a C3a O3a 180.0 1_555 . -1_556 N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT341_954T_COPY_publ      
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0250 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      150
_diffrn_source                   ?
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_measurement_device_type  ?
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Cu 18.0 0.000 0.000 13.3380 3.58280 7.16760 0.24700 5.61580 11.3966 1.67350
64.8126 1.19100 International_Tables_Vol_C
O 94.869 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
C 92.435 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500
51.6512 0.21560 International_Tables_Vol_C
H 0.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081
57.7997 0.00304 International_Tables_Vol_C
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 0.95
_diffrn_radiation_wavelength     0.72959
_diffrn_radiation_type           ?
_pd_proc_ls_prof_R_factor        0.0442
_pd_proc_ls_prof_wR_factor       0.0597
_pd_proc_ls_prof_wR_expected     0.0556
_refine_ls_R_Fsqd_factor         0.05804

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 24 terms.
 Shifted Chebyshev function of 1st kind
      1:    155.671     2:   -82.7189     3:    35.9389     4:   -3.29598    
      5:    12.4401     6:   -15.8140     7:    15.4622     8:   -3.47978    
      9:   -1.19579    10:    3.97688    11:   -1.28627    12:  -0.482381    
     13:   -1.05131    14:    3.11656    15:   -4.86387    16:    6.77701    
     17:   -2.72224    18:  -0.569663    19:    2.71372    20:   -1.28573    
     21:    2.25780    22:  -0.693057    23:    1.59932    24:   -1.44108    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =    7.074 #2(GV)   =  -11.606 #3(GW)   =   -2.219
 #4(GP)   =    4.667 #5(LX)   =    0.819 #6(LY)   =   19.506
 #7(S/L)  =   0.0005 #8(H/L)  =   0.0005
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0000 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00005
_pd_proc_info_datetime           2014-05-09T11:20:40
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        2.0
_pd_meas_2theta_range_max        32.99
_pd_meas_2theta_range_inc        0.01
_pd_proc_2theta_range_min        1.98287
_pd_proc_2theta_range_max        32.97287
_pd_proc_2theta_range_inc        0.01

loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
422.1 0.0 993.83893 .
421.9 0.0 954.37097 .
410.4 0.0 916.76575 .
412.2 0.0 880.95264 .
417.1 0.0 846.86163 .
413.7 0.0 814.42596 .
398.2 0.0 783.58087 .
400.7 0.0 754.26355 .
392.0 0.0 726.41254 .
409.0 0.0 699.96967 .
390.3 0.0 674.87762 .
390.2 0.0 651.08099 .
388.4 0.0 628.52637 .
387.5 0.0 607.16241 .
384.3 0.0 586.93988 .
376.6 0.0 567.81030 .
373.8 0.0 549.72656 .
371.5 0.0 532.64417 .
367.2 0.0 516.51947 .
378.0 0.0 501.31036 .
379.1 0.0 486.97623 .
369.7 0.0 473.47849 .
355.3 0.0 460.77902 .
360.0 0.0 448.84149 .
361.4 0.0 437.63065 .
361.6 0.0 427.11267 .
352.5 0.0 417.25479 .
356.0 0.0 408.02551 .
349.6 0.0 399.39471 .
337.2 0.0 391.33298 .
357.4 0.0 383.81219 .
350.3 0.0 376.80518 .
351.4 0.0 370.28595 .
338.2 0.0 364.22925 .
342.4 0.0 358.61099 .
352.5 0.0 353.40817 .
341.5 0.0 348.59818 .
352.6 0.0 344.15967 .
345.7 0.0 340.07193 .
336.9 0.0 336.31540 .
347.0 0.0 332.87100 .
330.7 0.0 329.72043 .
334.7 0.0 326.84628 .
338.5 0.0 324.23181 .
336.5 0.0 321.86096 .
328.9 0.0 319.71832 .
335.8 0.0 317.78915 .
326.0 0.0 316.05942 .
332.1 0.0 314.51556 .
334.0 0.0 313.14478 .
337.5 0.0 311.93475 .
328.6 0.003044 310.87369 320.31467
324.6 0.003081 309.95038 319.65317
328.3 0.003046 309.15411 319.12973
323.8 0.003089 308.47467 318.73477
317.2 0.003153 307.90240 318.45935
322.6 0.003099 307.42798 318.29483
321.4 0.003112 307.04263 318.23325
325.2 0.003075 306.73798 318.26700
321.8 0.003108 306.50607 318.38913
315.1 0.003173 306.33939 318.59302
326.7 0.003061 306.23071 318.87250
319.1 0.003134 306.17334 319.22205
319.4 0.003131 306.16080 319.63635
313.5 0.003190 306.18704 320.11075
322.1 0.003104 306.24634 320.64093
315.3 0.003172 306.33331 321.22305
322.5 0.003100 306.44278 321.85367
320.1 0.003124 306.57004 322.52991
324.2 0.003085 306.71054 323.24924
322.9 0.003097 306.86005 324.00961
315.2 0.003173 307.01459 324.80951
322.1 0.003105 307.17047 325.64783
310.2 0.003223 307.32425 326.52408
316.7 0.003157 307.47266 327.43811
327.0 0.003058 307.61273 328.39053
322.0 0.003106 307.74167 329.38239
309.5 0.003231 307.85690 330.41541
318.3 0.003142 307.95602 331.49188
324.1 0.003086 308.03690 332.61502
317.0 0.003155 308.09750 333.78864
325.1 0.003076 308.13602 335.01743
332.7 0.003006 308.15073 336.30704
329.6 0.003034 308.14017 337.66418
334.0 0.002994 308.10303 339.09677
338.6 0.002953 308.03806 340.61398
344.9 0.002899 307.94421 342.22650
335.0 0.002985 307.82053 343.94669
347.1 0.002881 307.66623 345.78897
336.7 0.002970 307.48062 347.76996
329.5 0.003035 307.26315 349.90894
355.0 0.002817 307.01331 352.22815
345.8 0.002892 306.73074 354.75369
360.4 0.002775 306.41522 357.51581
356.6 0.002804 306.06653 360.54987
362.4 0.002760 305.68460 363.89743
371.4 0.002692 305.26941 367.60748
380.5 0.002628 304.82108 371.73804
381.3 0.002623 304.33969 376.35806
387.6 0.002580 303.82547 381.55023
393.1 0.002544 303.27872 387.41418
409.3 0.002443 302.69980 394.07080
413.5 0.002419 302.08905 401.66776
429.4 0.002329 301.44696 410.38730
437.1 0.002288 300.77402 420.45590
449.1 0.002227 300.07080 432.15817
469.5 0.002130 299.33780 445.85526
488.1 0.002049 298.57574 462.01129
507.3 0.001971 297.78525 481.23007
536.3 0.001865 296.96704 504.30872
557.1 0.001795 296.12180 532.31622
582.5 0.001717 295.25034 566.71222
628.1 0.001592 294.35336 609.52911
681.2 0.001468 293.43173 663.66180
746.9 0.001339 292.48630 733.33990
853.5 0.001172 291.51782 824.93713
1008.4 0.000992 290.52722 948.56317
1194.2 0.000837 289.51538 1122.76404
1588.8 0.000629 288.48312 1395.67090
2215.6 0.000451 287.43140 1936.35034
3952.0 0.0002530 286.36108 3302.41187
6985.1 0.0001432 285.27310 6804.08936
13945.5 0.0000717 284.16837 14145.12207
23719.7 0.0000422 283.04776 25288.47070
34868.9 0.0000287 281.91223 35544.24219
37171.7 0.0000269 280.76270 36309.45313
27361.7 0.0000365 279.60010 26758.78320
14582.6 0.0000686 278.42529 15351.41406
7127.0 0.0001403 277.23923 7467.00488
3595.3 0.0002781 276.04285 3573.72266
2106.8 0.000475 274.83698 2029.67493
1438.8 0.000695 273.62256 1427.20679
1106.4 0.000904 272.40045 1132.51184
897.2 0.001115 271.17157 947.57922
778.5 0.001285 269.93674 816.75433
676.9 0.001477 268.69687 719.63922
615.6 0.001625 267.45276 645.46124
563.7 0.001774 266.20529 587.49872
517.7 0.001931 264.95520 541.31189
486.3 0.002056 263.70337 503.87320
460.6 0.002171 262.45062 473.06363
440.7 0.002269 261.19763 447.36584
414.9 0.002410 259.94528 425.67163
394.9 0.002532 258.69421 407.15652
383.9 0.002605 257.44525 391.19760
374.2 0.002673 256.19907 377.31711
363.8 0.002749 254.95638 365.14401
351.9 0.002842 253.71786 354.38666
342.4 0.002920 252.48416 344.81329
330.2 0.003029 251.25600 336.23807
332.5 0.003008 250.03395 328.51044
314.1 0.003184 248.81865 321.50748
310.1 0.003224 247.61069 315.12811
303.6 0.003294 246.41066 309.28864
299.5 0.003339 245.21913 303.91916
293.4 0.003409 244.03662 298.96106
290.2 0.003446 242.86368 294.36490
279.9 0.00357 241.70082 290.08878
278.5 0.00359 240.54851 286.09680
286.4 0.003492 239.40723 282.35843
278.2 0.00359 238.27745 278.84723
277.5 0.00360 237.15961 275.54050
266.1 0.00376 236.05406 272.41833
264.1 0.00379 234.96129 269.46365
256.2 0.00390 233.88165 266.66144
255.0 0.00392 232.81548 263.99838
262.2 0.00381 231.76317 262.16531
252.1 0.00397 230.72505 259.75467
256.9 0.00389 229.70140 257.45248
240.9 0.00415 228.69250 255.25075
246.3 0.00406 227.69870 253.14236
247.2 0.00405 226.72020 251.12093
251.7 0.00397 225.75726 249.18074
243.3 0.00411 224.81013 247.31671
238.6 0.00419 223.87901 245.52423
233.6 0.00428 222.96410 243.79916
236.8 0.00422 222.06557 242.13779
237.2 0.00422 221.18359 240.53670
241.9 0.00413 220.31831 238.99284
238.1 0.00420 219.46991 237.50343
229.7 0.00435 218.63844 236.06589
235.8 0.00424 217.82407 234.67792
232.0 0.00431 217.02686 233.33739
231.5 0.00432 216.24687 232.04231
224.7 0.00445 215.48421 230.79091
226.8 0.00441 214.73894 229.58156
225.6 0.00443 214.01105 228.41266
227.8 0.00439 213.30057 227.28281
232.2 0.00431 212.60756 226.19070
222.3 0.00450 211.93201 225.13513
219.0 0.00457 211.27388 224.11490
217.1 0.00461 210.63318 223.12897
218.6 0.00458 210.00987 222.17630
218.6 0.00457 209.40390 221.25597
213.4 0.00469 208.81523 220.36708
222.4 0.00450 208.24379 219.50879
221.3 0.00452 207.68950 218.68028
217.0 0.00461 207.15227 217.88080
221.7 0.00451 206.63203 217.10965
216.8 0.00461 206.12868 216.36613
217.7 0.00459 205.64207 215.64957
214.5 0.00466 205.17210 214.95932
216.3 0.00462 204.71867 214.29483
208.7 0.00479 204.28159 213.65544
221.2 0.00452 203.86079 213.04068
216.7 0.00461 203.45605 212.44995
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314.0 0.003184 184.93320 347.19635
398.2 0.002512 185.08243 432.41827
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545.6 0.001833 186.46751 607.73389
384.7 0.002599 186.62575 432.84900
313.6 0.003189 186.78477 354.02304
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296.8 0.003369 188.74832 297.82672
322.9 0.003097 188.91597 324.53180
374.9 0.002667 189.08415 373.05722
485.1 0.002061 189.25285 475.83716
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1248.6 0.000801 190.44633 1258.05920
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501.3 0.001995 190.79080 508.97482
386.5 0.002588 190.96353 383.93085
328.5 0.003044 191.13655 325.24866
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218.8 0.00457 192.87880 217.53360
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179.9 0.00556 155.91685 165.70839
183.5 0.00545 155.80840 165.30347
175.9 0.00569 155.70082 164.78091
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170.7 0.00586 155.38353 163.05751
172.8 0.00579 155.27951 162.63100
171.6 0.00583 155.17638 162.26477
169.1 0.00592 155.07410 161.94096
171.2 0.00584 154.97269 161.64893
169.8 0.00589 154.87210 161.38333
170.6 0.00586 154.77235 161.14117
167.7 0.00596 154.67345 160.92084
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166.8 0.00600 152.85568 163.23584
166.6 0.00600 152.77209 164.57265
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173.4 0.00577 152.60681 170.18497
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194.5 0.00514 152.44395 187.89389
207.9 0.00481 152.36340 204.97360
225.5 0.00444 152.28343 224.51337
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228.8 0.00437 152.12517 224.60855
202.6 0.00494 152.04686 209.09430
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199.3 0.00502 151.89183 198.46173
210.5 0.00475 151.81509 209.92003
238.9 0.00419 151.73886 236.88243
286.1 0.003496 151.66312 281.16055
337.9 0.002960 151.58784 333.40469
339.7 0.002944 151.51306 358.09506
309.0 0.003236 151.43874 327.47571
260.3 0.00384 151.36485 274.49680
219.8 0.00455 151.29141 231.24458
196.5 0.00509 151.21838 204.34982
185.2 0.00540 151.14580 190.22983
178.4 0.00561 151.07361 183.75761
182.5 0.00548 151.00182 181.45699
178.5 0.00560 150.93040 181.83464
179.5 0.00557 150.85938 184.85616
192.5 0.00520 150.78871 191.95256
208.9 0.00479 150.71841 206.76241
238.9 0.00419 150.64844 235.47557
290.2 0.003446 150.57880 284.40723
355.2 0.002816 150.50949 352.06100
384.5 0.002601 150.44049 410.70010
378.1 0.002645 150.37180 405.82654
323.6 0.003090 150.30338 343.13965
257.2 0.00389 150.23526 277.18506
215.9 0.00463 150.16739 231.15558
194.0 0.00515 150.09979 204.89088
181.9 0.00550 150.03242 191.93893
176.7 0.00566 149.96532 186.70203
178.3 0.00561 149.89842 186.72203
186.6 0.00536 149.83176 192.60298
206.8 0.00484 149.76529 207.18672
242.9 0.00412 149.69902 233.50656
273.7 0.00365 149.63292 269.89975
288.6 0.003465 149.56700 299.37000
278.1 0.00360 149.50127 292.40811
239.3 0.00418 149.43567 255.98822
212.2 0.00471 149.37022 219.56042
185.2 0.00540 149.30490 194.29312
169.1 0.00591 149.23970 179.49734
162.2 0.00616 149.17462 171.45320
159.7 0.00626 149.10965 166.94757
159.5 0.00627 149.04477 164.11832
158.4 0.00631 148.97997 162.19951
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152.9 0.00654 148.85057 159.74915
154.6 0.00647 148.78596 158.96574
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156.8 0.00638 148.39888 156.86542
153.5 0.00652 148.33438 156.78865
153.5 0.00651 148.26985 156.76855
156.4 0.00639 148.20529 156.80316
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155.6 0.00643 148.07603 157.03850
153.4 0.00652 148.01132 157.24457
155.9 0.00642 147.94655 157.51631
154.9 0.00646 147.88168 157.86154
154.8 0.00646 147.81674 158.29103
156.8 0.00638 147.75171 158.81911
151.5 0.00660 147.68655 159.46487
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160.3 0.00624 147.42477 163.92630
163.0 0.00614 147.35899 165.74025
166.5 0.00601 147.29305 168.11806
163.1 0.00613 147.22694 171.21883
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179.9 0.00556 147.09422 181.08778
187.0 0.00535 147.02757 189.63403
200.5 0.00499 146.96075 203.75684
239.0 0.00418 146.89371 229.32445
295.6 0.003383 146.82648 276.04172
409.0 0.002445 146.75902 353.96841
519.6 0.001925 146.69135 461.92798
597.5 0.001674 146.62343 558.68628
573.0 0.001745 146.55528 557.53394
468.5 0.002134 146.48689 461.00464
357.9 0.002794 146.41824 355.92551
277.6 0.00360 146.34935 281.59366
231.7 0.00432 146.28018 238.63058
210.6 0.00475 146.21074 217.02551
204.9 0.00488 146.14102 207.52980
203.4 0.00492 146.07103 204.99783
210.3 0.00475 146.00073 208.01006
227.9 0.00439 145.93015 218.28970
256.4 0.00390 145.85925 241.06998
320.7 0.003118 145.78806 284.73602
423.1 0.002363 145.71654 356.46634
528.9 0.001891 145.64470 449.50308
576.8 0.001734 145.57254 515.87909
524.9 0.001905 145.50005 488.24905
426.4 0.002345 145.42722 398.61066
333.1 0.003002 145.35405 315.38803
265.7 0.00376 145.28053 260.15286
228.5 0.00438 145.20667 229.60472
213.5 0.00468 145.13243 214.95903
199.7 0.00501 145.05785 209.30707
196.7 0.00508 144.98288 209.27763
201.7 0.00496 144.90756 214.11514
213.6 0.00468 144.83185 224.27299
220.5 0.00453 144.75577 239.90089
238.1 0.00420 144.67929 258.32571
247.0 0.00405 144.60245 273.39005
262.6 0.00381 144.52519 287.52649
296.1 0.003377 144.44754 314.69305
366.6 0.002728 144.36949 373.01843
519.2 0.001926 144.29105 489.60086
803.0 0.001245 144.21219 699.83624
1206.6 0.000829 144.13292 1023.41974
1582.1 0.000632 144.05324 1397.56873
1643.1 0.000609 143.97314 1570.80859
1405.4 0.000712 143.89262 1350.32007
985.6 0.001015 143.81168 971.11871
631.5 0.001584 143.73032 659.38904
415.6 0.002406 143.64851 459.86469
308.3 0.003243 143.56630 347.29385
249.9 0.00400 143.48363 285.99292
221.3 0.00452 143.40053 250.57886
200.7 0.00498 143.31699 227.86990
189.6 0.00527 143.23303 212.01241
179.4 0.00557 143.14861 200.35983
179.1 0.00558 143.06375 191.52818
168.1 0.00595 142.97844 184.68433
164.9 0.00606 142.89268 179.28761
162.1 0.00617 142.80649 174.97383
160.0 0.00625 142.71983 171.49263
156.1 0.00641 142.63272 168.67137
158.2 0.00632 142.54518 166.39307
159.5 0.00627 142.45717 164.58606
154.1 0.00649 142.36870 163.22598
156.0 0.00641 142.27979 162.36307
160.6 0.00623 142.19040 162.19670
164.3 0.00609 142.10059 163.18837
180.3 0.00555 142.01030 166.08813
200.9 0.00498 141.91956 171.61964
224.7 0.00445 141.82835 179.45949
237.6 0.00421 141.73669 185.79306
225.4 0.00444 141.64458 183.85445
208.9 0.00479 141.55202 175.10295
179.1 0.00558 141.45898 166.30066
164.9 0.00606 141.36551 160.04431
159.1 0.00629 141.27156 156.19472
149.7 0.00668 141.17717 153.95583
149.6 0.00669 141.08232 152.56415
148.0 0.00676 140.98703 151.61887
145.0 0.00690 140.89127 150.92064
139.7 0.00716 140.79506 150.38115
141.8 0.00705 140.69841 149.95744
143.3 0.00698 140.60132 149.62584
142.3 0.00703 140.50375 149.37247
140.3 0.00713 140.40576 149.18971
140.2 0.00714 140.30731 149.07440
142.8 0.00700 140.20844 149.02711
143.7 0.00696 140.10912 149.05176
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140.8 0.00710 139.90915 149.35252
143.1 0.00699 139.80852 149.65860
144.8 0.00691 139.70744 150.09991
143.8 0.00696 139.60596 150.71312
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141.0 0.00709 139.40167 152.69064
147.1 0.00680 139.29890 154.25050
151.0 0.00662 139.19571 156.41916
148.5 0.00673 139.09210 159.53647
158.2 0.00632 138.98808 164.31203
165.9 0.00603 138.88365 172.33434
188.8 0.00530 138.77881 186.85841
229.8 0.00435 138.67355 213.07188
304.3 0.003286 138.56792 256.24826
372.5 0.002684 138.46187 315.34747
412.7 0.002423 138.35542 366.86206
388.5 0.002574 138.24860 363.45660
330.6 0.003025 138.14137 308.99255
255.8 0.00391 138.03378 250.77884
208.4 0.00480 137.92580 209.22699
177.9 0.00562 137.81744 184.24626
157.5 0.00635 137.70871 170.39238
154.1 0.00649 137.59962 162.63014
151.7 0.00659 137.49016 157.90482
144.4 0.00693 137.38034 154.74545
145.2 0.00688 137.27017 152.49608
144.6 0.00692 137.15964 150.83929
145.3 0.00688 137.04878 149.59663
145.0 0.00690 136.93756 148.65668
141.3 0.00708 136.82602 147.94661
139.2 0.00719 136.71413 147.41731
140.9 0.00710 136.60193 147.03616
143.2 0.00698 136.48940 146.78114
139.8 0.00715 136.37654 146.63843
137.9 0.00725 136.26338 146.60037
143.2 0.00698 136.14992 146.66426
143.1 0.00699 136.03613 146.83221
142.7 0.00701 135.92207 147.11070
144.7 0.00691 135.80771 147.51106
140.3 0.00713 135.69307 148.05046
145.3 0.00688 135.57813 148.75311
145.8 0.00686 135.46292 149.65259
144.9 0.00690 135.34743 150.79494
149.0 0.00671 135.23170 152.24385
145.6 0.00687 135.11569 154.08852
155.9 0.00642 134.99944 156.45522
154.8 0.00646 134.88292 159.52797
158.2 0.00632 134.76617 163.58154
166.2 0.00602 134.64920 169.04814
173.5 0.00576 134.53197 176.67659
185.5 0.00539 134.41454 187.96588
210.3 0.00475 134.29686 206.22371
252.0 0.00397 134.17899 238.37743
340.0 0.002941 134.06090 296.23584
487.1 0.002053 133.94263 393.68976
673.8 0.001484 133.82414 534.70477
799.1 0.001251 133.70547 679.63007
800.6 0.001249 133.58661 713.92914
673.2 0.001485 133.46759 598.38232
495.1 0.002020 133.34837 446.51227
357.9 0.002794 133.22900 330.36081
267.1 0.00374 133.10948 257.83051
220.5 0.00453 132.98982 216.83942
193.8 0.00516 132.87000 194.01601
177.1 0.00565 132.75003 180.47087
166.4 0.00601 132.62994 171.67810
164.3 0.00609 132.50972 165.60384
160.0 0.00625 132.38937 161.31113
163.6 0.00611 132.26891 158.30637
155.9 0.00641 132.14835 156.26112
156.0 0.00641 132.02769 154.82906
157.4 0.00635 131.90694 153.68170
156.6 0.00638 131.78610 152.88792
151.5 0.00660 131.66516 152.70804
150.0 0.00667 131.54416 153.34526
151.7 0.00659 131.42310 155.12506
150.2 0.00666 131.30196 158.82153
154.6 0.00647 131.18077 166.03772
166.6 0.00600 131.05952 179.43655
195.3 0.00512 130.93828 201.86536
214.8 0.00466 130.81696 233.26843
233.9 0.00428 130.69562 262.35574
228.1 0.00438 130.57425 263.67941
211.4 0.00473 130.45287 236.05510
193.8 0.00516 130.33148 205.20303
189.4 0.00528 130.21010 183.95674
189.7 0.00527 130.08871 173.45218
205.1 0.00488 129.96736 171.48210
225.7 0.00443 129.84599 174.84047
241.1 0.00415 129.72467 177.89798
228.1 0.00438 129.60336 174.02692
206.8 0.00483 129.48210 165.22562
184.1 0.00543 129.36087 157.16277
167.3 0.00598 129.23970 151.65857
159.4 0.00627 129.11859 148.40919
156.2 0.00640 128.99756 146.66426
152.9 0.00654 128.87657 145.80722
150.7 0.00664 128.75568 145.52165
151.0 0.00662 128.63484 145.56573
142.2 0.00703 128.51411 145.91806
145.5 0.00688 128.39348 146.56787
148.1 0.00675 128.27295 147.53627
152.0 0.00658 128.15251 148.87570
151.5 0.00660 128.03221 150.61244
150.2 0.00666 127.91203 152.98610
159.1 0.00629 127.79197 156.15594
158.4 0.00631 127.67204 160.48738
171.7 0.00582 127.55225 166.69496
176.9 0.00565 127.43261 176.29616
199.9 0.00500 127.31312 192.32840
243.2 0.00411 127.19378 219.74820
317.1 0.003154 127.07462 264.13550
394.1 0.002538 126.95564 326.52628
460.4 0.002172 126.83681 388.84366
450.1 0.002222 126.71818 404.99036
401.2 0.002493 126.59972 368.20572
349.3 0.002863 126.48147 329.58148
337.1 0.002967 126.36341 322.82309
376.7 0.002655 126.24556 361.15909
467.9 0.002137 126.12792 448.99341
574.3 0.001741 126.01053 571.05585
604.2 0.001655 125.89333 655.39673
558.4 0.001791 125.77636 609.66162
446.4 0.002240 125.65963 481.44574
350.2 0.002855 125.54314 363.65695
269.9 0.00370 125.42689 284.09695
230.9 0.00433 125.31089 237.79842
203.2 0.00492 125.19516 213.27461
194.8 0.00513 125.07968 201.49898
192.8 0.00519 124.96449 198.03679
198.3 0.00504 124.84956 202.23685
212.7 0.00470 124.73490 215.83034
239.2 0.00418 124.62052 240.71599
265.9 0.00376 124.50644 274.25519
275.8 0.00363 124.39265 299.22333
266.6 0.00375 124.27914 292.28751
250.4 0.00399 124.16595 265.50052
229.7 0.00435 124.05309 243.71332
221.9 0.00451 123.94052 235.89445
231.4 0.00432 123.82827 244.18408
266.5 0.00375 123.71634 272.75555
341.4 0.002929 123.60474 332.25061
485.0 0.002062 123.49346 439.39273
691.2 0.001447 123.38253 607.05261
855.5 0.001169 123.27193 813.15125
907.9 0.001101 123.16171 938.10370
814.3 0.001228 123.05180 849.46783
645.9 0.001548 122.94226 643.87811
463.5 0.002157 122.83307 461.60901
331.9 0.003013 122.72424 339.22766
252.1 0.00397 122.61578 266.76788
218.0 0.00459 122.50769 225.76642
189.2 0.00529 122.39998 201.80965
178.2 0.00561 122.29264 186.65781
173.4 0.00577 122.18571 176.36382
163.4 0.00612 122.07913 169.10168
162.4 0.00616 121.97295 163.95795
161.0 0.00621 121.86716 160.44708
156.1 0.00641 121.76177 158.35719
157.8 0.00634 121.65678 157.76154
160.0 0.00625 121.55219 159.17287
166.6 0.00600 121.44801 163.77515
167.5 0.00597 121.34426 173.42903
182.2 0.00549 121.24091 189.89394
195.4 0.00512 121.13796 212.15448
197.2 0.00507 121.03544 229.79172
196.1 0.00510 120.93333 225.34053
182.1 0.00549 120.83167 203.53726
172.7 0.00579 120.73042 181.97504
163.7 0.00611 120.62960 167.16229
158.8 0.00630 120.52924 158.69914
155.9 0.00642 120.42929 154.63565
152.0 0.00658 120.32978 153.31041
155.3 0.00644 120.23071 153.80669
157.9 0.00633 120.13209 155.83701
165.1 0.00606 120.03391 159.55664
167.1 0.00598 119.93618 165.57655
179.0 0.00559 119.83891 175.33626
196.7 0.00508 119.74207 191.99905
232.8 0.00430 119.64572 221.63654
299.3 0.003341 119.54980 273.36911
413.4 0.002419 119.45435 355.83096
518.4 0.001929 119.35934 464.76706
589.9 0.001695 119.26481 551.72797
556.5 0.001797 119.17074 533.70740
462.3 0.002163 119.07713 431.08731
336.7 0.002970 118.98399 327.45654
267.6 0.00374 118.89133 254.33423
209.5 0.00477 118.79913 209.86882
181.3 0.00552 118.70740 184.56819
168.7 0.00593 118.61613 170.05682
153.9 0.00650 118.52534 161.19389
155.0 0.00645 118.43503 155.41090
152.4 0.00656 118.34519 151.51547
149.1 0.00671 118.25583 148.92560
151.6 0.00660 118.16696 147.33167
148.5 0.00673 118.07855 146.57141
151.5 0.00660 117.99062 146.58490
150.4 0.00665 117.90317 147.40649
152.3 0.00657 117.81620 149.19699
155.1 0.00645 117.72971 152.35060
158.1 0.00633 117.64370 157.76328
167.2 0.00598 117.55817 167.09894
185.4 0.00539 117.47312 182.87549
218.8 0.00457 117.38857 207.79457
244.6 0.00409 117.30448 241.57854
259.3 0.00386 117.22088 272.82657
261.1 0.00383 117.13776 279.29340
249.7 0.00401 117.05512 265.72830
260.0 0.00385 116.97296 260.35858
296.4 0.003374 116.89129 280.90295
368.4 0.002714 116.81009 335.91370
470.6 0.002125 116.72939 424.31534
533.9 0.001873 116.64915 514.04791
528.1 0.001893 116.56940 526.49329
450.7 0.002219 116.49013 443.79300
354.9 0.002817 116.41133 342.18497
266.4 0.00375 116.33302 265.42410
215.9 0.00463 116.25517 216.99893
186.4 0.00537 116.17781 188.92259
169.0 0.00592 116.10094 172.85651
158.4 0.00631 116.02452 163.21712
151.8 0.00659 115.94859 157.05205
153.3 0.00652 115.87312 152.94489
146.8 0.00681 115.79813 150.25226
146.7 0.00682 115.72361 148.59407
146.2 0.00684 115.64955 147.76460
147.6 0.00677 115.57597 147.66925
143.7 0.00696 115.50285 148.22646
146.7 0.00682 115.43021 149.46284
150.2 0.00666 115.35803 151.44084
153.4 0.00652 115.28631 154.28386
151.7 0.00659 115.21504 158.19398
153.8 0.00650 115.14424 163.48640
163.7 0.00611 115.07390 170.65262
172.9 0.00578 115.00401 180.49387
182.1 0.00549 114.93458 194.44818
201.2 0.00497 114.86562 215.39279
234.1 0.00427 114.79709 249.38602
293.8 0.003404 114.72900 307.79984
414.9 0.002410 114.66138 407.81168
585.0 0.001709 114.59419 566.46509
787.5 0.001270 114.52745 778.74927
905.1 0.001105 114.46114 958.33148
881.0 0.001135 114.39529 941.77185
718.8 0.001391 114.32987 750.62720
535.2 0.001868 114.26488 549.36261
384.0 0.002604 114.20033 407.00787
293.6 0.003406 114.13620 323.09924
256.0 0.00391 114.07249 281.25430
243.4 0.00411 114.00922 268.18906
258.2 0.00387 113.94637 279.50656
297.5 0.003361 113.88394 319.30371
374.8 0.002668 113.82193 395.32474
474.9 0.002106 113.76035 507.09177
542.5 0.001843 113.69917 614.44037
542.6 0.001843 113.63839 621.88239
460.0 0.002174 113.57803 515.87555
369.5 0.002707 113.51807 390.77750
280.5 0.00356 113.45851 297.07938
224.2 0.00446 113.39935 237.78741
190.6 0.00525 113.34059 203.19165
181.0 0.00553 113.28223 183.58881
185.7 0.00538 113.22426 172.65891
199.5 0.00501 113.16667 166.98914
201.0 0.00497 113.10947 163.96388
200.8 0.00498 113.05265 159.96233
188.6 0.00530 112.99622 153.26030
168.7 0.00593 112.94016 146.24081
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146.8 0.00681 112.82915 136.53589
133.5 0.00749 112.77421 133.59393
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128.5 0.00778 112.61153 128.33200
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123.9 0.00807 112.45206 125.35818
123.7 0.00808 112.39960 124.62926
126.8 0.00788 112.34749 123.99408
125.9 0.00794 112.29571 123.43818
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162.2 0.00616 110.58870 173.12614
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236.9 0.00422 110.50631 233.65500
336.8 0.002969 110.46545 297.63956
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619.3 0.001615 110.38431 523.29156
685.0 0.001460 110.34405 616.88354
643.9 0.001553 110.30399 586.48340
527.5 0.001896 110.26411 466.27615
388.0 0.002577 110.22443 349.11899
278.6 0.00359 110.18494 266.85770
211.6 0.00473 110.14565 216.23251
173.9 0.00575 110.10653 186.75011
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167.1 0.00599 109.50335 182.40456
186.6 0.00536 109.46694 206.39291
237.5 0.00421 109.43066 247.22208
330.0 0.003030 109.39452 316.10962
462.0 0.002164 109.35852 424.05304
596.5 0.001676 109.32264 566.96844
671.7 0.001489 109.28690 685.24335
647.1 0.001545 109.25127 670.48755
539.7 0.001853 109.21577 540.27203
413.7 0.002417 109.18040 404.33545
303.3 0.003297 109.14514 308.33542
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199.3 0.00502 109.07497 221.69897
175.7 0.00569 109.04006 203.67206
167.7 0.00596 109.00526 186.36575
153.9 0.00650 108.97057 169.59776
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125.8 0.00795 108.59579 122.25343
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123.4 0.00810 108.52888 120.76871
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123.1 0.00812 108.16702 117.96928
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125.7 0.00795 108.07001 118.25229
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153.8 0.00650 107.71996 132.96956
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147.9 0.00676 107.43993 145.39821
153.0 0.00653 107.40916 155.86800
171.5 0.00583 107.37846 173.13307
208.5 0.00480 107.34783 200.86833
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284.3 0.00352 107.28680 287.91272
301.7 0.003315 107.25638 311.74356
286.7 0.003488 107.22603 289.63083
253.8 0.00394 107.19576 247.17647
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193.9 0.00516 107.13542 190.73862
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183.8 0.00544 107.07537 181.27470
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243.8 0.00410 106.98586 239.89160
278.5 0.00359 106.95618 278.68042
297.4 0.003363 106.92656 306.74536
293.7 0.003405 106.89702 303.14658
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273.4 0.00366 106.83818 275.08420
291.4 0.003432 106.80888 288.82471
343.6 0.002911 106.77966 334.03766
476.9 0.002097 106.75050 423.26212
687.7 0.001454 106.72144 569.97003
911.2 0.001098 106.69246 769.68201
1037.5 0.000964 106.66356 944.39386
1025.8 0.000975 106.63474 939.18988
872.8 0.001146 106.60600 761.06000
663.4 0.001507 106.57735 566.13092
497.1 0.002012 106.54880 427.42966
376.0 0.002659 106.52032 346.76276
322.6 0.003099 106.49193 305.25812
281.7 0.00355 106.46363 277.34415
246.8 0.00405 106.43542 246.34927
224.4 0.00446 106.40730 216.46765
191.6 0.00522 106.37927 193.60387
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162.8 0.00614 106.32351 167.55083
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153.4 0.00652 106.13136 159.02757
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194.1 0.00515 106.05054 192.34886
232.7 0.00430 106.02381 220.14322
294.0 0.003401 105.99719 263.08704
370.7 0.002698 105.97068 321.05389
432.8 0.002311 105.94428 382.01764
462.0 0.002164 105.91800 416.33710
447.5 0.002235 105.89182 397.80389
411.3 0.002431 105.86576 357.31116
379.1 0.002638 105.83982 338.04156
388.3 0.002575 105.81399 355.09781
420.6 0.002378 105.78828 403.84232
444.4 0.002250 105.76269 451.03638
435.3 0.002297 105.73722 439.58875
382.9 0.002612 105.71187 372.86102
313.3 0.003192 105.68665 303.54327
251.9 0.00397 105.66155 255.12837
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207.5 0.00482 105.61173 218.65240
203.5 0.00491 105.58701 224.31476
215.8 0.00463 105.56242 245.87334
246.8 0.00405 105.53796 285.32748
282.5 0.00354 105.51364 339.13962
308.1 0.003246 105.48945 382.14090
307.1 0.003256 105.46539 376.18600
286.8 0.003487 105.44147 334.65005
267.8 0.00373 105.41768 299.39734
263.6 0.00379 105.39404 289.33038
303.3 0.003297 105.37052 310.26004
381.0 0.002625 105.34715 365.75864
478.0 0.002092 105.32393 453.34695
580.0 0.001724 105.30084 550.98853
637.0 0.001570 105.27790 611.26672
607.6 0.001646 105.25511 576.33765
511.1 0.001957 105.23246 466.33902
398.3 0.002510 105.20996 356.60474
296.1 0.003378 105.18761 277.57318
222.6 0.00449 105.16540 227.16359
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164.1 0.00610 105.12144 177.40993
153.4 0.00652 105.09969 165.12265
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155.5 0.00643 104.75404 164.25673
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209.1 0.00478 104.69794 224.51158
251.9 0.00397 104.67957 273.32758
326.1 0.003067 104.66136 349.05530
409.6 0.002441 104.64333 451.81268
481.4 0.002077 104.62546 547.45099
493.3 0.002027 104.60776 558.02917
450.6 0.002219 104.59023 474.25735
369.9 0.002704 104.57287 373.55746
296.8 0.003369 104.55567 298.26703
243.3 0.00411 104.53865 251.36827
214.4 0.00466 104.52179 225.45589
201.4 0.00497 104.50510 213.17003
194.4 0.00514 104.48859 209.65446
194.6 0.00514 104.47224 212.54277
204.5 0.00489 104.45606 221.28566
217.9 0.00459 104.44005 236.76086
244.0 0.00410 104.42421 261.55978
288.6 0.003464 104.40854 301.11621
367.0 0.002724 104.39303 365.54666
504.2 0.001983 104.37769 471.19455
727.2 0.001375 104.36252 638.96820
994.4 0.001006 104.34752 880.55640
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1416.6 0.000706 104.30351 1350.05029
1264.7 0.000791 104.28917 1145.68799
992.2 0.001008 104.27499 866.83447
740.0 0.001351 104.26099 646.08032
546.0 0.001832 104.24714 510.29672
425.6 0.002350 104.23345 439.41153
360.9 0.002771 104.21993 396.98764
310.5 0.003221 104.20657 349.05399
266.5 0.00375 104.19337 296.28513
229.9 0.00435 104.18033 252.86835
202.7 0.00493 104.16744 222.06996
182.1 0.00549 104.15472 201.46220
170.0 0.00588 104.14214 188.00423
166.7 0.00600 104.12972 179.38919
160.0 0.00625 104.11746 174.22377
158.1 0.00633 104.10535 171.86420
156.3 0.00640 104.09340 172.24593
158.9 0.00629 104.08159 175.90331
170.3 0.00587 104.06992 184.26595
190.6 0.00525 104.05841 200.18411
225.0 0.00444 104.04705 228.32959
293.0 0.003413 104.03582 274.61923
370.8 0.002697 104.02474 342.38361
443.6 0.002254 104.01380 418.33133
476.9 0.002097 104.00301 455.98520
465.7 0.002147 103.99234 425.12943
406.1 0.002463 103.98182 356.56000
342.1 0.002923 103.97143 286.27277
266.8 0.00375 103.96117 232.60159
212.5 0.00471 103.95104 197.26672
175.9 0.00569 103.94104 175.34895
157.2 0.00636 103.93117 161.88881
143.8 0.00695 103.92142 153.49487
139.8 0.00716 103.91180 148.24924
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136.8 0.00731 103.88363 144.73076
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149.7 0.00668 103.86543 155.03506
163.7 0.00611 103.85649 167.21776
181.6 0.00551 103.84766 185.30890
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207.6 0.00482 103.83031 214.54642
203.9 0.00490 103.82178 205.16707
194.1 0.00515 103.81335 190.26945
184.3 0.00543 103.80502 181.94923
179.2 0.00558 103.79678 184.44228
192.5 0.00519 103.78862 199.97047
220.8 0.00453 103.78056 230.66470
264.9 0.00377 103.77257 275.10028
289.3 0.003456 103.76466 316.06952
290.7 0.003440 103.75684 317.09000
267.0 0.00375 103.74908 275.11105
233.7 0.00428 103.74139 225.84355
192.0 0.00521 103.73378 188.31537
158.6 0.00630 103.72623 163.63304
142.9 0.00700 103.71874 148.24837
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118.7 0.00842 103.59777 117.18643
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123.4 0.00810 103.58388 120.08475
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187.8 0.00532 103.54190 172.55716
186.6 0.00536 103.53482 168.95848
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123.9 0.00807 103.47658 121.76487
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157.2 0.00636 103.43018 156.28880
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179.9 0.00556 103.41402 187.82967
184.7 0.00541 103.40579 189.60060
182.9 0.00547 103.39746 183.03181
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195.3 0.00512 103.38046 189.56549
224.1 0.00446 103.37179 212.72580
263.0 0.00380 103.36300 250.00027
299.6 0.003338 103.35407 289.23154
311.8 0.003207 103.34502 298.56845
297.7 0.003360 103.33585 265.81842
252.8 0.00396 103.32652 220.60548
207.5 0.00482 103.31705 184.35521
175.2 0.00571 103.30744 160.00626
153.1 0.00653 103.29768 144.68826
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129.4 0.00773 103.13026 118.08868
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128.8 0.00776 103.00729 121.31394
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124.6 0.00802 102.97729 123.60276
123.9 0.00807 102.96191 126.12099
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131.1 0.00763 102.93036 135.40199
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152.7 0.00655 102.89773 157.45642
173.4 0.00577 102.88100 179.13960
221.8 0.00451 102.86399 212.73962
282.6 0.00354 102.84669 259.70706
323.3 0.003093 102.82912 309.17044
344.8 0.002900 102.81126 330.71469
334.3 0.002991 102.79310 309.51190
293.9 0.003403 102.77464 264.71234
245.2 0.00408 102.75589 219.07631
200.1 0.00500 102.73684 184.56857
168.4 0.00594 102.71748 161.87991
149.1 0.00671 102.69781 147.77151
139.8 0.00715 102.67783 139.12439
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127.8 0.00783 102.63692 130.69691
122.9 0.00813 102.61600 129.13640
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127.4 0.00785 102.55127 134.39565
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152.7 0.00655 102.50648 151.10625
160.0 0.00625 102.48358 161.54860
162.6 0.00615 102.46034 164.91040
162.0 0.00617 102.43678 157.97072
153.7 0.00651 102.41286 147.91000
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130.1 0.00768 102.31375 136.15590
131.4 0.00761 102.28810 139.90819
136.1 0.00735 102.26210 146.87297
146.8 0.00681 102.23574 158.69626
157.1 0.00637 102.20904 178.00609
188.2 0.00531 102.18196 207.83046
228.7 0.00437 102.15453 248.62743
257.4 0.00388 102.12675 288.60059
270.3 0.00370 102.09859 298.27017
259.3 0.00386 102.07008 269.90146
247.6 0.00404 102.04120 232.56602
204.8 0.00488 102.01196 205.92203
184.3 0.00543 101.98235 193.65076
176.7 0.00566 101.95237 195.39532
181.7 0.00550 101.92203 211.52971
203.2 0.00492 101.89131 243.16833
229.6 0.00435 101.86023 287.30307
255.6 0.00391 101.82877 323.60947
265.8 0.00376 101.79695 318.34360
247.8 0.00404 101.76476 276.61926
221.4 0.00452 101.73219 232.88664
196.0 0.00510 101.69926 203.14189
178.8 0.00559 101.66595 188.61824
179.8 0.00556 101.63227 187.16400
188.0 0.00532 101.59822 195.50655
198.3 0.00504 101.56380 205.42058
205.0 0.00488 101.52901 202.51886
193.7 0.00516 101.49384 184.58963
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156.2 0.00640 101.42240 148.41058
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122.9 0.00814 101.31247 126.53193
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143.8 0.00695 100.84000 145.34979
165.7 0.00603 100.79830 160.80959
187.4 0.00534 100.75627 182.65526
216.9 0.00461 100.71389 207.41980
234.6 0.00426 100.67117 225.03146
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202.7 0.00493 100.54095 190.04846
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261.9 0.00382 99.69958 258.92883
310.6 0.003220 99.65005 307.60147
334.8 0.002987 99.60028 335.48697
330.9 0.003022 99.55024 325.72784
305.7 0.003271 99.49994 284.80170
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224.7 0.00445 97.17429 213.99304
257.8 0.00388 97.11856 244.04187
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199.7 0.00501 96.02161 231.98834
242.6 0.00412 95.96827 285.87442
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304.2 0.003288 95.86223 372.92328
299.6 0.003338 95.80953 344.29291
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232.5 0.00430 95.70485 232.61009
195.5 0.00511 95.65287 196.53877
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150.7 0.00663 95.54970 156.72659
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111.7 0.00896 94.45812 101.94743
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156.5 0.00639 93.41077 150.75923
164.5 0.00608 93.38515 155.44444
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204.1 0.00490 93.33591 180.83842
235.6 0.00424 93.31229 207.73531
263.1 0.00380 93.28936 238.43033
285.6 0.003501 93.26710 252.33316
277.7 0.00360 93.24553 234.78598
251.5 0.00398 93.22465 201.75105
215.9 0.00463 93.20447 171.88133
184.4 0.00542 93.18498 150.49101
159.5 0.00627 93.16620 136.47244
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123.4 0.00810 93.08301 114.65680
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123.1 0.00812 93.05479 114.01908
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119.7 0.00835 93.01797 118.05668
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123.2 0.00812 92.99712 126.33904
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151.7 0.00659 92.97145 163.91924
171.9 0.00582 92.96439 189.57317
198.6 0.00503 92.95810 219.84430
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222.9 0.00449 92.94777 239.60846
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195.1 0.00513 92.93623 241.34106
187.7 0.00533 92.93525 228.06310
177.6 0.00563 92.93504 199.96078
164.2 0.00609 92.93559 173.17827
153.4 0.00652 92.93690 153.82108
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137.8 0.00726 92.96753 137.53697
141.9 0.00705 92.97496 148.05673
161.2 0.00620 92.98315 164.80682
178.7 0.00560 92.99210 188.66098
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212.1 0.00471 93.01228 234.70616
217.3 0.00460 93.02350 230.95520
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191.6 0.00522 93.04820 177.35139
164.0 0.00610 93.06168 155.02753
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123.8 0.00807 93.14023 117.75816
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123.9 0.00807 93.23709 116.32478
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129.4 0.00773 93.32748 126.05997
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141.8 0.00705 93.40262 149.15848
147.1 0.00680 93.42903 165.17578
172.5 0.00580 93.45612 189.68196
204.3 0.00489 93.48389 226.67860
241.6 0.00414 93.51234 278.90161
289.0 0.003460 93.54144 338.89529
326.3 0.003065 93.57120 374.64899
343.1 0.002914 93.60160 355.29321
321.4 0.003111 93.63265 303.74786
288.8 0.003462 93.66433 257.31213
247.6 0.00404 93.69666 229.02692
217.0 0.00461 93.72960 219.20233
209.1 0.00478 93.76316 226.19002
206.3 0.00485 93.79734 247.60931
214.9 0.00465 93.83212 274.30563
222.0 0.00451 93.86749 284.07635
223.7 0.00447 93.90347 264.61536
212.5 0.00471 93.94001 234.53314
204.4 0.00489 93.97713 212.63795
197.5 0.00506 94.01482 204.29555
195.8 0.00511 94.05308 209.07863
203.9 0.00490 94.09188 222.92323
212.0 0.00472 94.13123 233.94157
217.0 0.00461 94.17112 229.00758
215.9 0.00463 94.21153 214.13327
207.1 0.00483 94.25246 203.56773
199.4 0.00502 94.29389 201.22583
191.5 0.00522 94.33584 199.91393
185.4 0.00539 94.37827 189.34464
176.4 0.00567 94.42119 171.45860
169.3 0.00591 94.46458 154.76723
152.7 0.00655 94.50844 142.58148
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132.7 0.00754 94.82768 126.15102
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154.6 0.00647 95.06753 160.88289
169.7 0.00589 95.11655 181.77383
200.7 0.00498 95.16589 213.60541
239.0 0.00418 95.21555 259.39395
288.2 0.003469 95.26552 314.82803
324.7 0.003080 95.31577 354.42407
339.8 0.002943 95.36631 344.91138
326.7 0.003061 95.41711 298.37698
296.6 0.003372 95.46817 251.33842
255.7 0.00391 95.51949 219.74895
221.1 0.00452 95.57104 204.80226
205.3 0.00487 95.62282 204.58083
197.4 0.00507 95.67480 216.59142
205.3 0.00487 95.72700 233.75095
207.4 0.00482 95.77938 239.44412
205.6 0.00486 95.83195 223.24127
198.0 0.00505 95.88467 197.76981
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178.8 0.00559 95.99059 164.57532
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161.7 0.00618 96.15042 155.59683
157.8 0.00634 96.20391 148.58279
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123.9 0.00807 96.52618 116.93366
123.8 0.00808 96.58000 116.66069
118.8 0.00842 96.63383 117.48298
123.7 0.00809 96.68764 119.65631
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122.4 0.00817 96.79517 129.04395
125.1 0.00800 96.84888 134.42410
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128.4 0.00779 96.95609 131.08568
132.8 0.00753 97.00957 124.97638
131.8 0.00759 97.06296 120.13573
124.8 0.00801 97.11623 117.11832
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119.8 0.00835 97.22240 115.62851
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120.0 0.00833 97.32800 119.86002
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127.5 0.00784 97.43291 131.84929
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134.8 0.00742 97.69157 122.61023
123.3 0.00811 97.74259 118.21283
121.7 0.00822 97.79335 115.58921
118.1 0.00846 97.84383 114.29238
118.9 0.00841 97.89403 114.02816
115.2 0.00868 97.94392 114.69567
114.8 0.00871 97.99351 116.43037
124.8 0.00801 98.04276 119.57700
124.2 0.00805 98.09168 124.64401
124.8 0.00801 98.14027 131.98093
132.6 0.00754 98.18849 140.50410
135.6 0.00738 98.23635 145.66449
135.7 0.00737 98.28384 142.86543
133.0 0.00752 98.33092 135.01982
128.1 0.00781 98.37762 127.47710
125.8 0.00795 98.42390 122.13244
123.7 0.00808 98.46976 118.83408
118.6 0.00843 98.51519 117.03973
119.8 0.00835 98.56017 116.31032
118.8 0.00842 98.60471 116.36909
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115.7 0.00864 98.69240 118.44606
116.4 0.00859 98.73552 120.53483
118.5 0.00844 98.77814 123.54963
120.3 0.00831 98.82027 127.85278
125.2 0.00799 98.86189 134.07849
132.3 0.00756 98.90298 143.30353
140.5 0.00712 98.94355 157.25293
163.7 0.00611 98.98358 178.40755
197.5 0.00506 99.02306 209.50316
233.1 0.00429 99.06198 250.47879
269.7 0.00371 99.10034 289.86218
288.7 0.003464 99.13812 302.72107
285.3 0.003505 99.17532 280.02576
263.3 0.00380 99.21194 240.12654
226.7 0.00441 99.24795 202.46291
191.2 0.00523 99.28335 174.54520
160.1 0.00625 99.31814 155.84039
143.3 0.00698 99.35231 143.80643
130.5 0.00766 99.38585 136.26210
128.5 0.00778 99.41875 131.78989
123.7 0.00808 99.45100 129.64883
123.9 0.00807 99.48261 129.63245
123.7 0.00808 99.51356 131.84462
124.6 0.00802 99.54384 136.39592
127.4 0.00785 99.57346 142.33813
131.9 0.00758 99.60239 146.02136
133.7 0.00748 99.63064 143.73416
131.5 0.00760 99.65820 137.81161
129.9 0.00770 99.68506 132.78664
127.9 0.00782 99.71123 130.53401
127.9 0.00782 99.73669 131.15952
129.2 0.00774 99.76144 133.65039
135.8 0.00736 99.78547 135.12624
127.6 0.00784 99.80878 132.55524
129.7 0.00771 99.83137 127.17449
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129.6 0.00772 99.87435 118.15015
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112.7 0.00887 100.01649 111.86964
117.2 0.00853 100.03085 112.23624
118.7 0.00842 100.04445 112.78570
119.1 0.00840 100.05729 113.55272
121.5 0.00823 100.06936 114.59768
115.9 0.00863 100.08066 116.01842
120.8 0.00828 100.09119 117.96573
121.5 0.00823 100.10095 120.64959
123.8 0.00808 100.10994 124.28160
128.7 0.00777 100.11816 128.95323
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143.5 0.00697 100.13818 151.31966
156.3 0.00640 100.14330 157.36526
157.6 0.00634 100.14766 156.45842
153.1 0.00653 100.15125 151.34740
151.7 0.00659 100.15407 147.14343
144.8 0.00690 100.15612 145.88437
144.3 0.00693 100.15740 147.80556
142.4 0.00702 100.15792 152.97925
146.0 0.00685 100.15768 161.94334
159.9 0.00625 100.15668 176.03162
169.0 0.00592 100.15491 197.70634
204.7 0.00489 100.15240 230.84103
265.9 0.00376 100.14913 280.46338
339.5 0.002946 100.14511 349.81537
416.9 0.002399 100.14035 428.92474
468.4 0.002135 100.13484 478.75388
484.4 0.002064 100.12859 461.40033
451.7 0.002214 100.12162 396.09406
396.1 0.002524 100.11391 325.55746
335.2 0.002983 100.10547 272.00027
280.2 0.00357 100.09631 237.09810
240.3 0.00416 100.08644 213.28284
216.8 0.00461 100.07586 192.85503
193.0 0.00518 100.06457 174.70363
171.8 0.00582 100.05258 160.52681
159.7 0.00626 100.03989 150.40831
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134.7 0.00742 99.98232 134.85040
131.5 0.00761 99.96626 134.91089
133.8 0.00748 99.94954 136.45415
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143.8 0.00695 99.91416 145.71794
156.5 0.00639 99.89552 155.06032
168.2 0.00594 99.87624 168.90253
185.9 0.00538 99.85636 186.96124
195.4 0.00512 99.83586 205.78847
210.5 0.00475 99.81476 222.83606
222.0 0.00451 99.79308 242.36026
233.9 0.00428 99.77081 263.90674
238.1 0.00420 99.74795 270.81506
234.1 0.00427 99.72453 250.17696
216.6 0.00462 99.70056 215.96991
190.5 0.00525 99.67604 185.40942
170.4 0.00587 99.65099 163.26923
147.8 0.00677 99.62540 148.29150
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133.3 0.00750 99.57270 131.64935
129.7 0.00771 99.54559 127.16089
132.3 0.00756 99.51801 124.19470
119.8 0.00835 99.48994 122.41601
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125.8 0.00795 99.43242 122.09422
129.2 0.00774 99.40298 123.52617
126.4 0.00791 99.37312 125.37200
125.5 0.00797 99.34285 125.86506
129.6 0.00772 99.31216 123.77921
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126.4 0.00791 99.24959 117.41312
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119.8 0.00835 99.05332 112.04122
115.3 0.00868 99.01949 112.25447
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320.4 0.003121 95.34368 315.26260
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382.7 0.002613 95.26403 370.85782
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325.8 0.003069 95.18615 282.99564
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156.3 0.00640 103.13988 155.11450
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119.9 0.00834 105.36016 123.23119
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132.4 0.00755 106.58074 131.13806
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129.7 0.00771 106.47848 121.34821
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123.4 0.00810 106.37607 128.87386
129.4 0.00773 106.34747 133.55544
139.6 0.00717 106.31815 140.28314
159.2 0.00628 106.28843 149.51173
163.3 0.00612 106.25857 160.60612
162.1 0.00617 106.22890 170.22488
171.5 0.00583 106.19972 173.63109
166.4 0.00601 106.17140 170.68665
166.0 0.00602 106.14429 165.77600
158.7 0.00630 106.11875 161.08945
149.4 0.00669 106.09519 155.55922
139.9 0.00715 106.07400 149.17165
132.1 0.00757 106.05562 143.72765
128.6 0.00778 106.04049 140.40800
128.5 0.00778 106.02908 139.43451
138.5 0.00722 106.02186 140.81848
141.0 0.00709 106.01934 144.78683
147.1 0.00680 106.02204 151.91112
148.8 0.00672 106.03051 163.02075
164.5 0.00608 106.04529 178.48038
197.8 0.00506 106.06699 195.95647
198.6 0.00503 106.09618 207.76237
201.8 0.00496 106.13351 205.57106
183.5 0.00545 106.17959 191.05426
176.3 0.00567 106.23514 173.00865
153.0 0.00654 106.30078 157.53003
149.3 0.00670 106.37725 146.10625
149.8 0.00668 106.46532 138.13925
130.3 0.00768 106.56567 132.68927
132.2 0.00756 106.67917 129.01625
130.0 0.00769 106.80650 126.62715
133.5 0.00749 106.94860 125.19466
126.3 0.00792 107.10620 124.42375
133.7 0.00748 107.28030 123.91808
124.9 0.00800 107.47164 123.32216
125.0 0.00800 107.68121 122.70997
131.5 0.00761 107.91003 122.41073
142.3 0.00703 108.15891 122.62202
134.5 0.00743 108.42899 123.32972
124.6 0.00803 108.72108 124.21561
129.7 0.00771 109.03647 124.66109
127.5 0.00784 109.37594 124.36629
122.2 0.00819 109.74084 123.76743
115.4 0.00867 110.13200 123.38019
118.2 0.00846 110.55067 123.39333
121.2 0.00825 110.99820 123.82436
137.1 0.00729 111.47540 124.66791
121.8 0.00821 111.98382 125.94538
131.5 0.00761 112.52431 127.72496
114.5 0.00873 113.09853 130.13664
138.0 0.00724 113.70728 133.39771
154.2 0.00648 114.35208 137.81978
147.6 0.00677 115.03450 143.73613
158.3 0.00632 115.75535 151.14072
163.7 0.00611 116.51651 158.89035
172.7 0.00579 117.31879 164.53200
155.5 0.00643 118.16418 167.02354
149.7 0.00668 119.05344 168.29610
174.9 . . .
_pd_meas_number_of_points        3100
_pd_proc_number_of_points        3100

_reflns_number_total             399
_reflns_limit_h_min              0
_reflns_limit_h_max              23
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -5
_reflns_limit_l_max              5
_reflns_d_resolution_high        1.286
_reflns_d_resolution_low         12.949
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003012'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_twin034

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10.94 H2 Co2 O11.88'
_chemical_formula_weight         441.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
H H 0.0000 0.0000
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
O O 0.0132 0.0074
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
Co Co 0.3480 1.1404
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   25.994(7)
_cell_length_b                   25.994(7)
_cell_length_c                   6.8127(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3987(2)
_cell_formula_units_Z            9
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3344
_cell_measurement_theta_min      3.41
_cell_measurement_theta_max      31.99

_exptl_crystal_description       needle
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_F_000             1948
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.428
_shelx_estimated_absorpt_T_min   0.642
_shelx_estimated_absorpt_T_max   0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.287
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_process_details   'TWINABS-2012/1 (Bruker,2012)'

_exptl_special_details           
;
The crystal was mounted on a Kapton loop using a minimal amount
 of epoxy to ensure that the crystal pores remained accessible.
 The sample was then placed in a custom-made gas cell equipped
 with a borosilicate glass cap, O-ring seal, and gas loading
 valve.  The cell was evacuated under reduced pressure at
 473 K for 4 hours to remove solvent molecules in the filling
 the pores and bound onto the exposed Co sites within the crystal.
 After obtaining the structure of the desolvated crystal to
 confirm the absence of solvent bound onto the Co sites, the
 cell was warmed to room temperature then dosed with 5 torr CO2.
 The cell was then cooled at a rate of 2 K per minute to a final
 temperature of 150 K followed by data collection.  The crystal
 was found to be an obverse/reverse twin based on the diffraction
 pattern.  CELL_NOW was used to determine the orientation matrices
 and the domains were related by a 180 deg rotation around the
 reciprocal axis 0 1 1. The integration was preformed with both
 matrices. TWINABS was you to produce a merged HKLF4 file, for
 structure solution and initial refinement, and HKLF5 file for
 final structure refinement. The HKLF5 file contained the merged
 reflections first component and those that overlapped with the
 second component were split into 2 reflections. TWINABS indicated
 the twin faction to be 57:43. The structure was solved using the
 HKLF4 file, but the best refinement was given by the HKLF5 file.  
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.7749
_diffrn_radiation_type           synchrotron
_diffrn_source                   'Advanced Light Source station 11.3.1'
_diffrn_measurement_device_type  'Bruker APEX II CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6875
_diffrn_reflns_av_unetI/netI     0.0810
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         3.406
_diffrn_reflns_theta_max         32.075
_diffrn_reflns_theta_full        27.706
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measured_fraction_theta_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_point_group_measured_fraction_full 0.963
_reflns_number_total             2236
_reflns_number_gt                1721
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX 2'
_computing_cell_refinement       'Bruker SAINT v8.27b'
_computing_data_reduction        'Bruker SAINT v8.27b'
_computing_structure_solution    'Bruker SHELXS'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    OLEX2
_computing_publication_material  'Bruker SHELXTL & OLEX2'
_refine_special_details          
;

 Thermal parameters were refined anisotropically for all non-hydrogen
 atoms. Hydrogen atoms were placed in ideal positions and refined using
 a riding model. Site occupancy factors for the CO2 bound onto Co
 (C4, C5, and O5) and the CO2 at a second site (O6, C6, and O7)
 were refined as two separate independent free variables. C5 and O5
 were disordered, so the rigid bond restraint and similar ADP restraint
 were applied to C4, O5, and C5. The bond distances for O4-C5 and C5-O5
 were also restrained to be similar.  The second CO2 found in the
 structure was severely disordered, which is expected due to it being
 held only by Van der Waals interactions. The ADPs for O6, C6, and O7
 were restrained to be the same. The bond distances for O6-C6 and C6-O7,
 and the bond distance for O6-O7 were restrained to be 1.163 and 2.326,
 respectively. Additional electron density that could not be modeled was
 found inside the pore, which is probably due to additional CO2 that
 is severely disordered.
;
_vrf_PLAT220_twin034             
;
PROBLEM: Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        8.3 Ratio 
RESPONSE: This is in the bound CO2 molecule along with the terminal oxygen
 which were left to reflect the disorder/thermal motion present in the system.
;
_vrf_PLAT601_twin034             
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        193 Ang3  
RESPONSE: The structure does contain void space with is probably occupied
 by more CO2 however as no obvious CO2 molecule could be seen in the
 electron density it could not be modelled.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1049P)²+88.3050P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2236
_refine_ls_number_parameters     117
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0977
_refine_ls_wR_factor_ref         0.2628
_refine_ls_wR_factor_gt          0.2437
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.94947(5) 0.63467(5) 0.01866(17) 0.0207(3) Uani 1 1 d . . . . .
O1 O 0.9407(2) 0.6902(3) 0.8309(8) 0.0216(12) Uani 1 1 d . . . . .
O2 O 0.9628(3) 0.6594(3) 0.4697(9) 0.0233(12) Uani 1 1 d . . . . .
O3 O 0.8953(3) 0.6335(3) 0.2350(9) 0.0254(13) Uani 1 1 d . . . . .
O4 O 0.8710(5) 0.5537(4) -0.1137(17) 0.055(4) Uani 0.85(3) 1 d D U P . .
O5 O 0.7698(15) 0.521(3) -0.077(10) 0.45(3) Uani 0.85(3) 1 d D U P . .
O6 O 0.8821(18) 0.5177(17) 0.502(6) 0.22(2) Uani 0.62(3) 1 d D . P . .
O7 O 0.8144(18) 0.4811(18) 0.245(5) 0.22(2) Uani 0.62(3) 1 d D . P . .
C1 C 0.8889(4) 0.6777(4) 0.7427(12) 0.0221(16) Uani 1 1 d . . . . .
C2 C 0.8742(4) 0.6610(4) 0.5473(13) 0.0246(17) Uani 1 1 d . . . . .
C3 C 0.8191(4) 0.6502(4) 0.4751(13) 0.0244(16) Uani 1 1 d . . . . .
H3 H 0.8095 0.6387 0.3417 0.029 Uiso 1 1 calc R U . . .
C4 C 0.9131(4) 0.6510(4) 0.4079(13) 0.0221(16) Uani 1 1 d . . . . .
C5 C 0.8198(10) 0.5347(19) -0.106(8) 0.181(15) Uani 0.85(3) 1 d D U P . .
C6 C 0.851(2) 0.496(2) 0.368(7) 0.22(2) Uani 0.62(3) 1 d D . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.024(6) 1_554 ?
Co1 O3 2.028(6) . ?
Co1 O1 2.037(6) 5_654 ?
Co1 O2 2.083(6) 5_654 ?
Co1 O2 2.120(6) 9_664 ?
Co1 O4 2.261(9) . ?
O1 C1 1.358(10) . ?
O1 Co1 2.024(6) 1_556 ?
O1 Co1 2.037(6) 9_665 ?
O2 C4 1.268(10) . ?
O2 Co1 2.083(6) 9_665 ?
O2 Co1 2.120(6) 5_655 ?
O3 C4 1.264(11) . ?
O4 C5 1.17(2) . ?
O5 C5 1.18(2) . ?
O6 C6 1.165(10) . ?
O7 C6 1.170(10) . ?
C1 C2 1.393(12) . ?
C1 C3 1.394(12) 13_666 ?
C2 C3 1.404(12) . ?
C2 C4 1.503(12) . ?
C3 C1 1.394(12) 13_666 ?
C3 H3 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Co1 O3 98.4(2) 1_554 . ?
O1 Co1 O1 165.5(3) 1_554 5_654 ?
O3 Co1 O1 95.6(2) . 5_654 ?
O1 Co1 O2 82.7(2) 1_554 5_654 ?
O3 Co1 O2 178.2(3) . 5_654 ?
O1 Co1 O2 83.2(2) 5_654 5_654 ?
O1 Co1 O2 92.8(2) 1_554 9_664 ?
O3 Co1 O2 97.0(2) . 9_664 ?
O1 Co1 O2 81.5(2) 5_654 9_664 ?
O2 Co1 O2 81.49(7) 5_654 9_664 ?
O1 Co1 O4 92.4(3) 1_554 . ?
O3 Co1 O4 88.8(4) . . ?
O1 Co1 O4 91.9(3) 5_654 . ?
O2 Co1 O4 92.6(4) 5_654 . ?
O2 Co1 O4 171.6(4) 9_664 . ?
C1 O1 Co1 124.2(5) . 1_556 ?
C1 O1 Co1 124.2(5) . 9_665 ?
Co1 O1 Co1 96.1(2) 1_556 9_665 ?
C4 O2 Co1 129.8(5) . 9_665 ?
C4 O2 Co1 135.4(6) . 5_655 ?
Co1 O2 Co1 91.9(2) 9_665 5_655 ?
C4 O3 Co1 123.0(5) . . ?
C5 O4 Co1 133(3) . . ?
O1 C1 C2 125.6(7) . . ?
O1 C1 C3 116.6(7) . 13_666 ?
C2 C1 C3 117.8(8) . 13_666 ?
C1 C2 C3 119.4(8) . . ?
C1 C2 C4 123.7(8) . . ?
C3 C2 C4 116.8(8) . . ?
C1 C3 C2 122.8(8) 13_666 . ?
C1 C3 H3 118.6 13_666 . ?
C2 C3 H3 118.6 . . ?
O3 C4 O2 122.0(8) . . ?
O3 C4 C2 119.6(7) . . ?
O2 C4 C2 118.4(8) . . ?
O4 C5 O5 171(6) . . ?
O6 C6 O7 167(6) . . ?

_refine_diff_density_max         1.564
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.229

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1003013'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_F37_publ

_pd_block_id                     2014-01-21T12:19|37|1_38|wombat

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-21T12:19
_audit_update_record             
; 2014-01-21T12:19  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     71
_refine_ls_goodness_of_fit_all   1.56
_refine_ls_number_restraints     11
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            green

_diffrn_ambient_temperature      298

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    298

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   'MOF74-Fe CO2'
_cell_length_a                   26.0818(13)
_cell_length_b                   26.0818
_cell_length_c                   6.8783(6)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     4052.1(5)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Fe Fe 0.38620(34) 0.3557(4) 0.1342(11) 1.0 Uiso 0.0139(21) 18
O O1 0.3256(5) 0.2966(5) 0.3697(19) 1.0 Uiso 0.0205(21) 18
O O2 0.3034(5) 0.2294(5) 0.5904(18) 1.0 Uiso 0.0205(21) 18
O O3 0.3573(6) 0.2668(5) 0.0098(20) 1.0 Uiso 0.0205(21) 18
C C1 0.3206(5) 0.2494(4) 0.4203(16) 1.0 Uiso 0.0094(14) 18
C C2 0.3157(5) 0.1994(4) 0.3003(15) 1.0 Uiso 0.0094(14) 18
C C3 0.3410(5) 0.2164(4) 0.1172(15) 1.0 Uiso 0.0094(14) 18
C C4 0.3451(5) 0.1818(4) -0.0245(15) 1.0 Uiso 0.0094(14) 18
H H 0.3613(8) 0.1928(8) -0.1618(30) 1.0 Uiso 0.006(8) 18
O O2b 0.2097(13) 0.7397(11) 0.571(5) 0.645(8) Uiso 0.144(15) 18
C C2a 0.1620(9) 0.6993(8) 0.5979(28) 0.645(8) Uiso 0.050(9) 18
O O2a 0.1164(9) 0.6603(10) 0.6231(32) 0.645(8) Uiso 0.041(10) 18
O O3b 0.191(4) 0.043(5) 0.659(18) 0.124(6) Uiso 0.05(5) 18
C C3a 0.1742(34) 0.038(4) 0.512(13) 0.124(6) Uiso 0.01(4) 18
O O3a 0.159(4) 0.036(4) 0.359(16) 0.124(6) Uiso 0.01(5) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.77 H Fe O4.54'
_chemical_formula_weight         186.77
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe O1 2.250(13) . 1_555 N
Fe O1 2.082(17) . 103_554 N
Fe O2 1.971(16) . 202_554 N
Fe O3 2.222(15) . 1_555 N
Fe O3 2.171(18) . 202_555 N
Fe O2a 2.387(31) . 101_544 N
O1 Fe 2.250(13) . 1_555 N
O1 Fe 2.082(17) . 202_555 N
O1 O2 2.167(18) . 1_555 N
O1 C1 1.223(18) . 1_555 N
O2 Fe 1.971(16) . 103_555 N
O2 O1 2.167(18) . 1_555 N
O2 C1 1.268(16) . 1_555 N
O3 Fe 2.222(15) . 1_555 N
O3 Fe 2.171(18) . 103_554 N
O3 C3 1.376(16) . 1_555 N
O3 C4 2.089(18) . 1_555 N
C1 O1 1.223(18) . 1_555 N
C1 O2 1.268(16) . 1_555 N
C1 C2 1.494(16) . 1_555 N
C2 C1 1.494(16) . 1_555 N
C2 C3 1.388(14) . 1_555 N
C3 O3 1.376(16) . 1_555 N
C3 C2 1.388(14) . 1_555 N
C3 C4 1.369(16) . 1_555 N
C4 O3 2.089(18) . 1_555 N
C4 C3 1.369(16) . 1_555 N
C4 H 1.015(23) . 1_555 N
H C4 1.015(23) . 1_555 N
O2b C2a 1.175(30) . 1_555 N
C2a O2b 1.175(30) . 1_555 N
C2a O2a 1.127(25) . 1_555 N
O2a Fe 2.387(31) . 201_455 N
O2a C2a 1.127(25) . 1_555 N
O3b C3a 1.08(15) . 1_555 N
C3a O3b 1.08(15) . 1_555 N
C3a O3a 1.12(14) . 1_555 N
O3a C3a 1.12(14) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Fe O2 99.7(6) 103_554 . 202_554 N
Fe O1 C1 141.6(11) 202_555 . 1_555 N
Fe O2 C1 121.4(10) 103_555 . 1_555 N
O1 C1 O2 120.9(14) 1_555 . 1_555 N
O1 C1 C2 129.9(11) 1_555 . 1_555 N
O2 C1 C2 107.1(10) 1_555 . 1_555 N
C1 C2 C3 113.7(9) 1_555 . 1_555 N
C3 C2 C4 107.3(12) 1_555 . -201_555 N
O3 C3 C2 131.5(12) 1_555 . 1_555 N
O3 C3 C4 99.1(10) 1_555 . 1_555 N
C2 C3 C4 128.1(9) 1_555 . 1_555 N
C2 C4 H 107.6(19) -201_555 . 1_555 N
C3 C4 H 129.4(16) 1_555 . 1_555 N
O2b C2a O2a 180.000(22) 1_555 . 1_555 N
O3b C3a O3a 176(11) 1_555 . 1_555 N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT601_F37_publ            
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        184 Ang3  
RESPONSE: The material is very porous and was evacuated prior to dosing with CO2
;
# end Validation Reply Form


# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.7948
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  wombat
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Fe 18.0 0.9450 International_Tables_Vol_C
O 81.706 0.5803 International_Tables_Vol_C
C 85.853 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0176
_pd_proc_ls_prof_wR_factor       0.0225
_pd_proc_ls_prof_wR_expected     0.0151
_refine_ls_R_Fsqd_factor         0.08379

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 10 terms.
 Shifted Chebyshev function of 1st kind
      1:    3804.85     2:   -736.530     3:    150.027     4:    22.7711    
      5:   -29.9536     6:   -13.2782     7:    7.77635     8:   -44.8123    
      9:   -15.5805    10:    45.7205    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   = 1077.490 #2(GV)   = ******** #3(GW)   = 1281.230
 #4(GP)   =  348.529 #5(LX)   =    4.083 #6(LY)   =   17.784
 #7(S/L)  =   0.0924 #8(H/L)  =   0.0867
 #9(trns) =     0.00 #10(shft)=   7.0500
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-01-21T12:19:46
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        15.8002
_pd_meas_2theta_range_max        135.6752
_pd_meas_2theta_range_inc        0.125
_pd_proc_2theta_range_min        15.4138
_pd_proc_2theta_range_max        135.2888
_pd_proc_2theta_range_inc        0.125

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
0.0(10) 0.0 4316.54 .
0.0(10) 0.0 4341.43 .
0.0(10) 0.0 4365.06 .
0.0(10) 0.0 4387.45 .
0.0(10) 0.0 4408.65 .
0.0(10) 0.0 4428.70 .
0.0(10) 0.0 4447.64 .
5818(76) 0.0 4465. .
3492(59) 0.0 4482. .
4143(64) 0.0 4498. .
3925(63) 0.0 4513. .
4832(70) 0.0 4527. .
3833(62) 0.0 4540. .
9113(95) 0.0 4552. .
4580(68) 0.0 4563. .
4690(68) 0.0 4574. .
5265(73) 0.0 4583. .
4580(68) 0.0 4592. .
4350(66) 0.0 4601. .
4425(67) 0.0 4608. .
4713(69) 0.0 4615. .
4803(69) 0.0 4621. .
4759(69) 0.0 4627. .
4778(69) 0.0 4632. .
4836(70) 0.0 4636. .
4635(68) 0.0 4640. .
4736(69) 0.0002100 4643. 4684.
4786(69) 0.0002100 4646. 4707.
4769(69) 0.0002100 4648. 4737.
4745(69) 0.0002100 4650. 4777.
4673(68) 0.0002163 4652. 4826.
4805(69) 0.0002100 4653. 4886.
4764(69) 0.0002100 4654. 4958.
4817(69) 0.0002100 4654. 5039.
5061(71) 0.0001984 4654. 5133.
5311(73) 0.0001877 4653. 5241.
5379(73) 0.0001877 4652. 5366.
5515(74) 0.0001826 4651. 5515.
5922(77) 0.0001687 4650. 5697.
6080(78) 0.0001644 4648. 5925.
6343(80) 0.0001562 4646. 6215.
6688(82) 0.0001487 4644. 6577.
7051(84) 0.0001417 4642. 7010.
7396(86) 0.0001352 4639. 7483.
7530(87) 0.0001321 4637. 7925.
7939(89) 0.0001262 4634. 8234.
8077(90) 0.0001235 4630. 8305.
8065(90) 0.0001235 4627. 8078.
7775(88) 0.0001291 4624. 7578.
7233(85) 0.0001384 4620. 6917.
6617(81) 0.0001524 4616. 6239.
6099(78) 0.0001644 4612. 5658.
5658(75) 0.0001778 4608. 5228.
5332(73) 0.0001877 4604. 4951.
5056(71) 0.0001984 4600. 4794.
4891(70) 0.0002041 4596. 4718.
4741(69) 0.0002100 4591. 4690.
4712(69) 0.0002100 4587. 4687.
4587(68) 0.0002163 4582. 4698.
4762(69) 0.0002100 4578. 4720.
4747(69) 0.0002100 4573. 4750.
4626(68) 0.0002163 4569. 4788.
4733(69) 0.0002100 4564. 4837.
4838(70) 0.0002041 4559. 4898.
4941(70) 0.0002041 4555. 4976.
5148(72) 0.0001929 4550. 5076.
5199(72) 0.0001929 4545. 5205.
5321(73) 0.0001877 4540. 5363.
5423(74) 0.0001826 4536. 5545.
5371(73) 0.0001877 4531. 5728.
5655(75) 0.0001778 4526. 5877.
5848(76) 0.0001731 4522. 5950.
5734(76) 0.0001731 4517. 5914.
5556(75) 0.0001778 4513. 5765.
5476(74) 0.0001826 4508. 5535.
5235(72) 0.0001929 4504. 5272.
5148(72) 0.0001929 4499. 5028.
4981(71) 0.0001984 4495. 4833.
4904(70) 0.0002041 4490. 4699.
4797(69) 0.0002100 4486. 4619.
4646(68) 0.0002163 4482. 4582.
4737(69) 0.0002100 4478. 4572.
4639(68) 0.0002163 4473. 4589.
4676(68) 0.0002163 4469. 4625.
4704(69) 0.0002100 4465. 4678.
4667(68) 0.0002163 4461. 4749.
4774(69) 0.0002100 4458. 4841.
4989(71) 0.0001984 4454. 4958.
4991(71) 0.0001984 4450. 5107.
5334(73) 0.0001877 4446. 5301.
5621(75) 0.0001778 4443. 5549.
5942(77) 0.0001687 4439. 5855.
6100(78) 0.0001644 4436. 6202.
6424(80) 0.0001562 4432. 6544.
6791(82) 0.0001487 4429. 6805.
6918(83) 0.0001452 4426. 6901.
6767(82) 0.0001487 4423. 6776.
6512(81) 0.0001524 4419. 6441.
5985(77) 0.0001687 4416. 5980.
5610(75) 0.0001778 4414. 5504.
5157(72) 0.0001929 4411. 5102.
4712(69) 0.0002100 4408. 4810.
4518(67) 0.0002228 4405. 4626.
4516(67) 0.0002228 4403. 4525.
4430(67) 0.0002228 4400. 4476.
4429(67) 0.0002228 4397. 4455.
4471(67) 0.0002228 4395. 4451.
4495(67) 0.0002228 4393. 4455.
4516(67) 0.0002228 4390. 4465.
4462(67) 0.0002228 4388. 4482.
4495(67) 0.0002228 4386. 4505.
4612(68) 0.0002163 4384. 4537.
4571(68) 0.0002163 4382. 4579.
4653(68) 0.0002163 4380. 4632.
4782(69) 0.0002100 4378. 4693.
4831(70) 0.0002041 4377. 4751.
4815(69) 0.0002100 4375. 4793.
4864(70) 0.0002041 4373. 4805.
4818(69) 0.0002100 4372. 4776.
4743(69) 0.0002100 4370. 4713.
4564(68) 0.0002163 4368. 4631.
4459(67) 0.0002228 4367. 4551.
4320(66) 0.0002296 4366. 4486.
4332(66) 0.0002296 4364. 4442.
4315(66) 0.0002296 4363. 4419.
4191(65) 0.0002367 4362. 4412.
4168(65) 0.0002367 4361. 4419.
4313(66) 0.0002296 4360. 4439.
4308(66) 0.0002296 4358. 4475.
4415(66) 0.0002296 4357. 4529.
4554(67) 0.0002228 4356. 4608.
4690(68) 0.0002163 4355. 4715.
4859(70) 0.0002041 4355. 4860.
5109(71) 0.0001984 4354. 5050.
5216(72) 0.0001929 4353. 5298.
5545(74) 0.0001826 4352. 5599.
6001(77) 0.0001687 4351. 5922.
6329(80) 0.0001562 4351. 6208.
6362(80) 0.0001562 4350. 6380.
6411(80) 0.0001562 4349. 6366.
6228(79) 0.0001602 4348. 6149.
5876(77) 0.0001687 4348. 5784.
5531(74) 0.0001826 4347. 5375.
4988(71) 0.0001984 4347. 5012.
4749(69) 0.0002100 4346. 4746.
4553(67) 0.0002228 4345. 4584.
4458(67) 0.0002228 4345. 4506.
4430(67) 0.0002228 4344. 4487.
4493(67) 0.0002228 4344. 4508.
4554(67) 0.0002228 4343. 4558.
4585(68) 0.0002163 4343. 4635.
4663(68) 0.0002163 4342. 4742.
4934(70) 0.0002041 4342. 4880.
5155(72) 0.0001929 4341. 5039.
5167(72) 0.0001929 4341. 5198.
5240(72) 0.0001929 4340. 5320.
5317(73) 0.0001877 4340. 5364.
5382(73) 0.0001877 4339. 5304.
5187(72) 0.0001929 4339. 5150.
4946(70) 0.0002041 4338. 4949.
4759(69) 0.0002100 4338. 4755.
4618(68) 0.0002163 4337. 4602.
4643(68) 0.0002163 4336. 4505.
4433(67) 0.0002228 4336. 4460.
4400(66) 0.0002296 4335. 4459.
4441(67) 0.0002228 4335. 4493.
4499(67) 0.0002228 4334. 4562.
4669(68) 0.0002163 4333. 4672.
4792(69) 0.0002100 4333. 4831.
5079(71) 0.0001984 4332. 5050.
5402(73) 0.0001877 4331. 5333.
5722(76) 0.0001731 4331. 5665.
6106(78) 0.0001644 4330. 6001.
6311(79) 0.0001602 4329. 6266.
6485(81) 0.0001524 4328. 6374.
6226(79) 0.0001602 4327. 6269.
5894(77) 0.0001687 4327. 5969.
5419(74) 0.0001826 4326. 5564.
5075(71) 0.0001984 4325. 5162.
4715(69) 0.0002100 4324. 4838.
4494(67) 0.0002228 4323. 4617.
4418(66) 0.0002296 4322. 4491.
4373(66) 0.0002296 4321. 4432.
4360(66) 0.0002296 4320. 4417.
4441(67) 0.0002228 4318. 4431.
4444(67) 0.0002228 4317. 4466.
4612(68) 0.0002163 4316. 4520.
4677(68) 0.0002163 4315. 4593.
4772(69) 0.0002100 4313. 4679.
4983(71) 0.0001984 4312. 4764.
4973(71) 0.0001984 4311. 4825.
5112(71) 0.0001984 4309. 4839.
4934(70) 0.0002041 4308. 4794.
4873(70) 0.0002041 4306. 4702.
4628(68) 0.0002163 4305. 4590.
4558(68) 0.0002163 4303. 4488.
4410(66) 0.0002296 4301. 4411.
4358(66) 0.0002296 4300. 4362.
4431(67) 0.0002228 4298. 4334.
4479(67) 0.0002228 4296. 4321.
4402(66) 0.0002296 4294. 4313.
4439(67) 0.0002228 4293. 4312.
4356(66) 0.0002296 4291. 4309.
4367(66) 0.0002296 4289. 4306.
4365(66) 0.0002296 4287. 4304.
4398(66) 0.0002296 4284. 4302.
4401(66) 0.0002296 4282. 4301.
4415(66) 0.0002296 4280. 4299.
4403(66) 0.0002296 4278. 4298.
4468(67) 0.0002228 4276. 4297.
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3706(61) 0.0002687 3260. 3670.
3645(60) 0.0002778 3260. 3602.
3529(59) 0.0002873 3260. 3520.
3496(59) 0.0002873 3260. 3452.
3418(58) 0.0002973 3260. 3409.
3483(59) 0.0002873 3260. 3392.
3458(59) 0.0002873 3260. 3393.
3468(59) 0.0002873 3260. 3404.
3501(59) 0.0002873 3260. 3420.
3432(59) 0.0002873 3260. 3442.
3526(59) 0.0002873 3261. 3485.
3457(59) 0.0002873 3261. 3559.
3705(61) 0.0002687 3261. 3662.
3837(62) 0.0002601 3262. 3777.
3878(62) 0.0002601 3262. 3863.
3956(63) 0.0002520 3262. 3879.
3911(63) 0.0002520 3263. 3826.
3700(61) 0.0002687 3263. 3749.
3572(60) 0.0002778 3264. 3690.
3697(61) 0.0002687 3265. 3665.
3660(60) 0.0002778 3265. 3667.
3630(60) 0.0002778 3266. 3672.
3584(60) 0.0002778 3267. 3652.
3442(59) 0.0002873 3267. 3598.
3479(59) 0.0002873 3268. 3533.
3493(59) 0.0002873 3269. 3479.
3308(58) 0.0002973 3270. 3450.
3369(58) 0.0002973 3271. 3456.
3479(59) 0.0002873 3271. 3497.
3515(59) 0.0002873 3272. 3566.
3702(61) 0.0002687 3273. 3646.
3581(60) 0.0002778 3274. 3712.
3698(61) 0.0002687 3275. 3738.
3618(60) 0.0002778 3276. 3720.
3603(60) 0.0002778 3277. 3679.
3684(61) 0.0002687 3278. 3635.
3624(60) 0.0002778 3279. 3590.
3675(61) 0.0002687 3280. 3539.
3544(60) 0.0002778 3282. 3485.
3408(58) 0.0002973 3283. 3436.
3484(59) 0.0002873 3284. 3397.
3402(58) 0.0002973 3285. 3369.
3341(58) 0.0002973 3286. 3352.
3385(58) 0.0002973 3287. 3344.
3413(58) 0.0002973 3288. 3341.
3375(58) 0.0002973 3290. 3344.
3442(59) 0.0002873 3291. 3353.
3326(58) 0.0002973 3292. 3369.
3395(58) 0.0002973 3293. 3392.
3428(59) 0.0002873 3294. 3418.
3447(59) 0.0002873 3296. 3441.
3475(59) 0.0002873 3297. 3453.
3398(58) 0.0002973 3298. 3448.
3362(58) 0.0002973 3299. 3431.
3432(59) 0.0002873 3300. 3411.
3337(58) 0.0002973 3302. 3397.
3246(57) 0.0003078 3303. 3393.
3366(58) 0.0002973 3304. 3405.
3310(58) 0.0002973 3305. 3434.
3327(58) 0.0002973 3306. 3479.
3505(59) 0.0002873 3307. 3537.
3526(59) 0.0002873 3308. 3599.
3559(60) 0.0002778 3309. 3651.
3606(60) 0.0002778 3311. 3678.
3616(60) 0.0002778 3312. 3676.
3640(60) 0.0002778 3313. 3648.
3472(59) 0.0002873 3314. 3604.
3449(59) 0.0002873 3315. 3564.
3531(59) 0.0002873 3315. 3542.
3541(60) 0.0002778 3316. 3547.
3620(60) 0.0002778 3317. 3578.
3606(60) 0.0002778 3318. 3625.
3652(60) 0.0002778 3319. 3673.
3772(61) 0.0002687 3320. 3697.
3633(60) 0.0002778 3320. 3686.
3644(60) 0.0002778 3321. 3645.
3659(60) 0.0002778 3322. 3592.
3687(61) 0.0002687 3322. 3543.
3657(60) 0.0002778 3323. 3506.
3531(59) 0.0002873 3323. 3481.
3523(59) 0.0002873 3324. 3466.
3448(59) 0.0002873 3324. 3454.
3416(58) 0.0002973 3325. 3443.
3384(58) 0.0002973 3325. 3433.
3547(60) 0.0002778 3325. 3428.
3510(59) 0.0002873 3325. 3427.
3512(59) 0.0002873 3325. 3433.
3579(60) 0.0002778 3326. 3450.
3574(60) 0.0002778 3326. 3483.
3541(60) 0.0002778 3326. 3540.
3475(59) 0.0002873 3325. 3625.
3641(60) 0.0002778 3325. 3741.
3956(63) 0.0002520 3325. 3881.
4075(64) 0.0002441 3325. 4027.
4220(65) 0.0002367 3324. 4147.
4340(66) 0.0002296 3324. 4204.
4300(66) 0.0002296 3323. 4180.
4150(64) 0.0002441 3323. 4090.
4050(64) 0.0002441 3322. 3972.
3904(62) 0.0002601 3322. 3860.
3739(61) 0.0002687 3321. 3781.
3858(62) 0.0002601 3320. 3751.
3805(62) 0.0002601 3319. 3780.
3847(62) 0.0002601 3318. 3876.
4011(63) 0.0002520 3317. 4040.
4150(64) 0.0002441 3316. 4270.
4598(68) 0.0002163 3315. 4552.
4717(69) 0.0002100 3313. 4852.
4875(70) 0.0002041 3312. 5116.
5197(72) 0.0001929 3311. 5291.
5344(73) 0.0001877 3309. 5354.
5414(74) 0.0001826 3308. 5327.
5207(72) 0.0001929 3306. 5243.
5197(72) 0.0001929 3304. 5117.
4875(70) 0.0002041 3302. 4949.
4682(68) 0.0002163 3301. 4748.
4552(67) 0.0002228 3299. 4542.
4300(66) 0.0002296 3297. 4357.
4070(64) 0.0002441 3295. 4208.
4036(64) 0.0002441 3293. 4098.
3919(63) 0.0002520 3290. 4013.
3855(62) 0.0002601 3288. 3938.
3775(61) 0.0002687 3286. 3865.
3661(61) 0.0002687 3283. 3795.
3728(61) 0.0002687 3281. 3738.
3699(61) 0.0002687 3279. 3704.
3711(61) 0.0002687 3276. 3699.
3758(61) 0.0002687 3274. 3726.
3880(62) 0.0002601 3271. 3777.
3932(63) 0.0002520 3268. 3842.
3877(62) 0.0002601 3266. 3898.
4012(63) 0.0002520 3263. 3925.
4036(64) 0.0002441 3260. 3909.
3887(62) 0.0002601 3257. 3853.
3755(61) 0.0002687 3255. 3771.
3736(61) 0.0002687 3252. 3683.
3702(61) 0.0002687 3249. 3602.
3628(60) 0.0002778 3246. 3541.
3531(59) 0.0002873 3243. 3504.
3508(59) 0.0002873 3240. 3494.
3520(59) 0.0002873 3238. 3512.
3619(60) 0.0002778 3235. 3556.
3633(60) 0.0002778 3232. 3625.
3791(62) 0.0002601 3229. 3716.
3944(63) 0.0002520 3227. 3824.
4006(63) 0.0002520 3224. 3943.
4095(64) 0.0002441 3221. 4066.
4048(64) 0.0002441 3219. 4181.
4146(64) 0.0002441 3216. 4276.
4307(66) 0.0002296 3213. 4336.
4303(66) 0.0002296 3211. 4358.
4334(66) 0.0002296 3209. 4346.
4424(67) 0.0002228 3207. 4307.
4294(66) 0.0002296 3204. 4243.
4150(64) 0.0002441 3202. 4156.
4073(64) 0.0002441 3201. 4050.
4059(64) 0.0002441 3199. 3932.
3876(62) 0.0002601 3197. 3812.
3683(61) 0.0002687 3196. 3701.
3625(60) 0.0002778 3194. 3608.
3492(59) 0.0002873 3193. 3536.
3439(59) 0.0002873 3192. 3485.
3346(58) 0.0002973 3192. 3454.
3423(59) 0.0002873 3191. 3436.
3327(58) 0.0002973 3191. 3424.
3336(58) 0.0002973 3191. 3412.
3334(58) . . .
3274(57) . . .
3327(58) . . .
3266(57) . . .
3182(56) . . .
3216(57) . . .
3287(57) . . .
3262(57) . . .
3165(56) . . .
3154(56) . . .
3163(56) . . .
3251(57) . . .
3200(57) . . .
3253(57) . . .
3265(57) . . .
3209(57) . . .
3289(57) . . .
3149(56) . . .
3198(57) . . .
3340(58) . . .
3320(58) . . .
3335(58) . . .
3532(59) . . .
3614(60) . . .
3624(60) . . .
3676(61) . . .
3691(61) . . .
3647(60) . . .
3574(60) . . .
3370(58) . . .
3413(58) . . .
3390(58) . . .
3371(58) . . .
3325(58) . . .
3424(59) . . .
3450(59) . . .
3507(59) . . .
3530(59) . . .
3635(60) . . .
3582(60) . . .
3456(59) . . .
3454(59) . . .
3391(58) . . .
3421(58) . . .
3420(58) . . .
3499(59) . . .
3520(59) . . .
3451(59) . . .
3589(60) . . .
3640(60) . . .
3753(61) . . .
3759(61) . . .
3775(61) . . .
3995(63) . . .
3987(63) . . .
3991(63) . . .
3946(63) . . .
3986(63) . . .
4037(64) . . .
3935(63) . . .
3840(62) . . .
3718(61) . . .
3690(61) . . .
3670(61) . . .
3632(60) . . .
3513(59) . . .
3414(58) . . .
3470(59) . . .
3394(58) . . .
3452(59) . . .
3495(59) . . .
3479(59) . . .
3464(59) . . .
3542(60) . . .
3626(60) . . .
3590(60) . . .
3579(60) . . .
3618(60) . . .
3670(61) . . .
3704(61) . . .
3628(60) . . .
3760(61) . . .
3756(61) . . .
3679(61) . . .
3701(61) . . .
3686(61) . . .
3805(62) . . .
3903(62) . . .
3870(62) . . .
3862(62) . . .
3823(62) . . .
3837(62) . . .
3755(61) . . .
3635(60) . . .
3548(60) . . .
3522(59) . . .
3498(59) . . .
3512(59) . . .
3448(59) . . .
3355(58) . . .
3376(58) . . .
3486(59) . . .
3467(59) . . .
3478(59) . . .
3473(59) . . .
3560(60) . . .
3497(59) . . .
3485(59) . . .
3480(59) . . .
3539(59) . . .
3455(59) . . .
3565(60) . . .
3497(59) . . .
3512(59) . . .
3631(60) . . .
3638(60) . . .
3698(61) . . .
3791(62) . . .
3992(63) . . .
4104(64) . . .
4268(65) . . .
4237(65) . . .
4171(65) . . .
4227(65) . . .
3995(63) . . .
4050(64) . . .
3986(63) . . .
3993(63) . . .
3925(63) . . .
_pd_meas_number_of_points        960
_pd_proc_number_of_points        960

_reflns_number_total             226
_reflns_limit_h_min              0
_reflns_limit_h_max              16
_reflns_limit_k_min              -7
_reflns_limit_k_max              8
_reflns_limit_l_min              -4
_reflns_limit_l_max              4
_reflns_d_resolution_high        1.621
_reflns_d_resolution_low         7.529
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003014'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1P5CO2_ZN_RT_REMOVES_publ

_pd_block_id                     2014-01-21T11:46|1P5CO2_ZN_RT_REMOVES||bt1

_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_creation_date             2014-01-21T11:46
_audit_update_record             
; 2014-01-21T11:46  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details          
; ?
;
_pd_proc_ls_special_details      
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_ls_weighting_scheme      ?
_refine_ls_weighting_details     ?
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_number_constraints    ?

_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

_pd_char_colour                  ? # use ICDD colour descriptions
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.03
_computing_structure_refinement  GSAS
_refine_ls_number_parameters     72
_refine_ls_goodness_of_fit_all   1.08
_refine_ls_number_restraints     5
_refine_ls_matrix_type           full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology     ?

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and
# natural products
_exptl_crystal_colour            yellow

_diffrn_ambient_temperature      298

_symmetry_space_group_name_Hall  ?

_exptl_crystal_F_000             ?
_exptl_crystal_density_diffrn    ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?

_cell_measurement_temperature    298

_cell_special_details            
; ?
;

_geom_special_details            ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution    ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                   
'from /data/people/craigy/MgMOF/BT1/1108/MOF74.xtl'
_cell_length_a                   25.8870(16)
_cell_length_b                   25.887
_cell_length_c                   6.8210(6)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_volume                     3958.6(5)
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Zn Zn 0.3836(9) 0.3524(9) 0.1355(21) 1.0 Uiso 0.023(5) 18
O O1 0.3271(7) 0.2944(8) 0.3618(30) 1.0 Uiso 0.0266(29) 18
O O2 0.3033(8) 0.2283(8) 0.6077(27) 1.0 Uiso 0.0266(29) 18
O O3 0.3542(9) 0.2738(8) 0.0026(26) 1.0 Uiso 0.0266(29) 18
C C1 0.3160(8) 0.2447(8) 0.4295(22) 1.0 Uiso 0.0259(21) 18
C C2 0.3259(8) 0.2064(8) 0.2833(21) 1.0 Uiso 0.0259(21) 18
C C3 0.3412(8) 0.2202(8) 0.0939(22) 1.0 Uiso 0.0259(21) 18
C C4 0.3493(8) 0.1807(9) -0.0277(25) 1.0 Uiso 0.0259(21) 18
H H 0.3637(13) 0.1940(13) -0.153(4) 1.0 Uiso 0.022(9) 18
O O2b 0.223(4) 0.749(4) 0.543(11) 0.463(18) Uiso 0.140(30) 18
C C2a 0.1767(26) 0.7076(24) 0.584(8) 0.463(18) Uiso 0.089(20) 18
O O2a 0.1314(21) 0.6693(22) 0.617(5) 0.463(18) Uiso 0.022(14) 18
O O3b 0.175(7) 0.004(8) 0.746(27) 0.160(14) Uiso 0.09(5) 18
C C3a 0.174(5) 0.018(5) 0.580(20) 0.160(14) Uiso 0.05(5) 18
O O3a 0.172(6) 0.032(6) 0.424(26) 0.160(14) Uiso 0.07(5) 18

# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum            'C4.62 H O4.25 Zn'
_chemical_formula_weight         189.85
_cell_formula_units_Z            18

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn Zn 3.010(23) . 103_554 N
Zn Zn 3.010(23) . 202_555 N
Zn O1 2.140(25) . 1_555 N
Zn O1 2.133(23) . 103_554 N
Zn O2 1.952(28) . 202_554 N
Zn O3 1.998(24) . 1_555 N
Zn O3 2.016(26) . 202_555 N
Zn O2a 2.55(5) . 101_544 N
O1 Zn 2.140(25) . 1_555 N
O1 Zn 2.133(23) . 202_555 N
O1 C1 1.258(22) . 1_555 N
O2 Zn 1.952(28) . 103_555 N
O2 C1 1.275(18) . 1_555 N
O3 Zn 1.998(24) . 1_555 N
O3 Zn 2.016(26) . 103_554 N
O3 C3 1.401(20) . 1_555 N
C1 O1 1.258(22) . 1_555 N
C1 O2 1.275(18) . 1_555 N
C1 C2 1.515(22) . 1_555 N
C2 C1 1.515(22) . 1_555 N
C2 C3 1.346(17) . 1_555 N
C3 O3 1.401(20) . 1_555 N
C3 C2 1.346(17) . 1_555 N
C3 C4 1.410(22) . 1_555 N
C4 C3 1.410(22) . 1_555 N
C4 H 0.93(4) . 1_555 N
H C4 0.93(4) . 1_555 N
O2b C2a 1.18(9) . 1_555 N
C2a O2b 1.18(9) . 1_555 N
C2a O2a 1.12(7) . 1_555 N
O2a Zn 2.55(5) . 201_455 N
O2a C2a 1.12(7) . 1_555 N
O3b C3a 1.19(18) . 1_555 N
C3a O3b 1.19(18) . 1_555 N
C3a O3a 1.14(17) . 1_555 N
O3a C3a 1.14(17) . 1_555 N

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn O1 81.7(8) 1_555 . 103_554 N
O1 Zn O2 176.6(11) 1_555 . 202_554 N
O1 Zn O3 80.4(10) 1_555 . 1_555 N
O1 Zn O3 80.4(10) 1_555 . 202_555 N
O1 Zn O2 100.6(11) 103_554 . 202_554 N
O1 Zn O3 81.0(10) 103_554 . 1_555 N
O1 Zn O3 93.9(11) 103_554 . 202_555 N
O2 Zn O3 102.3(11) 202_554 . 1_555 N
O2 Zn O3 96.9(12) 202_554 . 202_555 N
O3 Zn O3 160.7(12) 1_555 . 202_555 N
Zn O1 Zn 89.6(8) 1_555 . 202_555 N
Zn O1 C1 135.2(20) 1_555 . 1_555 N
Zn O1 C1 133.8(18) 202_555 . 1_555 N
Zn O2 C1 120.1(14) 103_555 . 1_555 N
Zn O3 Zn 97.2(12) 1_555 . 103_554 N
Zn O3 C3 126.0(14) 1_555 . 1_555 N
Zn O3 C3 125.2(14) 103_554 . 1_555 N
O1 C1 O2 125.4(20) 1_555 . 1_555 N
O1 C1 C2 113.6(17) 1_555 . 1_555 N
O2 C1 C2 120.7(16) 1_555 . 1_555 N
C1 C2 C3 125.6(18) 1_555 . 1_555 N
O3 C3 C2 125.6(18) 1_555 . 1_555 N
O3 C3 C4 114.1(17) 1_555 . 1_555 N
C2 C3 C4 120.2(18) 1_555 . 1_555 N
C3 C4 H 116.8(26) 1_555 . 1_555 N
O2b C2a O2a 177(7) 1_555 . 1_555 N
O3b C3a O3a 177(16) 1_555 . 1_555 N

# Powder diffraction data for histogram 10
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details           
; ?
;

# start Validation Reply Form
_vrf_PLAT341_1P5CO2_ZN_RT_REMOVES_publ 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0275 Ang.  
RESPONSE: Lower precision is expected from powder data. However, there may be a bit of disorder associated with the ligand.
;
_vrf_PLAT601_1P5CO2_ZN_RT_REMOVES_publ 
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        192 Ang3  
RESPONSE: This material is very porous and was evacuated prior to dosing with CO2. At this loading, the pore channel remains somewhat evacuated.
;
# end Validation Reply Form

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions   
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.0785
_diffrn_source                   ?
_diffrn_source_type              ?
_diffrn_source_target            ?
_diffrn_measurement_device_type  BT1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector

_pd_meas_scan_method             ? # options are 'step', 'cont',
# 'tof', 'fixed' or
# 'disp' (= dispersive)
_pd_meas_special_details         
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection       ?
_computing_data_reduction        ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction     ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator  ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono          ?
_pd_instr_dist_mono/spec         ?
_pd_instr_dist_src/spec          ?
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_spec/detc         ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to
# equatorial plane

_pd_spec_size_equat              ? # parallel to
# scattering vector
# in transmission

_pd_spec_size_thick              ? # parallel to
# scattering vector
# in reflection

_pd_spec_mounting                
# This field should be
# used to give details of the
# container.
; ?
;

_pd_spec_mount_mode              ? # options are 'reflection'
# or 'transmission'

_pd_spec_shape                   ? # options are 'cylinder'
# 'flat_sheet' or 'irregular'


loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_length_neutron
_atom_type_scat_source
Zn 18.0 0.5680 International_Tables_Vol_C
O 76.429 0.5803 International_Tables_Vol_C
C 83.214 0.6646 International_Tables_Vol_C
H 18.0 -0.3739 International_Tables_Vol_C
_pd_proc_ls_prof_R_factor        0.0246
_pd_proc_ls_prof_wR_factor       0.0296
_pd_proc_ls_prof_wR_expected     0.0277
_refine_ls_R_Fsqd_factor         0.05421

_pd_proc_ls_background_function  
;   GSAS Background function number 1 with 12 terms.
 Shifted Chebyshev function of 1st kind
      1:    1203.92     2:   -217.022     3:    187.414     4:   -8.41670    
      5:    43.8099     6:   -17.2962     7:    49.6682     8:   -12.5971    
      9:    33.6792    10:   -10.0337    11:    17.3536    12:   -1.46181    
;

_exptl_absorpt_process_details   
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_T_max  1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min   1.00000
_gsas_exptl_extinct_corr_T_max   1.00000

_pd_proc_ls_profile_function     
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 #1(GU)   =  428.335 #2(GV)   = -279.332 #3(GW)   =  122.681
 #4(GP)   =    0.000 #5(LX)   =    0.000 #6(LY)   =   52.184
 #7(S/L)  =   0.0382 #8(H/L)  =   0.0288
 #9(trns) =     0.00 #10(shft)=   0.0000
 #11(stec)=     0.00 #12(ptec)=     0.00 #13(sfec)=     0.00
 #14(L11) =    0.000 #15(L22) =    0.000 #16(L33) =    0.000
 #17(L12) =    0.000 #18(L13) =    0.000 #19(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_info_datetime           2014-01-21T11:46:33
_pd_calc_method                  'Rietveld Refinement'

#---- raw/calc data loop -----
_pd_meas_2theta_range_min        1.5
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_inc        0.05
_pd_proc_2theta_range_min        1.5359
_pd_proc_2theta_range_max        166.2859
_pd_proc_2theta_range_inc        0.05

loop_
_pd_meas_intensity_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
17900(280) 0.0 3072. .
15620(270) 0.0 3052. .
13960(250) 0.0 3032. .
12000(230) 0.0 3013. .
10690(220) 0.0 2994. .
9470(210) 0.0 2975. .
8670(200) 0.0 2956. .
7450(180) 0.0 2938. .
6840(180) 0.0 2919. .
6120(170) 0.0 2901. .
5830(160) 0.0 2883. .
5490(160) 0.0 2865. .
5360(160) 0.0 2848. .
4760(150) 0.0 2830. .
4660(140) 0.0 2813. .
4430(140) 0.0 2796. .
4250(140) 0.0 2779. .
4260(140) 0.0 2762. .
4200(140) 0.0 2745. .
3750(130) 0.0 2729. .
3970(130) 0.0 2713. .
4040(130) 0.0 2697. .
3940(130) 0.0 2681. .
3670(130) 0.0 2665. .
3670(130) 0.0 2649. .
3600(130) 0.0 2634. .
3410(120) 0.0 2618. .
3650(130) 0.0 2603. .
3290(120) 0.0 2588. .
3070(120) 0.0 2573. .
3230(120) 0.0 2558. .
3240(120) 0.0 2544. .
3170(120) 0.0 2529. .
2940(110) 0.0 2515. .
2830(110) 0.0 2501. .
2980(120) 0.0 2487. .
2700(110) 0.0 2473. .
2670(110) 0.0 2459. .
2710(110) 0.0 2446. .
2680(110) 0.0 2432. .
2600(110) 0.0 2419. .
2490(110) 0.0 2406. .
2640(110) 0.0 2393. .
2660(110) 0.0 2380. .
2320(100) 0.0 2367. .
2460(100) 0.0 2354. .
2460(100) 0.0 2342. .
2310(100) 0.0 2330. .
2244(99) 0.0 2317. .
2370(100) 0.0 2305. .
2222(99) 0.0 2293. .
2360(100) 0.0 2281. .
2340(100) 0.0 2270. .
2300(100) 0.0 2258. .
2340(100) 0.0 2247. .
2217(99) 0.0 2235. .
2310(100) 0.0 2224. .
2186(98) 0.0 2213. .
2244(99) 0.0 2202. .
2270(100) 0.0 2191. .
2330(100) 0.0 2180. .
2109(96) 0.0 2170. .
1947(92) 0.0 2159. .
2123(97) 0.0 2149. .
2235(99) 0.0 2139. .
2195(98) 0.0 2128. .
2091(96) 0.0 2118. .
1911(91) 0.0 2108. .
2082(96) 0.0 2098. .
1992(93) 0.0 2089. .
1713(86) 0.0 2079. .
2195(98) 0.0 2070. .
1893(91) 0.0 2060. .
1889(91) 0.0 2051. .
2114(96) 0.0 2042. .
1794(89) 0.0 2033. .
2109(96) 0.0 2023. .
1988(93) 0.0 2015. .
1925(92) 0.0 2006. .
1997(94) 0.0 1997. .
1929(92) 0.0 1988. .
1830(89) 0.0 1980. .
1965(93) 0.0 1972. .
1929(92) 0.0 1963. .
1902(91) 0.0 1955. .
1997(94) 0.0 1947. .
2024(94) 0.0 1939. .
1686(86) 0.0 1931. .
1763(88) 0.0 1923. .
1929(92) 0.0 1915. .
1650(85) 0.0 1908. .
1889(91) 0.0 1900. .
1943(92) 0.0 1892. .
1853(90) 0.0 1885. .
1848(90) 0.0 1878. .
1745(87) 0.0 1871. .
1929(92) 0.0 1863. .
1817(89) 0.0 1856. .
1713(86) 0.0 1849. .
1866(90) 0.0 1842. .
2055(66) 0.0 1836. .
1932(64) 0.0 1829. .
1861(62) 0.0 1822. .
1986(65) 0.0 1816. .
1912(63) 0.0 1809. .
1791(61) 0.0002687 1803. 1803.
1876(63) 0.0002520 1796. 1813.
1890(63) 0.0002520 1790. 1807.
1818(62) 0.0002601 1784. 1802.
1897(63) 0.0002520 1778. 1796.
1816(62) 0.0002601 1772. 1791.
1977(64) 0.0002441 1766. 1786.
1748(60) 0.0002778 1760. 1782.
1795(61) 0.0002687 1754. 1777.
1745(60) 0.0002778 1748. 1772.
1691(59) 0.0002873 1743. 1768.
1780(61) 0.0002687 1737. 1764.
1761(61) 0.0002687 1731. 1760.
1659(59) 0.0002873 1726. 1757.
1646(59) 0.0002873 1721. 1753.
1738(60) 0.0002778 1715. 1750.
1668(59) 0.0002873 1710. 1747.
1632(58) 0.0002973 1705. 1745.
1674(59) 0.0002873 1700. 1743.
1686(59) 0.0002873 1695. 1741.
1736(60) 0.0002778 1690. 1740.
1815(62) 0.0002601 1685. 1740.
1697(59) 0.0002873 1680. 1740.
1729(60) 0.0002778 1675. 1741.
1766(61) 0.0002687 1670. 1743.
1787(61) 0.0002687 1665. 1747.
1826(62) 0.0002601 1661. 1753.
1880(63) 0.0002520 1656. 1763.
1879(63) 0.0002520 1652. 1780.
2031(65) 0.0002367 1647. 1814.
2072(66) 0.0002296 1643. 1878.
2290(69) 0.0002100 1638. 1989.
2429(72) 0.0001929 1634. 2164.
2621(74) 0.0001826 1630. 2417.
2963(79) 0.0001602 1626. 2750.
3156(82) 0.0001487 1622. 3161.
3541(87) 0.0001321 1618. 3649.
3880(91) 0.0001208 1614. 4218.
4627(99) 0.0001020 1610. 4881.
5370(110) 0.0000873 1606. 5666.
6300(120) 0.0000743 1602. 6615.
7630(130) 0.0000610 1598. 7803.
9110(140) 0.0000510 1594. 9349.
11620(160) 0.0000401 1591. 11415.
14770(180) 0.0000316 1587. 14118.
17690(200) 0.0000263 1583. 17325.
20470(210) 0.0000227 1580. 20392.
22070(220) 0.0000210 1576. 22165.
20890(210) 0.0000222 1573. 21476.
18160(200) 0.0000258 1570. 18091.
13410(170) 0.0000350 1566. 13244.
8650(140) 0.0000541 1563. 8647.
5200(110) 0.0000907 1560. 5322.
3318(84) 0.0001417 1556. 3391.
2229(68) 0.0002163 1553. 2460.
1976(64) 0.0002441 1550. 2064.
1784(61) 0.0002687 1547. 1899.
1607(58) 0.0002973 1544. 1817.
1632(58) 0.0002973 1541. 1766.
1587(57) 0.0003078 1538. 1728.
1583(57) 0.0003078 1535. 1698.
1586(57) 0.0003078 1532. 1674.
1548(57) 0.0003078 1529. 1653.
1532(56) 0.0003189 1527. 1636.
1533(56) 0.0003189 1524. 1621.
1504(56) 0.0003189 1521. 1608.
1607(58) 0.0002973 1519. 1597.
1561(57) 0.0003078 1516. 1587.
1457(55) 0.0003306 1513. 1578.
1446(55) 0.0003306 1511. 1570.
1576(57) 0.0003078 1508. 1563.
1576(57) 0.0003078 1506. 1556.
1550(57) 0.0003078 1503. 1550.
1481(55) 0.0003306 1501. 1544.
1493(56) 0.0003189 1499. 1538.
1495(56) 0.0003189 1496. 1533.
1505(56) 0.0003189 1494. 1529.
1540(57) 0.0003078 1492. 1524.
1529(56) 0.0003189 1490. 1520.
1587(57) 0.0003078 1487. 1516.
1538(57) 0.0003078 1485. 1512.
1507(56) 0.0003189 1483. 1509.
1557(57) 0.0003078 1481. 1505.
1577(57) 0.0003078 1479. 1502.
1541(57) 0.0003078 1477. 1499.
1485(56) 0.0003189 1475. 1495.
1510(56) 0.0003189 1473. 1492.
1530(56) 0.0003189 1471. 1490.
1595(58) 0.0002973 1469. 1487.
1441(55) 0.0003306 1467. 1484.
1410(54) 0.0003429 1465. 1482.
1468(76) 0.0001731 1464. 1479.
1519(78) 0.0001644 1462. 1477.
1535(78) 0.0001644 1460. 1474.
1489(77) 0.0001687 1458. 1472.
1566(57) 0.0003078 1457. 1470.
1568(57) 0.0003078 1455. 1468.
1465(55) 0.0003306 1453. 1465.
1455(55) 0.0003306 1452. 1463.
1528(56) 0.0003189 1450. 1461.
1452(55) 0.0003306 1449. 1459.
1462(55) 0.0003306 1447. 1457.
1464(55) 0.0003306 1446. 1456.
1496(56) 0.0003189 1444. 1454.
1444(55) 0.0003306 1443. 1452.
1448(55) 0.0003306 1441. 1450.
1433(55) 0.0003306 1440. 1449.
1402(54) 0.0003429 1439. 1447.
1461(55) 0.0003306 1437. 1445.
1382(54) 0.0003429 1436. 1444.
1463(55) 0.0003306 1435. 1442.
1408(54) 0.0003429 1433. 1441.
1447(55) 0.0003306 1432. 1439.
1539(57) 0.0003078 1431. 1438.
1503(56) 0.0003189 1430. 1436.
1409(54) 0.0003429 1428. 1435.
1426(54) 0.0003429 1427. 1433.
1436(55) 0.0003306 1426. 1432.
1394(54) 0.0003429 1425. 1431.
1478(55) 0.0003306 1424. 1430.
1445(55) 0.0003306 1423. 1428.
1418(54) 0.0003429 1422. 1427.
1452(55) 0.0003306 1421. 1426.
1470(55) 0.0003306 1420. 1425.
1421(54) 0.0003429 1419. 1424.
1356(53) 0.000356 1418. 1422.
1350(53) 0.000356 1417. 1421.
1445(55) 0.0003306 1416. 1420.
1509(56) 0.0003189 1415. 1419.
1416(54) 0.0003429 1414. 1418.
1459(55) 0.0003306 1413. 1419.
1457(55) 0.0003306 1412. 1418.
1360(53) 0.000356 1411. 1417.
1448(55) 0.0003306 1410. 1416.
1425(54) 0.0003429 1409. 1416.
1399(54) 0.0003429 1409. 1415.
1385(54) 0.0003429 1408. 1414.
1473(55) 0.0003306 1407. 1413.
1412(54) 0.0003429 1406. 1413.
1441(55) 0.0003306 1406. 1412.
1398(54) 0.0003429 1405. 1411.
1427(54) 0.0003429 1404. 1410.
1485(56) 0.0003189 1403. 1410.
1464(55) 0.0003306 1403. 1409.
1403(54) 0.0003429 1402. 1409.
1416(54) 0.0003429 1401. 1408.
1440(55) 0.0003306 1401. 1408.
1422(54) 0.0003429 1400. 1407.
1419(54) 0.0003429 1399. 1407.
1467(55) 0.0003306 1399. 1406.
1408(54) 0.0003429 1398. 1406.
1410(54) 0.0003429 1398. 1406.
1393(54) 0.0003429 1397. 1405.
1415(54) 0.0003429 1396. 1405.
1441(55) 0.0003306 1396. 1405.
1412(54) 0.0003429 1395. 1405.
1354(53) 0.000356 1395. 1405.
1386(54) 0.0003429 1394. 1405.
1397(54) 0.0003429 1394. 1405.
1479(55) 0.0003306 1393. 1405.
1422(54) 0.0003429 1393. 1406.
1394(54) 0.0003429 1392. 1406.
1430(55) 0.0003306 1392. 1407.
1402(54) 0.0003429 1392. 1408.
1359(53) 0.000356 1391. 1409.
1451(55) 0.0003306 1391. 1411.
1514(56) 0.0003189 1390. 1412.
1379(53) 0.000356 1390. 1415.
1356(53) 0.000356 1389. 1418.
1431(55) 0.0003306 1389. 1422.
1508(56) 0.0003189 1389. 1428.
1532(56) 0.0003189 1388. 1437.
1518(56) 0.0003189 1388. 1453.
1495(56) 0.0003189 1388. 1480.
1629(58) 0.0002973 1387. 1526.
1754(61) 0.0002687 1387. 1600.
1937(64) 0.0002441 1387. 1712.
2037(65) 0.0002367 1386. 1874.
2255(69) 0.0002100 1386. 2101.
2621(74) 0.0001826 1386. 2408.
2916(79) 0.0001602 1385. 2797.
3160(82) 0.0001487 1385. 3225.
3656(88) 0.0001291 1385. 3588.
3574(87) 0.0001321 1385. 3735.
3327(84) 0.0001417 1384. 3549.
2878(78) 0.0001644 1384. 3080.
2336(70) 0.0002041 1384. 2527.
1849(62) 0.0002601 1384. 2064.
1643(59) 0.0002873 1383. 1756.
1456(55) 0.0003306 1383. 1585.
1453(55) 0.0003306 1383. 1502.
1395(78) 0.0001644 1383. 1464.
1372(52) 0.000370 1382. 1444.
1410(53) 0.000356 1382. 1433.
1446(54) 0.0003429 1382. 1425.
1399(53) 0.000356 1382. 1419.
1395(53) 0.000356 1382. 1414.
1453(54) 0.0003429 1381. 1410.
1390(53) 0.000356 1381. 1407.
1411(53) 0.000356 1381. 1404.
1403(53) 0.000356 1381. 1402.
1383(52) 0.000370 1381. 1400.
1391(53) 0.000356 1381. 1399.
1409(53) 0.000356 1380. 1398.
1369(52) 0.000370 1380. 1396.
1402(53) 0.000356 1380. 1396.
1450(54) 0.0003429 1380. 1395.
1488(54) 0.0003429 1380. 1394.
1486(54) 0.0003429 1380. 1394.
1397(53) 0.000356 1380. 1394.
1389(53) 0.000356 1380. 1394.
1370(52) 0.000370 1379. 1394.
1348(52) 0.000370 1379. 1394.
1313(51) 0.000384 1379. 1394.
1356(52) 0.000370 1379. 1396.
1405(53) 0.000356 1379. 1397.
1414(53) 0.000356 1379. 1398.
1432(53) 0.000356 1379. 1400.
1336(51) 0.000384 1379. 1402.
1334(51) 0.000384 1379. 1406.
1423(53) 0.000356 1378. 1412.
1451(54) 0.0003429 1378. 1422.
1505(55) 0.0003306 1378. 1438.
1438(53) 0.000356 1378. 1466.
1572(56) 0.0003189 1378. 1510.
1674(58) 0.0002973 1378. 1577.
1780(60) 0.0002778 1378. 1673.
1904(62) 0.0002601 1378. 1800.
2070(65) 0.0002367 1378. 1951.
2222(67) 0.0002228 1378. 2101.
2278(68) 0.0002163 1378. 2215.
2255(67) 0.0002228 1378. 2259.
2060(64) 0.0002441 1378. 2228.
2006(64) 0.0002441 1378. 2135.
1918(62) 0.0002601 1377. 1991.
1735(59) 0.0002873 1377. 1822.
1657(58) 0.0002973 1377. 1668.
1630(57) 0.0003078 1377. 1554.
1430(53) 0.000356 1377. 1482.
1418(53) 0.000356 1377. 1442.
1429(53) 0.000356 1377. 1422.
1401(53) 0.000356 1377. 1412.
1391(53) 0.000356 1377. 1406.
1387(52) 0.000370 1377. 1403.
1473(54) 0.0003429 1377. 1400.
1441(54) 0.0003429 1377. 1398.
1447(54) 0.0003429 1377. 1396.
1406(53) 0.000356 1377. 1395.
1408(53) 0.000356 1377. 1394.
1403(53) 0.000356 1377. 1394.
1317(51) 0.000384 1377. 1394.
1363(52) 0.000370 1377. 1393.
1312(51) 0.000384 1377. 1393.
1405(53) 0.000356 1377. 1394.
1343(52) 0.000370 1376. 1394.
1377(52) 0.000370 1376. 1395.
1346(52) 0.000370 1376. 1396.
1335(51) 0.000384 1376. 1397.
1392(53) 0.000356 1376. 1399.
1442(54) 0.0003429 1376. 1401.
1388(53) 0.000356 1376. 1404.
1437(53) 0.000356 1376. 1407.
1425(53) 0.000356 1376. 1412.
1504(55) 0.0003306 1376. 1418.
1463(54) 0.0003429 1376. 1428.
1403(53) 0.000356 1376. 1445.
1421(53) 0.000356 1376. 1474.
1432(53) 0.000356 1376. 1524.
1564(56) 0.0003189 1376. 1608.
1745(59) 0.0002873 1376. 1741.
1806(60) 0.0002778 1376. 1939.
2050(64) 0.0002441 1376. 2203.
2480(71) 0.0001984 1376. 2511.
2710(74) 0.0001826 1376. 2796.
2884(76) 0.0001731 1376. 2957.
2860(76) 0.0001731 1376. 2897.
2603(72) 0.0001929 1375. 2618.
2314(68) 0.0002163 1375. 2251.
2109(65) 0.0002367 1375. 1924.
1893(62) 0.0002601 1375. 1693.
1695(58) 0.0002973 1375. 1556.
1507(55) 0.0003306 1375. 1485.
1518(55) 0.0003306 1375. 1450.
1466(54) 0.0003429 1375. 1431.
1453(54) 0.0003429 1375. 1420.
1419(53) 0.000356 1375. 1413.
1437(53) 0.000356 1375. 1407.
1415(53) 0.000356 1375. 1403.
1378(52) 0.000370 1375. 1399.
1375(52) 0.000370 1375. 1397.
1385(52) 0.000370 1375. 1394.
1435(51) 0.000384 1375. 1392.
1374(49) 0.000416 1374. 1391.
1293(48) 0.000434 1374. 1391.
1376(50) 0.000400 1374. 1389.
1469(51) 0.000384 1374. 1389.
1464(51) 0.000384 1374. 1388.
1466(51) 0.000384 1374. 1387.
1423(50) 0.000400 1374. 1387.
1394(50) 0.000400 1374. 1386.
1444(51) 0.000384 1374. 1386.
1511(52) 0.000370 1374. 1386.
1543(53) 0.000356 1374. 1386.
1522(52) 0.000370 1374. 1386.
1433(51) 0.000384 1373. 1387.
1415(50) 0.000400 1373. 1388.
1417(50) 0.000400 1373. 1390.
1349(49) 0.000416 1373. 1395.
1369(49) 0.000416 1373. 1402.
1361(49) 0.000416 1373. 1415.
1423(50) 0.000400 1373. 1435.
1387(50) 0.000400 1373. 1463.
1447(51) 0.000384 1373. 1497.
1456(51) 0.000384 1373. 1531.
1548(53) 0.000356 1372. 1554.
1533(52) 0.000370 1372. 1554.
1534(52) 0.000370 1372. 1527.
1419(50) 0.000400 1372. 1487.
1348(49) 0.000416 1372. 1450.
1383(50) 0.000400 1372. 1421.
1403(50) 0.000400 1372. 1404.
1358(49) 0.000416 1372. 1394.
1359(49) 0.000416 1372. 1389.
1361(49) 0.000416 1371. 1387.
1318(48) 0.000434 1371. 1386.
1374(49) 0.000416 1371. 1385.
1394(50) 0.000400 1371. 1384.
1329(49) 0.000416 1371. 1384.
1344(49) 0.000416 1371. 1384.
1331(49) 0.000416 1371. 1384.
1292(48) 0.000434 1370. 1384.
1223(47) 0.000453 1370. 1385.
1344(49) 0.000416 1370. 1385.
1373(49) 0.000416 1370. 1386.
1372(49) 0.000416 1370. 1387.
1337(49) 0.000416 1370. 1388.
1308(48) 0.000434 1370. 1389.
1423(50) 0.000400 1369. 1391.
1419(50) 0.000400 1369. 1393.
1382(50) 0.000400 1369. 1395.
1389(50) 0.000400 1369. 1398.
1309(48) 0.000434 1369. 1402.
1398(50) 0.000400 1369. 1407.
1393(50) 0.000400 1368. 1414.
1462(51) 0.000384 1368. 1424.
1456(51) 0.000384 1368. 1440.
1472(51) 0.000384 1368. 1466.
1613(54) 0.0003429 1368. 1513.
1674(55) 0.0003306 1368. 1595.
1711(55) 0.0003306 1367. 1730.
1902(59) 0.0002873 1367. 1933.
2216(63) 0.0002520 1367. 2201.
2538(68) 0.0002163 1367. 2500.
2777(71) 0.0001984 1367. 2752.
2911(73) 0.0001877 1366. 2853.
2785(71) 0.0001984 1366. 2730.
2515(68) 0.0002163 1366. 2435.
2143(62) 0.0002601 1366. 2101.
1938(59) 0.0002873 1366. 1827.
1632(54) 0.0003429 1365. 1641.
1351(49) 0.000416 1365. 1532.
1349(49) 0.000416 1365. 1475.
1384(50) 0.000400 1365. 1446.
1387(50) 0.000400 1365. 1429.
1363(49) 0.000416 1364. 1419.
1428(51) 0.000384 1364. 1412.
1363(49) 0.000416 1364. 1406.
1309(48) 0.000434 1364. 1402.
1261(47) 0.000453 1364. 1399.
1368(49) 0.000416 1363. 1397.
1362(49) 0.000416 1363. 1396.
1351(49) 0.000416 1363. 1395.
1303(48) 0.000434 1363. 1395.
1292(48) 0.000434 1362. 1395.
1372(49) 0.000416 1362. 1397.
1398(50) 0.000400 1362. 1399.
1344(49) 0.000416 1362. 1402.
1373(49) 0.000416 1361. 1409.
1306(48) 0.000434 1361. 1420.
1392(50) 0.000400 1361. 1439.
1467(51) 0.000384 1361. 1474.
1504(52) 0.000370 1360. 1535.
1509(52) 0.000370 1360. 1628.
1689(55) 0.0003306 1360. 1756.
1768(56) 0.0003189 1360. 1905.
1891(58) 0.0002973 1359. 2045.
2074(61) 0.0002687 1359. 2120.
2097(62) 0.0002601 1359. 2086.
1831(57) 0.0003078 1359. 1952.
1711(55) 0.0003306 1358. 1783.
1677(55) 0.0003306 1358. 1636.
1531(52) 0.000370 1358. 1531.
1473(51) 0.000384 1357. 1467.
1485(51) 0.000384 1357. 1432.
1407(50) 0.000400 1357. 1414.
1383(49) 0.000416 1357. 1404.
1438(50) 0.000400 1356. 1399.
1430(50) 0.000400 1356. 1395.
1406(50) 0.000400 1356. 1392.
1443(50) 0.000400 1355. 1391.
1353(48) 0.000434 1355. 1390.
1326(48) 0.000434 1355. 1390.
1350(48) 0.000434 1355. 1391.
1374(49) 0.000416 1354. 1392.
1431(50) 0.000400 1354. 1394.
1502(51) 0.000384 1354. 1397.
1435(50) 0.000400 1353. 1401.
1441(50) 0.000400 1353. 1407.
1439(50) 0.000400 1353. 1414.
1442(50) 0.000400 1352. 1425.
1458(50) 0.000400 1352. 1441.
1529(52) 0.000370 1352. 1469.
1578(53) 0.000356 1351. 1517.
1598(53) 0.000356 1351. 1600.
1645(54) 0.0003429 1351. 1740.
1928(58) 0.0002973 1351. 1952.
2149(62) 0.0002601 1350. 2238.
2447(66) 0.0002296 1350. 2565.
2742(70) 0.0002041 1350. 2858.
2838(71) 0.0001984 1349. 3006.
2899(72) 0.0001929 1349. 2934.
2779(71) 0.0001984 1349. 2680.
2535(67) 0.0002228 1348. 2350.
2090(61) 0.0002687 1348. 2035.
1896(58) 0.0002973 1348. 1790.
1671(54) 0.0003429 1347. 1626.
1584(53) 0.000356 1347. 1527.
1452(50) 0.000400 1347. 1470.
1404(49) 0.000416 1346. 1439.
1366(49) 0.000416 1346. 1419.
1416(50) 0.000400 1345. 1407.
1395(49) 0.000416 1345. 1398.
1365(49) 0.000416 1345. 1391.
1350(48) 0.000434 1344. 1386.
1427(50) 0.000400 1344. 1382.
1409(50) 0.000400 1344. 1378.
1412(50) 0.000400 1343. 1376.
1461(50) 0.000400 1343. 1374.
1473(51) 0.000384 1343. 1373.
1385(49) 0.000416 1342. 1372.
1381(49) 0.000416 1342. 1373.
1355(49) 0.000416 1342. 1374.
1500(51) 0.000384 1341. 1379.
1348(48) 0.000434 1341. 1388.
1334(48) 0.000434 1340. 1404.
1430(50) 0.000400 1340. 1433.
1488(51) 0.000384 1340. 1476.
1403(49) 0.000416 1339. 1533.
1577(53) 0.000356 1339. 1595.
1614(53) 0.000356 1339. 1644.
1578(53) 0.000356 1338. 1658.
1631(54) 0.0003429 1338. 1624.
1612(53) 0.000356 1337. 1560.
1518(52) 0.000370 1337. 1493.
1419(50) 0.000400 1337. 1438.
1410(50) 0.000400 1336. 1401.
1385(49) 0.000416 1336. 1379.
1421(50) 0.000400 1335. 1366.
1410(50) 0.000400 1335. 1359.
1449(50) 0.000400 1335. 1355.
1403(49) 0.000416 1334. 1354.
1363(49) 0.000416 1334. 1351.
1385(49) 0.000416 1334. 1349.
1447(50) 0.000400 1333. 1348.
1441(50) 0.000400 1333. 1346.
1453(50) 0.000400 1332. 1345.
1534(52) 0.000370 1332. 1344.
1481(51) 0.000384 1332. 1343.
1403(49) 0.000416 1331. 1342.
1339(48) 0.000434 1331. 1341.
1326(48) 0.000434 1330. 1341.
1313(48) 0.000434 1330. 1340.
1293(47) 0.000453 1329. 1339.
1362(49) 0.000416 1329. 1339.
1423(50) 0.000400 1329. 1338.
1361(49) 0.000416 1328. 1338.
1339(48) 0.000434 1328. 1337.
1347(48) 0.000434 1327. 1337.
1350(48) 0.000434 1327. 1337.
1312(48) 0.000434 1327. 1336.
1333(48) 0.000434 1326. 1336.
1264(47) 0.000453 1326. 1336.
1315(48) 0.000434 1325. 1336.
1379(49) 0.000416 1325. 1335.
1328(48) 0.000434 1325. 1336.
1330(48) 0.000434 1324. 1336.
1347(48) 0.000434 1324. 1336.
1324(48) 0.000434 1323. 1336.
1315(48) 0.000434 1323. 1336.
1326(48) 0.000434 1322. 1336.
1312(48) 0.000434 1322. 1337.
1348(47) 0.000453 1322. 1337.
1321(46) 0.000473 1321. 1338.
1312(46) 0.000473 1321. 1338.
1382(47) 0.000453 1320. 1339.
1332(46) 0.000473 1320. 1340.
1373(47) 0.000453 1319. 1342.
1326(46) 0.000473 1319. 1344.
1334(46) 0.000473 1319. 1346.
1335(47) 0.000453 1318. 1350.
1367(47) 0.000453 1318. 1355.
1385(47) 0.000453 1317. 1364.
1427(48) 0.000434 1317. 1378.
1452(49) 0.000416 1316. 1402.
1443(48) 0.000434 1316. 1440.
1497(49) 0.000416 1316. 1497.
1646(52) 0.000370 1315. 1571.
1721(53) 0.000356 1315. 1652.
1757(54) 0.0003429 1314. 1720.
1806(55) 0.0003306 1314. 1752.
1835(55) 0.0003306 1313. 1730.
1749(54) 0.0003429 1313. 1659.
1615(51) 0.000384 1313. 1572.
1543(50) 0.000400 1312. 1496.
1394(48) 0.000434 1312. 1440.
1332(46) 0.000473 1311. 1405.
1365(47) 0.000453 1311. 1386.
1300(46) 0.000473 1310. 1376.
1406(48) 0.000434 1310. 1372.
1333(46) 0.000473 1309. 1371.
1367(47) 0.000453 1309. 1372.
1349(47) 0.000453 1309. 1375.
1372(47) 0.000453 1308. 1380.
1417(48) 0.000434 1308. 1387.
1488(49) 0.000416 1307. 1396.
1555(50) 0.000400 1307. 1408.
1565(51) 0.000384 1306. 1426.
1667(52) 0.000370 1306. 1451.
1726(53) 0.000356 1305. 1492.
1815(55) 0.0003306 1305. 1560.
1816(55) 0.0003306 1305. 1674.
1853(55) 0.0003306 1304. 1860.
2061(58) 0.0002973 1304. 2141.
2508(65) 0.0002367 1303. 2521.
2852(69) 0.0002100 1303. 2960.
3241(74) 0.0001826 1302. 3360.
3541(77) 0.0001687 1302. 3588.
3536(77) 0.0001687 1301. 3533.
3175(73) 0.0001877 1301. 3189.
2699(67) 0.0002228 1301. 2716.
2228(61) 0.0002687 1300. 2276.
1899(56) 0.0003189 1300. 1942.
1637(52) 0.000370 1299. 1719.
1536(50) 0.000400 1299. 1585.
1467(49) 0.000416 1298. 1509.
1346(47) 0.000453 1298. 1466.
1415(48) 0.000434 1297. 1440.
1438(48) 0.000434 1297. 1424.
1378(47) 0.000453 1296. 1413.
1414(48) 0.000434 1296. 1407.
1443(48) 0.000434 1296. 1406.
1354(47) 0.000453 1295. 1408.
1363(47) 0.000453 1295. 1416.
1379(47) 0.000453 1294. 1434.
1381(47) 0.000453 1294. 1467.
1438(48) 0.000434 1293. 1527.
1486(49) 0.000416 1293. 1629.
1653(52) 0.000370 1292. 1785.
1840(55) 0.0003306 1292. 1999.
2157(60) 0.0002778 1292. 2243.
2483(64) 0.0002441 1291. 2457.
2684(67) 0.0002228 1291. 2559.
2663(67) 0.0002228 1290. 2483.
2345(62) 0.0002601 1290. 2261.
2024(58) 0.0002973 1289. 1999.
1806(55) 0.0003306 1289. 1772.
1632(52) 0.000370 1288. 1607.
1560(51) 0.000384 1288. 1499.
1506(50) 0.000400 1288. 1434.
1480(49) 0.000416 1287. 1396.
1494(49) 0.000416 1287. 1373.
1477(49) 0.000416 1286. 1358.
1395(48) 0.000434 1286. 1348.
1468(49) 0.000416 1285. 1340.
1460(49) 0.000416 1285. 1333.
1376(47) 0.000453 1284. 1328.
1375(47) 0.000453 1284. 1325.
1318(46) 0.000473 1283. 1323.
1296(46) 0.000473 1283. 1322.
1344(47) 0.000453 1283. 1323.
1318(46) 0.000473 1282. 1324.
1333(46) 0.000473 1282. 1324.
1303(46) 0.000473 1281. 1323.
1291(46) 0.000473 1281. 1319.
1337(47) 0.000453 1280. 1314.
1332(46) 0.000473 1280. 1309.
1348(47) 0.000453 1279. 1305.
1305(46) 0.000473 1279. 1302.
1311(46) 0.000473 1279. 1300.
1328(46) 0.000473 1278. 1299.
1290(46) 0.000473 1278. 1298.
1301(36) 0.000772 1277. 1297.
1268(42) 0.000567 1277. 1297.
1271(42) 0.000567 1276. 1297.
1273(42) 0.000567 1276. 1297.
1274(42) 0.000567 1276. 1298.
1256(42) 0.000567 1275. 1299.
1284(43) 0.000541 1275. 1301.
1263(42) 0.000567 1274. 1303.
1258(42) 0.000567 1274. 1307.
1255(42) 0.000567 1273. 1312.
1243(42) 0.000567 1273. 1321.
1261(42) 0.000567 1272. 1335.
1294(43) 0.000541 1272. 1355.
1322(43) 0.000541 1272. 1382.
1385(44) 0.000517 1271. 1417.
1431(45) 0.000494 1271. 1459.
1428(45) 0.000494 1270. 1511.
1549(47) 0.000453 1270. 1577.
1555(47) 0.000453 1269. 1653.
1577(47) 0.000453 1269. 1717.
1717(49) 0.000416 1269. 1731.
1769(50) 0.000400 1268. 1685.
1679(49) 0.000416 1268. 1602.
1506(46) 0.000473 1267. 1513.
1473(46) 0.000473 1267. 1438.
1429(45) 0.000494 1266. 1383.
1434(45) 0.000494 1266. 1346.
1381(44) 0.000517 1266. 1324.
1360(44) 0.000517 1265. 1310.
1385(44) 0.000517 1265. 1302.
1434(45) 0.000494 1264. 1297.
1363(44) 0.000517 1264. 1293.
1331(43) 0.000541 1263. 1291.
1328(43) 0.000541 1263. 1291.
1334(44) 0.000517 1263. 1293.
1371(44) 0.000517 1262. 1297.
1319(43) 0.000541 1262. 1304.
1304(43) 0.000541 1261. 1313.
1301(43) 0.000541 1261. 1321.
1303(43) 0.000541 1260. 1324.
1287(43) 0.000541 1260. 1319.
1306(43) 0.000541 1260. 1308.
1243(42) 0.000567 1259. 1297.
1298(43) 0.000541 1259. 1288.
1279(43) 0.000541 1258. 1281.
1198(41) 0.000595 1258. 1277.
1258(42) 0.000567 1257. 1274.
1244(42) 0.000567 1257. 1272.
1238(42) 0.000567 1257. 1271.
1293(43) 0.000541 1256. 1270.
1312(43) 0.000541 1256. 1269.
1295(43) 0.000541 1255. 1269.
1342(44) 0.000517 1255. 1268.
1309(43) 0.000541 1255. 1268.
1268(42) 0.000567 1254. 1268.
1251(42) 0.000567 1254. 1268.
1287(43) 0.000541 1253. 1268.
1259(42) 0.000567 1253. 1268.
1258(42) 0.000567 1253. 1268.
1270(42) 0.000567 1252. 1269.
1227(42) 0.000567 1252. 1271.
1216(41) 0.000595 1251. 1273.
1266(42) 0.000567 1251. 1278.
1329(43) 0.000541 1250. 1284.
1263(42) 0.000567 1250. 1293.
1253(42) 0.000567 1250. 1304.
1345(44) 0.000517 1249. 1314.
1331(43) 0.000541 1249. 1320.
1251(42) 0.000567 1248. 1317.
1244(42) 0.000567 1248. 1309.
1281(43) 0.000541 1248. 1300.
1289(43) 0.000541 1247. 1293.
1264(42) 0.000567 1247. 1288.
1265(42) 0.000567 1246. 1286.
1235(42) 0.000567 1246. 1286.
1288(43) 0.000541 1246. 1288.
1297(43) 0.000541 1245. 1292.
1315(43) 0.000541 1245. 1299.
1262(42) 0.000567 1244. 1309.
1353(44) 0.000517 1244. 1325.
1408(45) 0.000494 1244. 1350.
1358(44) 0.000517 1243. 1388.
1384(44) 0.000517 1243. 1443.
1471(46) 0.000473 1243. 1513.
1522(47) 0.000453 1242. 1594.
1657(49) 0.000416 1242. 1670.
1616(48) 0.000434 1241. 1723.
1582(47) 0.000453 1241. 1760.
1596(48) 0.000434 1241. 1811.
1781(50) 0.000400 1240. 1892.
1913(52) 0.000370 1240. 1990.
2037(54) 0.0003429 1239. 2057.
2052(54) 0.0003429 1239. 2033.
1998(53) 0.000356 1239. 1916.
1807(51) 0.000384 1238. 1761.
1652(49) 0.000416 1238. 1617.
1566(47) 0.000453 1238. 1503.
1417(45) 0.000494 1237. 1423.
1322(43) 0.000541 1237. 1371.
1322(43) 0.000541 1236. 1339.
1265(40) 0.000625 1236. 1320.
1284(40) 0.000625 1236. 1308.
1277(40) 0.000625 1235. 1301.
1347(41) 0.000595 1235. 1298.
1234(39) 0.000657 1235. 1297.
1273(40) 0.000625 1234. 1300.
1272(40) 0.000625 1234. 1307.
1248(40) 0.000625 1233. 1317.
1352(41) 0.000595 1233. 1330.
1294(40) 0.000625 1233. 1345.
1283(40) 0.000625 1232. 1362.
1318(41) 0.000595 1232. 1380.
1366(42) 0.000567 1232. 1390.
1307(41) 0.000595 1231. 1385.
1300(41) 0.000595 1231. 1366.
1264(40) 0.000625 1230. 1343.
1352(41) 0.000595 1230. 1323.
1270(40) 0.000625 1230. 1307.
1274(40) 0.000625 1229. 1298.
1215(39) 0.000657 1229. 1294.
1261(40) 0.000625 1229. 1294.
1319(41) 0.000595 1228. 1298.
1308(41) 0.000595 1228. 1305.
1321(41) 0.000595 1228. 1317.
1307(41) 0.000595 1227. 1336.
1290(40) 0.000625 1227. 1365.
1376(42) 0.000567 1226. 1409.
1422(42) 0.000567 1226. 1471.
1520(44) 0.000517 1226. 1555.
1602(45) 0.000494 1225. 1661.
1694(46) 0.000473 1225. 1781.
1779(48) 0.000434 1225. 1912.
1994(50) 0.000400 1224. 2056.
2204(53) 0.000356 1224. 2199.
2304(54) 0.0003429 1224. 2289.
2332(55) 0.0003306 1223. 2269.
2284(54) 0.0003429 1223. 2137.
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1709(47) 0.000453 1222. 1604.
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1203(39) 0.000657 1216. 1233.
1171(38) 0.000693 1215. 1232.
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1266(40) 0.000625 1204. 1327.
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1360(42) 0.000567 1203. 1333.
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1346(39) 0.000657 1202. 1284.
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1265(38) 0.000693 1202. 1255.
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1339(39) 0.000657 1199. 1371.
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1323(39) 0.000657 1197. 1359.
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1260(38) 0.000693 1193. 1255.
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1328(39) 0.000657 1182. 1338.
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1405(40) 0.000625 1181. 1417.
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1391(40) 0.000625 1180. 1415.
1374(39) 0.000657 1180. 1375.
1360(39) 0.000657 1180. 1334.
1259(38) 0.000693 1180. 1299.
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1332(39) 0.000657 1176. 1304.
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1206(35) 0.000816 1174.0 1223.7
1188(35) 0.000816 1173.8 1223.8
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1252(36) 0.000772 1173. 1234.
1177(35) 0.000816 1173.0 1245.3
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1303(37) 0.000730 1173. 1289.
1313(37) 0.000730 1172. 1322.
1437(39) 0.000657 1172. 1362.
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1377(38) 0.000693 1171. 1354.
1330(37) 0.000730 1170. 1320.
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1476(39) 0.000657 1168. 1480.
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1235(36) 0.000772 1165. 1254.
1175(35) 0.000816 1165.1 1248.8
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1351(37) 0.000730 1163. 1370.
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1315(37) 0.000730 1161. 1312.
1353(37) 0.000730 1161. 1337.
1361(38) 0.000693 1160. 1363.
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1329(37) 0.000730 1159. 1300.
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1341(37) 0.000730 1157. 1247.
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1384(38) 0.000693 1156. 1320.
1447(39) 0.000657 1156. 1356.
1436(39) 0.000657 1156. 1391.
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1394(38) 0.000693 1156. 1425.
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1348(37) 0.000730 1155. 1376.
1432(38) 0.000693 1155. 1368.
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1465(39) 0.000657 1154. 1434.
1431(38) 0.000693 1153. 1441.
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1360(38) 0.000693 1153. 1395.
1334(37) 0.000730 1153. 1359.
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1289(37) 0.000730 1152. 1283.
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1289(37) 0.000730 1151. 1314.
1332(37) 0.000730 1151. 1344.
1445(38) 0.000693 1150. 1378.
1474(38) 0.000693 1150. 1410.
1426(37) 0.000730 1150. 1427.
1429(37) 0.000730 1150. 1423.
1429(37) 0.000730 1149. 1398.
1340(36) 0.000772 1149. 1364.
1316(36) 0.000772 1149. 1330.
1210(34) 0.000865 1148.7 1300.5
1182(34) 0.000865 1148.4 1278.9
1276(35) 0.000816 1148.2 1265.1
1318(36) 0.000772 1148. 1259.
1213(34) 0.000865 1147.7 1259.0
1233(35) 0.000816 1147.4 1265.2
1295(36) 0.000772 1147. 1277.
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1310(36) 0.000772 1147. 1312.
1337(36) 0.000772 1146. 1337.
1347(36) 0.000772 1146. 1366.
1465(38) 0.000693 1146. 1398.
1433(37) 0.000730 1146. 1425.
1436(37) 0.000730 1145. 1441.
1470(38) 0.000693 1145. 1441.
1436(37) 0.000730 1145. 1429.
1410(37) 0.000730 1145. 1416.
1379(37) 0.000730 1144. 1410.
1402(37) 0.000730 1144. 1415.
1408(37) 0.000730 1144. 1437.
1483(38) 0.000693 1144. 1478.
1574(39) 0.000657 1143. 1539.
1591(39) 0.000657 1143. 1616.
1699(41) 0.000595 1143. 1701.
1696(41) 0.000595 1143. 1778.
1745(41) 0.000595 1142. 1826.
1816(42) 0.000567 1142. 1842.
1886(43) 0.000541 1142. 1839.
1878(43) 0.000541 1142. 1833.
1907(43) 0.000541 1141. 1828.
1968(44) 0.000517 1141. 1810.
1795(42) 0.000567 1141. 1768.
1747(41) 0.000595 1141. 1699.
1621(40) 0.000625 1140. 1617.
1528(39) 0.000657 1140. 1538.
1476(38) 0.000693 1140. 1469.
1464(38) 0.000693 1140. 1410.
1421(37) 0.000730 1139. 1364.
1349(36) 0.000772 1139. 1328.
1316(36) 0.000772 1139. 1303.
1284(35) 0.000816 1138.7 1287.0
1262(35) 0.000816 1138.5 1278.8
1233(35) 0.000816 1138.2 1277.9
1243(35) 0.000816 1138.0 1284.6
1305(36) 0.000772 1138. 1300.
1296(36) 0.000772 1137. 1325.
1402(37) 0.000730 1137. 1360.
1464(38) 0.000693 1137. 1407.
1533(39) 0.000657 1137. 1463.
1592(39) 0.000657 1136. 1522.
1567(39) 0.000657 1136. 1573.
1661(40) 0.000625 1136. 1598.
1572(39) 0.000657 1136. 1589.
1542(39) 0.000657 1135. 1550.
1503(38) 0.000693 1135. 1498.
1403(37) 0.000730 1135. 1448.
1339(36) 0.000772 1135. 1409.
1300(36) 0.000772 1134. 1386.
1326(36) 0.000772 1134. 1381.
1372(37) 0.000730 1134. 1394.
1352(36) 0.000772 1134. 1426.
1507(38) 0.000693 1133. 1476.
1568(39) 0.000657 1133. 1538.
1663(40) 0.000625 1133. 1604.
1633(40) 0.000625 1133. 1659.
1641(40) 0.000625 1132. 1684.
1598(39) 0.000657 1132. 1671.
1574(39) 0.000657 1132. 1629.
1611(40) 0.000625 1132. 1575.
1556(39) 0.000657 1131. 1519.
1454(38) 0.000693 1131. 1467.
1459(38) 0.000693 1131. 1422.
1428(37) 0.000730 1131. 1388.
1388(37) 0.000730 1130. 1365.
1404(37) 0.000730 1130. 1352.
1337(36) 0.000772 1130. 1348.
1349(36) 0.000772 1130. 1346.
1327(36) 0.000772 1129. 1342.
1335(36) 0.000772 1129. 1338.
1363(36) 0.000772 1129. 1333.
1352(36) 0.000772 1129. 1330.
1352(36) 0.000772 1128. 1328.
1348(36) 0.000772 1128. 1323.
1285(35) 0.000816 1127.7 1313.8
1335(36) 0.000772 1127. 1301.
1324(36) 0.000772 1127. 1285.
1276(35) 0.000816 1127.0 1267.9
1268(35) 0.000816 1126.7 1250.8
1242(35) 0.000816 1126.4 1235.5
1203(34) 0.000865 1126.2 1223.4
1223(35) 0.000816 1125.9 1215.2
1182(34) 0.000865 1125.6 1211.3
1249(35) 0.000816 1125.4 1212.0
1241(33) 0.000918 1125.1 1217.3
1224(33) 0.000918 1124.9 1227.5
1250(34) 0.000865 1124.6 1242.6
1290(34) 0.000865 1124.3 1261.9
1346(35) 0.000816 1124.1 1283.8
1340(35) 0.000816 1123.8 1305.0
1370(35) 0.000816 1123.6 1321.7
1332(35) 0.000816 1123.3 1331.2
1369(35) 0.000816 1123.0 1333.0
1361(35) 0.000816 1122.8 1327.1
1344(35) 0.000816 1122.5 1314.4
1344(35) 0.000816 1122.2 1297.7
1303(34) 0.000865 1122.0 1281.6
1247(34) 0.000865 1121.7 1269.1
1201(33) 0.000918 1121.5 1261.5
1244(34) 0.000865 1121.2 1257.9
1222(33) 0.000918 1120.9 1255.4
1174(33) 0.000918 1120.7 1250.6
1184(33) 0.000918 1120.4 1240.9
1185(33) 0.000918 1120.1 1226.9
1204(33) 0.000918 1119.9 1211.2
1190(33) 0.000918 1119.6 1196.1
1184(33) 0.000918 1119.3 1182.9
1163(32) 0.000977 1119.1 1171.9
1155(32) 0.000977 1118.8 1163.1
1137(32) 0.000977 1118.5 1156.3
1200(33) 0.000918 1118.3 1151.1
1164(32) 0.000977 1118.0 1147.2
1140(32) 0.000977 1117.7 1144.2
1162(32) 0.000977 1117.5 1141.8
1153(32) 0.000977 1117.2 1139.9
1164(32) 0.000977 1116.9 1138.4
1136(32) 0.000977 1116.7 1137.1
1140(32) 0.000977 1116.4 1136.0
1197(33) 0.000918 1116.1 1135.1
1181(33) 0.000918 1115.9 1134.3
1161(32) 0.000977 1115.6 1133.7
1144(32) 0.000977 1115.3 1133.3
1158(32) 0.000977 1115.1 1133.0
1145(32) 0.000977 1114.8 1132.9
1154(32) 0.000977 1114.5 1132.9
1159(32) 0.000977 1114.3 1133.0
1203(33) 0.000918 1114.0 1133.1
1131(32) 0.000977 1113.7 1133.2
1191(33) 0.000918 1113.5 1133.1
1136(32) 0.000977 1113.2 1132.9
1156(32) 0.000977 1112.9 1132.6
1138(32) 0.000977 1112.7 1132.4
1168(32) 0.000977 1112.4 1132.3
1159(32) 0.000977 1112.1 1132.4
1143(32) 0.000977 1111.8 1132.8
1117(32) 0.000977 1111.6 1133.5
1093(31) 0.001041 1111.3 1134.5
1107(32) 0.000977 1111.0 1135.9
1160(32) 0.000977 1110.8 1137.9
1126(32) 0.000977 1110.5 1140.4
1117(32) 0.000977 1110.2 1143.8
1094(31) 0.001041 1110.0 1148.3
1119(32) 0.000977 1109.7 1154.1
1171(33) 0.000918 1109.4 1161.8
1219(33) 0.000918 1109.1 1171.8
1207(33) 0.000918 1108.9 1184.7
1192(33) 0.000918 1108.6 1200.9
1201(33) 0.000918 1108.3 1220.7
1251(34) 0.000865 1108.1 1243.3
1254(34) 0.000865 1107.8 1267.0
1246(34) 0.000865 1107.5 1288.3
1279(34) 0.000865 1107.2 1303.8
1265(34) 0.000865 1107.0 1312.6
1287(34) 0.000865 1106.7 1316.7
1277(34) 0.000865 1106.4 1317.8
1301(34) 0.000865 1106.2 1315.6
1294(34) 0.000865 1105.9 1307.4
1271(34) 0.000865 1105.6 1291.5
1216(33) 0.000918 1105.3 1269.6
1205(33) 0.000918 1105.1 1245.5
1206(33) 0.000918 1104.8 1222.4
1168(32) 0.000977 1104.5 1202.4
1153(32) 0.000977 1104.2 1186.0
1202(33) 0.000918 1104.0 1173.3
1109(32) 0.000977 1103.7 1164.0
1177(33) 0.000918 1103.4 1157.3
1193(33) 0.000918 1103.2 1152.6
1139(32) 0.000977 1102.9 1149.0
1122(32) 0.000977 1102.6 1146.2
1129(32) 0.000977 1102.3 1143.9
1177(33) 0.000918 1102.1 1142.2
1121(32) 0.000977 1101.8 1141.2
1122(32) 0.000977 1101.5 1140.9
1143(32) 0.000977 1101.2 1141.2
1107(32) 0.000977 1101.0 1141.9
1124(32) 0.000977 1100.7 1142.5
1156(32) 0.000977 1100.4 1142.8
1120(32) 0.000977 1100.1 1142.9
1089(31) 0.001041 1099.9 1143.1
1094(31) 0.001041 1099.6 1144.2
1145(32) 0.000977 1099.3 1146.6
1153(32) 0.000977 1099.0 1150.6
1097(31) 0.001041 1098.8 1156.8
1142(32) 0.000977 1098.5 1165.3
1152(45) 0.000494 1098. 1176.
1162(31) 0.001041 1097.9 1188.6
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1023(41) 0.000595 1025. 1056.
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1103(30) 0.001111 1014.8 1112.3
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1055(29) 0.001189 1008.4 1126.3
1131(30) 0.001111 1008.3 1123.1
1081(29) 0.001189 1008.2 1120.5
1089(29) 0.001189 1008.1 1118.5
1133(30) 0.001111 1008.0 1117.0
1121(30) 0.001111 1007.9 1116.1
1088(29) 0.001189 1007.9 1115.7
1144(30) 0.001111 1007.8 1116.0
1111(29) 0.001189 1007.7 1116.3
1191(31) 0.001041 1007.6 1116.5
1174(30) 0.001111 1007.5 1116.2
1132(30) 0.001111 1007.4 1115.5
1096(29) 0.001189 1007.4 1114.6
1127(30) 0.001111 1007.3 1113.5
1149(30) 0.001111 1007.2 1112.5
1134(30) 0.001111 1007.1 1111.5
1090(29) 0.001189 1007.1 1110.1
1108(29) 0.001189 1007.0 1107.8
1099(29) 0.001189 1006.9 1104.3
1103(29) 0.001189 1006.8 1099.4
1152(30) 0.001111 1006.7 1093.2
1137(30) 0.001111 1006.7 1086.3
1049(29) 0.001189 1006.6 1079.0
1048(29) 0.001189 1006.5 1071.9
1040(29) 0.001189 1006.5 1065.1
1067(29) 0.001189 1006.4 1059.0
1066(29) 0.001189 1006.3 1053.6
1085(29) 0.001189 1006.2 1049.0
999(28) 0.001276 1006.2 1045.0
1083(29) 0.001189 1006.1 1041.7
1022(28) 0.001276 1006.0 1039.0
1060(29) 0.001189 1006.0 1036.8
985(28) 0.001276 1005.9 1035.2
1023(28) 0.001276 1005.8 1034.0
1013(28) 0.001276 1005.8 1033.1
1058(29) 0.001189 1005.7 1032.7
1053(29) 0.001189 1005.6 1032.7
1017(28) 0.001276 1005.6 1033.0
979(28) 0.001276 1005.5 1033.5
1066(29) 0.001189 1005.4 1034.3
1037(28) 0.001276 1005.4 1035.4
1021(28) 0.001276 1005.3 1036.7
1030(28) 0.001276 1005.2 1038.3
1031(28) 0.001276 1005.2 1040.2
1059(29) 0.001189 1005.1 1042.1
1035(28) 0.001276 1005.0 1044.0
963(27) 0.001372 1005.0 1045.8
1035(28) 0.001276 1004.9 1047.4
968(28) 0.001276 1004.9 1048.8
1025(28) 0.001276 1004.8 1050.2
995(28) 0.001276 1004.7 1051.6
1098(29) 0.001189 1004.7 1053.4
1020(28) 0.001276 1004.6 1055.7
1045(29) 0.001189 1004.6 1058.6
1065(29) 0.001189 1004.5 1062.2
1108(29) 0.001189 1004.5 1066.5
1057(29) 0.001189 1004.4 1071.4
1042(29) 0.001189 1004.3 1076.8
1119(30) 0.001111 1004.3 1082.4
1108(29) 0.001189 1004.2 1087.8
1085(29) 0.001189 1004.2 1092.7
1065(29) 0.001189 1004.1 1096.4
1150(30) 0.001111 1004.1 1098.6
1066(29) 0.001189 1004.0 1099.1
1049(29) 0.001189 1004.0 1097.8
1110(29) 0.001189 1003.9 1095.3
1092(29) 0.001189 1003.9 1092.0
1091(29) 0.001189 1003.8 1088.5
1081(29) 0.001189 1003.8 1085.2
1116(31) 0.001041 1003.7 1082.5
1144(31) 0.001041 1003.7 1080.3
1070(30) 0.001111 1003.6 1078.8
1030(29) 0.001189 1003.6 1077.6
1038(30) 0.001111 1003.5 1076.6
1047(30) 0.001111 1003.5 1075.5
1125(31) 0.001041 1003.4 1074.3
1038(30) 0.001111 1003.4 1072.7
1034(29) 0.001189 1003.3 1071.0
1033(29) 0.001189 1003.3 1069.0
1003(29) 0.001189 1003.2 1067.2
1010(29) 0.001189 1003.2 1065.5
1067(30) 0.001111 1003.1 1064.1
1098(30) 0.001111 1003.1 1063.2
1063(30) 0.001111 1003.1 1062.8
1031(29) 0.001189 1003.0 1062.7
1067(30) 0.001111 1003.0 1063.1
1022(29) 0.001189 1002.9 1063.9
1020(29) 0.001189 1002.9 1065.0
1055(30) 0.001111 1002.8 1066.3
1078(30) 0.001111 1002.8 1067.9
1101(30) 0.001111 1002.8 1069.7
1086(30) 0.001111 1002.7 1071.8
1092(30) 0.001111 1002.7 1074.4
1071(30) 0.001111 1002.6 1077.4
1055(30) 0.001111 1002.6 1080.7
1135(31) 0.001041 1002.6 1084.2
1113(31) 0.001041 1002.5 1087.6
1134(31) 0.001041 1002.5 1090.3
1110(30) 0.001111 1002.5 1092.1
1110(30) 0.001111 1002.4 1092.8
1149(31) 0.001041 1002.4 1092.5
1117(31) 0.001041 1002.3 1091.2
1105(30) 0.001111 1002.3 1089.3
1083(30) 0.001111 1002.3 1087.1
1068(30) 0.001111 1002.2 1084.5
1070(30) 0.001111 1002.2 1081.6
1095(30) 0.001111 1002.2 1078.2
1058(30) 0.001111 1002.1 1074.5
1085(30) 0.001111 1002.1 1070.4
1059(30) 0.001111 1002.1 1066.1
1090(30) 0.001111 1002.0 1061.8
1033(29) 0.001189 1002.0 1057.6
1061(30) 0.001111 1002.0 1053.9
1041(30) 0.001111 1001.9 1050.7
1008(29) 0.001189 1001.9 1048.0
1024(29) 0.001189 1001.9 1045.9
1061(30) 0.001111 1001.9 1044.3
1027(29) 0.001189 1001.8 1043.4
1005(29) 0.001189 1001.8 1043.0
1040(30) 0.001111 1001.8 1043.2
1022(29) 0.001189 1001.7 1044.0
1017(29) 0.001189 1001.7 1045.5
1074(30) 0.001111 1001.7 1047.5
1024(29) 0.001189 1001.7 1050.3
1065(30) 0.001111 1001.6 1053.9
1021(29) 0.001189 1001.6 1058.2
1082(30) 0.001111 1001.6 1063.4
1101(30) 0.001111 1001.5 1069.5
1034(29) 0.001189 1001.5 1076.5
1101(30) 0.001111 1001.5 1084.3
1058(30) 0.001111 1001.5 1092.9
1099(30) 0.001111 1001.4 1101.9
1130(31) 0.001041 1001.4 1111.2
1158(31) 0.001041 1001.4 1120.1
1106(30) 0.001111 1001.4 1128.2
1120(31) 0.001041 1001.4 1134.9
1129(31) 0.001041 1001.3 1139.8
1135(31) 0.001041 1001.3 1142.8
1138(31) 0.001041 1001.3 1144.0
1145(31) 0.001041 1001.3 1143.8
1109(30) 0.001111 1001.2 1142.6
1181(31) 0.001041 1001.2 1140.8
1109(30) 0.001111 1001.2 1138.6
1128(31) 0.001041 1001.2 1136.0
1161(31) 0.001041 1001.2 1133.2
1147(31) 0.001041 1001.1 1130.1
1080(30) 0.001111 1001.1 1126.9
1087(30) 0.001111 1001.1 1123.5
1136(31) 0.001041 1001.1 1120.0
1108(30) 0.001111 1001.1 1116.6
1107(30) 0.001111 1001.0 1113.5
1101(30) 0.001111 1001.0 1110.9
1129(31) 0.001041 1001.0 1109.3
1134(31) 0.001041 1001.0 1108.8
1154(31) 0.001041 1001.0 1109.8
1106(30) 0.001111 1000.9 1112.3
1105(30) 0.001111 1000.9 1116.6
1176(31) 0.001041 1000.9 1122.5
1122(31) 0.001041 1000.9 1130.1
1120(31) 0.001041 1000.9 1139.0
1186(32) 0.000977 1000.9 1149.1
1138(31) 0.001041 1000.8 1159.7
1132(31) 0.001041 1000.8 1170.2
1160(31) 0.001041 1000.8 1179.6
1199(32) 0.000977 1000.8 1187.0
1170(31) 0.001041 1000.8 1191.3
1163(31) 0.001041 1000.8 1192.2
1176(31) 0.001041 1000.8 1189.7
1196(32) 0.000977 1000.7 1184.4
1173(32) 0.000977 1000.7 1177.1
1164(31) 0.001041 1000.7 1168.8
1199(32) 0.000977 1000.7 1160.4
1183(32) 0.000977 1000.7 1152.3
1156(31) 0.001041 1000.7 1144.9
1168(32) 0.000977 1000.7 1138.2
1139(31) 0.001041 1000.6 1132.0
1091(30) 0.001111 1000.6 1126.2
1089(30) 0.001111 1000.6 1120.4
1098(31) 0.001041 1000.6 1114.4
1090(30) 0.001111 1000.6 1108.4
1115(31) 0.001041 1000.6 1102.2
1100(31) 0.001041 1000.6 1096.1
1035(30) 0.001111 1000.6 1090.5
1113(31) 0.001041 1000.6 1085.5
1037(30) 0.001111 1000.5 1081.2
1100(31) 0.001041 1000.5 1077.7
1090(30) 0.001111 1000.5 1075.1
1094(31) 0.001041 1000.5 1073.4
1034(30) 0.001111 1000.5 1072.5
1039(30) 0.001111 1000.5 1072.4
1094(31) 0.001041 1000.5 1073.0
1075(30) 0.001111 1000.5 1074.2
1024(30) 0.001111 1000.5 1075.8
1034(30) 0.001111 1000.5 1077.7
1075(30) 0.001111 1000.4 1079.7
1067(30) 0.001111 1000.4 1081.6
1050(30) 0.001111 1000.4 1083.5
1049(30) 0.001111 1000.4 1085.2
1111(31) 0.001041 1000.4 1086.9
1076(30) 0.001111 1000.4 1088.9
1031(30) 0.001111 1000.4 1091.3
1054(30) 0.001111 1000.4 1094.3
1091(30) 0.001111 1000.4 1098.1
1124(31) 0.001041 1000.4 1102.7
1094(31) 0.001041 1000.4 1107.9
1121(31) 0.001041 1000.4 1113.8
1145(31) 0.001041 1000.4 1119.9
1125(31) 0.001041 1000.4 1126.0
1160(31) 0.001041 1000.3 1131.7
1116(31) 0.001041 1000.3 1136.3
1137(31) 0.001041 1000.3 1139.7
1120(31) 0.001041 1000.3 1141.7
1135(31) 0.001041 1000.3 1142.2
1125(31) 0.001041 1000.3 1141.7
1147(31) 0.001041 1000.3 1140.4
1078(30) 0.001111 1000.3 1138.6
1130(31) 0.001041 1000.3 1136.8
1106(31) 0.001041 1000.3 1135.1
1063(30) 0.001111 1000.3 1133.5
1119(31) 0.001041 1000.3 1132.4
1123(31) 0.001041 1000.3 1131.6
1083(30) 0.001111 1000.3 1131.3
1103(31) 0.001041 1000.3 1131.4
1180(32) 0.000977 1000.3 1131.9
1108(31) 0.001041 1000.3 1132.6
1113(31) 0.001041 1000.3 1133.4
1138(31) 0.001041 1000.3 1134.2
1149(31) 0.001041 1000.3 1135.1
1173(32) 0.000977 1000.3 1136.3
1157(31) 0.001041 1000.3 1138.1
1107(31) 0.001041 1000.3 1140.7
1144(31) 0.001041 1000.3 1144.3
1162(31) 0.001041 1000.3 1148.9
1202(32) 0.000977 1000.3 1154.6
1063(30) 0.001111 1000.2 1161.1
1203(32) 0.000977 1000.2 1168.3
1159(31) 0.001041 1000.2 1175.8
1173(32) 0.000977 1000.2 1183.1
1196(32) 0.000977 1000.2 1189.8
1191(32) 0.000977 1000.2 1195.5
1165(31) 0.001041 1000.2 1199.9
1245(33) 0.000918 1000.2 1202.8
1238(32) 0.000977 1000.2 1204.3
1191(32) 0.000977 1000.2 1204.7
1132(31) 0.001041 1000.2 1204.5
1159(31) 0.001041 1000.2 1204.4
1191(32) 0.000977 1000.2 1204.8
1278(33) 0.000918 1000.2 1206.1
1226(32) 0.000977 1000.2 1208.6
1255(33) 0.000918 1000.2 1212.2
1252(33) 0.000918 1000.2 1216.8
1270(33) 0.000918 1000.2 1222.0
1198(32) 0.000977 1000.2 1227.1
1195(32) 0.000977 1000.2 1231.4
1196(32) 0.000977 1000.2 1233.9
1205(32) 0.000977 1000.2 1234.0
1244(33) 0.000918 1000.2 1231.2
1187(32) 0.000977 1000.2 1225.5
1162(31) 0.001041 1000.2 1217.4
1160(31) 0.001041 1000.2 1207.4
1125(31) 0.001041 1000.2 1196.5
1129(31) 0.001041 1000.2 1185.3
1174(32) 0.000977 1000.2 1174.4
1112(31) 0.001041 1000.2 1164.4
1125(31) 0.001041 1000.2 1155.5
1068(30) 0.001111 1000.2 1147.9
1160(31) 0.001041 1000.2 1141.9
1156(31) 0.001041 1000.2 1137.3
1152(31) 0.001041 1000.2 1134.3
1112(29) 0.001189 1000.2 1132.8
1079(29) 0.001189 1000.2 1132.7
1119(29) 0.001189 1000.2 1134.0
1187(30) 0.001111 1000.2 1136.5
1142(30) 0.001111 1000.2 1140.4
1133(30) 0.001111 1000.2 1145.4
1145(30) 0.001111 1000.3 1151.5
1184(30) 0.001111 1000.3 1158.7
1207(31) 0.001041 1000.3 1166.9
1206(31) 0.001041 1000.3 1176.1
1199(30) 0.001111 1000.3 1185.9
1197(30) 0.001111 1000.3 1196.3
1197(30) 0.001111 1000.3 1207.0
1207(31) 0.001041 1000.3 1217.5
1226(31) 0.001041 1000.3 1227.4
1234(31) 0.001041 1000.3 1236.0
1233(31) 0.001041 1000.3 1243.0
1281(32) 0.000977 1000.3 1248.0
1226(31) 0.001041 1000.3 1251.1
1211(31) 0.001041 1000.3 1252.6
1247(31) 0.001041 1000.3 1253.0
1259(31) 0.001041 1000.3 1252.8
1272(31) 0.001041 1000.3 1252.6
1213(31) 0.001041 1000.3 1252.6
1296(32) 0.000977 1000.3 1253.2
1315(32) 0.000977 1000.3 1254.4
1258(31) 0.001041 1000.3 1256.4
1259(31) 0.001041 1000.3 1259.0
1258(31) 0.001041 1000.3 1261.7
1236(31) 0.001041 1000.3 1264.2
1308(32) 0.000977 1000.3 1265.8
1318(32) 0.000977 1000.3 1265.8
1259(31) 0.001041 1000.3 1263.7
1250(31) 0.001041 1000.3 1259.5
1235(31) 0.001041 1000.3 1253.2
1249(31) 0.001041 1000.3 1245.2
1242(31) 0.001041 1000.3 1235.8
1201(31) 0.001041 1000.3 1225.4
1221(31) 0.001041 1000.3 1214.4
1220(31) 0.001041 1000.3 1203.1
1130(30) 0.001111 1000.3 1191.7
1170(30) 0.001111 1000.4 1180.6
1144(30) 0.001111 1000.4 1169.9
1151(30) 0.001111 1000.4 1160.0
1160(30) 0.001111 1000.4 1151.1
1126(30) 0.001111 1000.4 1143.2
1060(29) 0.001189 1000.4 1136.4
1058(29) 0.001189 1000.4 1130.8
1102(29) 0.001189 1000.4 1126.4
1121(29) 0.001189 1000.4 1122.9
1131(30) 0.001111 1000.4 1120.4
1114(29) 0.001189 1000.4 1118.7
1107(29) 0.001189 1000.4 1117.5
1165(30) 0.001111 1000.4 1116.7
1127(30) 0.001111 1000.4 1116.1
1139(30) 0.001111 1000.4 1115.5
1089(29) 0.001189 1000.4 1114.6
1095(29) 0.001189 1000.4 1113.3
1114(29) 0.001189 1000.4 1111.5
1056(29) 0.001189 1000.4 1109.0
1117(29) 0.001189 1000.4 1106.0
1124(30) 0.001111 1000.4 1102.4
1074(29) 0.001189 1000.4 1098.3
1119(29) 0.001189 1000.4 1094.0
1113(29) 0.001189 1000.5 1089.6
1093(29) 0.001189 1000.5 1085.3
1107(29) 0.001189 1000.5 1081.2
1112(29) 0.001189 1000.5 1077.4
1059(29) 0.001189 1000.5 1074.0
1054(29) 0.001189 1000.5 1071.0
1113(29) 0.001189 1000.5 1068.5
1071(29) 0.001189 1000.5 1066.4
1050(29) 0.001189 1000.5 1064.8
1011(28) 0.001276 1000.5 1063.6
1070(29) 0.001189 1000.5 1062.8
1083(29) 0.001189 1000.5 1062.3
1044(28) 0.001276 1000.5 1062.1
1042(28) 0.001276 1000.5 1062.2
1053(29) 0.001189 1000.5 1062.5
1066(29) 0.001189 1000.5 1063.1
1057(29) 0.001189 1000.5 1064.0
1049(29) 0.001189 1000.5 1065.3
1062(29) 0.001189 1000.5 1067.0
1056(29) 0.001189 1000.6 1069.1
1087(29) 0.001189 1000.6 1071.9
1078(29) 0.001189 1000.6 1075.2
1056(29) 0.001189 1000.6 1079.3
1096(29) 0.001189 1000.6 1084.0
1117(29) 0.001189 1000.6 1089.6
1091(29) 0.001189 1000.6 1095.9
1105(29) 0.001189 1000.6 1103.0
1103(29) 0.001189 1000.6 1110.9
1149(30) 0.001111 1000.6 1119.5
1158(30) 0.001111 1000.6 1128.8
1107(29) 0.001189 1000.6 1138.5
1175(30) 0.001111 1000.6 1148.4
1136(30) 0.001111 1000.6 1158.4
1091(29) 0.001189 1000.6 1168.0
1089(29) 0.001189 1000.6 1177.0
1144(41) 0.000595 1001. 1185.
1225(31) 0.001041 1000.7 1191.8
1252(31) 0.001041 1000.7 1197.3
1207(31) 0.001041 1000.7 1201.6
1195(31) 0.001041 1000.7 1204.8
1197(31) 0.001041 1000.7 1206.9
1206(31) 0.001041 1000.7 1207.8
1205(31) 0.001041 1000.7 1207.6
1228(31) 0.001041 1000.7 1206.1
1228(31) 0.001041 1000.7 1203.2
1226(31) 0.001041 1000.7 1199.1
1205(31) 0.001041 1000.7 1193.7
1222(31) 0.001041 1000.7 1187.3
1193(30) 0.001111 1000.7 1180.2
1181(30) 0.001111 1000.8 1172.6
1208(31) 0.001041 1000.8 1165.0
1146(30) 0.001111 1000.8 1157.3
1149(30) 0.001111 1000.8 1150.0
1133(30) 0.001111 1000.8 1142.8
1133(30) 0.001111 1000.8 1136.1
1140(30) 0.001111 1000.8 1129.6
1136(30) 0.001111 1000.8 1123.6
1114(29) 0.001189 1000.8 1117.9
1128(30) 0.001111 1000.8 1112.6
1107(29) 0.001189 1000.8 1107.6
1116(29) 0.001189 1000.8 1103.2
1064(29) 0.001189 1000.8 1099.3
1096(29) 0.001189 1000.9 1096.0
1105(29) 0.001189 1000.9 1093.3
1104(29) 0.001189 1000.9 1091.3
1084(29) 0.001189 1000.9 1090.0
1113(29) 0.001189 1000.9 1089.4
1097(29) 0.001189 1000.9 1089.5
1078(29) 0.001189 1000.9 1090.2
1093(29) 0.001189 1000.9 1091.4
1130(30) 0.001111 1000.9 1093.1
1115(29) 0.001189 1000.9 1095.1
1173(30) 0.001111 1000.9 1097.2
1139(30) 0.001111 1001.0 1099.4
1112(29) 0.001189 1001.0 1101.4
1114(29) 0.001189 1001.0 1103.1
1107(29) 0.001189 1001.0 1104.5
1111(29) 0.001189 1001.0 1105.3
1101(29) 0.001189 1001.0 1105.7
1114(29) 0.001189 1001.0 1105.6
1083(29) 0.001189 1001.0 1105.1
1085(29) 0.001189 1001.0 1104.2
1121(30) 0.001111 1001.0 1102.9
1116(29) 0.001189 1001.1 1101.5
1118(30) 0.001111 1001.1 1099.9
1090(29) 0.001189 1001.1 1098.4
1126(30) 0.001111 1001.1 1097.0
1111(29) 0.001189 1001.1 1096.0
1127(30) 0.001111 1001.1 1095.4
1101(29) 0.001189 1001.1 1095.3
1097(29) 0.001189 1001.1 1095.9
1079(29) 0.001189 1001.1 1097.2
1092(29) 0.001189 1001.2 1099.2
1145(30) 0.001111 1001.2 1102.0
1115(29) 0.001189 1001.2 1105.6
1147(30) 0.001111 1001.2 1110.1
1150(30) 0.001111 1001.2 1115.5
1114(29) 0.001189 1001.2 1121.7
1181(30) 0.001111 1001.2 1128.7
1155(30) 0.001111 1001.2 1136.5
1157(30) 0.001111 1001.2 1144.8
1163(30) 0.001111 1001.3 1153.5
1189(30) 0.001111 1001.3 1162.3
1224(31) 0.001041 1001.3 1171.0
1199(31) 0.001041 1001.3 1179.2
1192(30) 0.001111 1001.3 1186.4
1201(31) 0.001041 1001.3 1192.5
1183(30) 0.001111 1001.3 1197.2
1172(30) 0.001111 1001.4 1200.4
1185(30) 0.001111 1001.4 1202.1
1190(30) 0.001111 1001.4 1202.2
1200(31) 0.001041 1001.4 1201.0
1175(30) 0.001111 1001.4 1198.4
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1162(31) 0.001041 1005.1 1200.7
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1192(31) 0.001041 1033.4 1180.9
1192(31) 0.001041 1033.6 1182.3
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1170(31) 0.001041 1037.6 1180.3
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1188(31) 0.001041 1037.9 1177.6
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1172(31) 0.001041 1038.3 1174.8
1177(43) 0.000541 1038. 1174.
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1193(30) 0.001111 1039.4 1173.3
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1200(30) 0.001111 1051.9 1180.3
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1198(31) 0.001041 1052.9 1199.3
1193(31) 0.001041 1052.9 1200.4
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1366(33) 0.000918 1171.0 1344.1
1304(33) 0.000918 1173.0 1346.7
1299(33) 0.000918 1175.0 1349.2
1353(33) 0.000918 1177.1 1351.8
1348(33) 0.000918 1179.2 1354.3
1339(33) 0.000918 1181.3 1356.8
1336(33) 0.000918 1183.5 1359.3
1335(33) 0.000918 1185.6 1361.7
1315(33) 0.000918 1187.8 1364.2
1325(33) 0.000918 1190.1 1366.6
1347(33) 0.000918 1192.3 1368.9
1320(33) 0.000918 1194.6 1371.3
1318(33) 0.000918 1197.0 1373.6
1371(33) 0.000918 1199.3 1375.9
1390(34) 0.000865 1201.7 1378.2
1367(33) 0.000918 1204.1 1380.4
1345(33) 0.000918 1206.6 1382.7
1332(33) 0.000918 1209.1 1384.9
1367(33) 0.000918 1211.6 1387.1
1364(33) 0.000918 1214.1 1389.4
1372(34) 0.000865 1216.7 1391.6
1410(34) 0.000865 1219.3 1393.8
1412(34) 0.000865 1222.0 1396.1
1433(34) 0.000865 1224.6 1398.3
1402(34) 0.000865 1227.3 1400.5
1364(33) 0.000918 1230.1 1402.8
1379(34) 0.000865 1232.9 1405.1
1404(34) 0.000865 1235.7 1407.4
1405(34) 0.000865 1238.5 1409.8
1415(34) 0.000865 1241.4 1412.1
1407(34) 0.000865 1244.3 1414.5
1394(34) 0.000865 1247.3 1416.9
1391(34) 0.000865 1250.3 1419.4
1387(34) 0.000865 1253.3 1421.9
1394(34) 0.000865 1256.4 1424.4
1421(34) 0.000865 1259.5 1427.0
1395(34) 0.000865 1262.6 1429.6
1417(34) 0.000865 1265.8 1432.2
1416(34) 0.000865 1269.0 1434.9
1387(34) . . .
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1958(58) . . .
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1934(58) . . .
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1976(59) . . .
1992(59) . . .
1948(58) . . .
1996(59) . . .
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1941(58) . . .
2014(59) . . .
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2603(66) . . .
2611(66) . . .
_pd_meas_number_of_points        3296
_pd_proc_number_of_points        3296

_reflns_number_total             765
_reflns_limit_h_min              0
_reflns_limit_h_max              24
_reflns_limit_k_min              -11
_reflns_limit_k_max              12
_reflns_limit_l_min              -6
_reflns_limit_l_max              6
_reflns_d_resolution_high        1.065
_reflns_d_resolution_low         12.943
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
_database_code_depnum_ccdc_archive 'CCDC 1003015'
