# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2070_auto
_database_code_depnum_ccdc_archive 'CCDC 2345232'
loop_
_audit_author_name
_audit_author_address
COTYUT
;The Cambridge Structural Database (CSD)
China
;
_audit_update_record             
;
2024-04-02 deposited with the CCDC.	2024-05-22 downloaded from the CCDC.
;
_audit_creation_date             2023-08-12
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H12 Co2 N4 O9'
_chemical_formula_sum            'C24 H12 Co2 N4 O9'
_chemical_formula_weight         618.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHONCo
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.3752(4)
_cell_length_b                   19.2876(8)
_cell_length_c                   14.3402(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2869.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8949
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.6580
_cell_measurement_theta_min      2.6100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.209
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.29429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.91a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17211
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.704
_diffrn_reflns_theta_min         2.112
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00  69.00   0.50    2.04    --   -5.35   7.00   3.00   98
  2  ω    -17.00  11.00   0.50    2.04    --   -5.35 -99.00-150.00   56
  3  ω    -69.00   9.00   0.50    2.04    --   -5.35 -38.00-150.00  156
  4  ω     22.00  53.00   0.50    2.04    --    6.29-124.00  55.75   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0008228000
_diffrn_orient_matrix_UB_12      -0.0142573000
_diffrn_orient_matrix_UB_13      -0.0456178000
_diffrn_orient_matrix_UB_21      -0.0060949000
_diffrn_orient_matrix_UB_22      -0.0337613000
_diffrn_orient_matrix_UB_23      0.0190455000
_diffrn_orient_matrix_UB_31      -0.0680774000
_diffrn_orient_matrix_UB_32      0.0028777000
_diffrn_orient_matrix_UB_33      -0.0023094000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2901
_reflns_number_total             3758
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.91a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3758
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0399
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0742P)²+0.4197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1197
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(O6)=1-FVAR(1)
 Sof(O2)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C9(H9), C12(H12), C10(H10), C6(H6), C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.61505(2) 0.61439(2) 0.65463(2) 0.01038(11) Uani 1 1 d . . . . .
O3 O 0.500000 0.67451(10) 0.750000 0.0142(4) Uani 1 2 d S T P . .
O4 O 0.47198(12) 0.54079(7) 0.64847(11) 0.0152(3) Uani 1 1 d . . . . .
O5 O 0.29411(12) 0.56855(7) 0.73255(11) 0.0154(3) Uani 1 1 d . . . . .
O1 O 0.52573(13) 0.66378(8) 0.54386(12) 0.0180(3) Uani 1 1 d . . . . .
N1 N 0.26168(16) 0.80745(9) 0.35519(13) 0.0145(4) Uani 1 1 d . . . . .
N2 N 0.27035(15) 0.44477(9) 0.44463(14) 0.0162(4) Uani 1 1 d . . . . .
C5 C 0.34167(18) 0.79771(10) 0.28326(16) 0.0147(4) Uani 1 1 d . . . . .
H5 H 0.319379 0.817098 0.224542 0.018 Uiso 1 1 calc R U . . .
C7 C 0.3532(2) 0.54277(11) 0.66344(16) 0.0152(4) Uani 1 1 d . . . . .
C9 C 0.33230(18) 0.47143(11) 0.51827(16) 0.0175(4) Uani 1 1 d . . . . .
H9 H 0.421959 0.462535 0.524369 0.021 Uiso 1 1 calc R U . . .
C3 C 0.45562(17) 0.76060(10) 0.29049(15) 0.0143(4) Uani 1 1 d . . . . .
C8 C 0.27229(19) 0.51153(11) 0.58641(17) 0.0176(4) Uani 1 1 d . . . . .
O2 O 0.3784(5) 0.7333(4) 0.6163(3) 0.0372(19) Uani 0.682(16) 1 d . U P . .
C12 C 0.14076(19) 0.52279(12) 0.57971(17) 0.0204(5) Uani 1 1 d . . . . .
H12 H 0.097900 0.549694 0.625729 0.024 Uiso 1 1 calc R U . . .
C10 C 0.14152(19) 0.45654(12) 0.43938(18) 0.0219(5) Uani 1 1 d . . . . .
H10 H 0.096238 0.437742 0.387643 0.026 Uiso 1 1 calc R U . . .
C11 C 0.07075(18) 0.49461(11) 0.50526(18) 0.0211(5) Uani 1 1 d . . . . .
C6 C 0.29210(19) 0.77773(12) 0.43719(17) 0.0201(5) Uani 1 1 d . . . . .
H6 H 0.235937 0.784508 0.488714 0.024 Uiso 1 1 calc R U . . .
C4 C 0.48616(19) 0.73005(12) 0.37511(18) 0.0201(5) Uani 1 1 d . . . . .
H4 H 0.563611 0.704272 0.381971 0.024 Uiso 1 1 calc R U . . .
C2 C 0.40186(19) 0.73761(13) 0.44993(18) 0.0225(5) Uani 1 1 d . . . . .
C1 C 0.4332(2) 0.70608(14) 0.54319(19) 0.0291(6) Uani 1 1 d . . . . .
O6 O 0.3481(5) 0.7034(4) 0.6027(5) 0.0146(18) Uiso 0.318(16) 1 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 O3 2.1540(11) . ?
Co1 O4 2.0558(14) . ?
Co1 O5 2.0706(15) 3_656 ?
Co1 O1 2.0711(15) . ?
Co1 N1 2.1464(17) 4_566 ?
Co1 N2 2.1777(18) 5_666 ?
O4 C7 1.251(2) . ?
O5 C7 1.267(3) . ?
O1 C1 1.260(3) . ?
N1 C5 1.337(3) . ?
N1 C6 1.346(3) . ?
N2 C9 1.339(3) . ?
N2 C10 1.358(3) . ?
C5 H5 0.9500 . ?
C5 C3 1.386(3) . ?
C7 C8 1.512(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.393(3) . ?
C3 C3 1.482(4) 3_655 ?
C3 C4 1.386(3) . ?
C8 C12 1.385(3) . ?
O2 C1 1.303(5) . ?
O2 O6 0.686(5) . ?
C12 H12 0.9500 . ?
C12 C11 1.401(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.404(3) . ?
C11 C11 1.490(4) 5_566 ?
C6 H6 0.9500 . ?
C6 C2 1.389(3) . ?
C4 H4 0.9500 . ?
C4 C2 1.392(3) . ?
C2 C1 1.505(3) . ?
C1 O6 1.228(6) . ?

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
O3 Co1 N2 178.57(6) . 5_666 ?
O4 Co1 O3 89.93(5) . . ?
O4 Co1 O5 93.86(6) . 3_656 ?
O4 Co1 O1 87.80(6) . . ?
O4 Co1 N1 173.69(7) . 4_566 ?
O4 Co1 N2 90.25(6) . 5_666 ?
O5 Co1 O3 89.20(5) 3_656 . ?
O5 Co1 O1 177.90(6) 3_656 . ?
O5 Co1 N1 91.64(6) 3_656 4_566 ?
O5 Co1 N2 92.20(7) 3_656 5_666 ?
O1 Co1 O3 89.51(5) . . ?
O1 Co1 N1 86.78(6) . 4_566 ?
O1 Co1 N2 89.08(7) . 5_666 ?
N1 Co1 O3 93.23(6) 4_566 . ?
N1 Co1 N2 86.46(7) 4_566 5_666 ?
Co1 O3 Co1 114.86(9) . 3_656 ?
C7 O4 Co1 133.05(13) . . ?
C7 O5 Co1 123.95(12) . 3_656 ?
C1 O1 Co1 130.14(16) . . ?
C5 N1 Co1 119.21(14) . 4_466 ?
C5 N1 C6 117.94(18) . . ?
C6 N1 Co1 121.52(14) . 4_466 ?
C9 N2 Co1 117.05(12) . 5_666 ?
C9 N2 C10 116.88(19) . . ?
C10 N2 Co1 126.07(15) . 5_666 ?
N1 C5 H5 118.5 . . ?
N1 C5 C3 123.0(2) . . ?
C3 C5 H5 118.5 . . ?
O4 C7 O5 128.50(19) . . ?
O4 C7 C8 114.16(19) . . ?
O5 C7 C8 117.32(18) . . ?
N2 C9 H9 118.3 . . ?
N2 C9 C8 123.50(17) . . ?
C8 C9 H9 118.3 . . ?
C5 C3 C3 118.1(2) . 3_655 ?
C4 C3 C5 118.7(2) . . ?
C4 C3 C3 123.0(2) . 3_655 ?
C9 C8 C7 119.04(18) . . ?
C12 C8 C7 122.3(2) . . ?
C12 C8 C9 118.6(2) . . ?
O6 O2 C1 68.4(7) . . ?
C8 C12 H12 119.9 . . ?
C8 C12 C11 120.2(2) . . ?
C11 C12 H12 119.9 . . ?
N2 C10 H10 117.8 . . ?
N2 C10 C11 124.4(2) . . ?
C11 C10 H10 117.8 . . ?
C12 C11 C10 116.39(18) . . ?
C12 C11 C11 122.3(3) . 5_566 ?
C10 C11 C11 121.3(3) . 5_566 ?
N1 C6 H6 118.5 . . ?
N1 C6 C2 123.0(2) . . ?
C2 C6 H6 118.5 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C2 119.13(19) . . ?
C2 C4 H4 120.4 . . ?
C6 C2 C4 118.2(2) . . ?
C6 C2 C1 121.3(2) . . ?
C4 C2 C1 120.47(19) . . ?
O1 C1 O2 126.0(2) . . ?
O1 C1 C2 115.7(2) . . ?
O2 C1 C2 117.2(2) . . ?
O6 C1 O1 121.0(4) . . ?
O6 C1 O2 31.3(2) . . ?
O6 C1 C2 118.6(3) . . ?
O2 O6 C1 80.4(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 O4 C7 O5 -48.3(3) . . . . ?
Co1 O4 C7 C8 129.91(17) . . . . ?
Co1 O5 C7 O4 -1.5(3) 3_656 . . . ?
Co1 O5 C7 C8 -179.68(14) 3_656 . . . ?
Co1 O1 C1 O2 6.4(6) . . . . ?
Co1 O1 C1 C2 173.80(15) . . . . ?
Co1 O1 C1 O6 -30.9(6) . . . . ?
Co1 N1 C5 C3 164.81(15) 4_466 . . . ?
Co1 N1 C6 C2 -166.92(18) 4_466 . . . ?
Co1 N2 C9 C8 178.67(17) 5_666 . . . ?
Co1 N2 C10 C11 179.52(18) 5_666 . . . ?
O4 C7 C8 C9 13.5(3) . . . . ?
O4 C7 C8 C12 -164.9(2) . . . . ?
O5 C7 C8 C9 -168.1(2) . . . . ?
O5 C7 C8 C12 13.6(3) . . . . ?
O1 C1 O6 O2 109.3(6) . . . . ?
N1 C5 C3 C3 -172.48(18) . . . 3_655 ?
N1 C5 C3 C4 2.4(3) . . . . ?
N1 C6 C2 C4 2.4(4) . . . . ?
N1 C6 C2 C1 179.2(2) . . . . ?
N2 C9 C8 C7 -176.2(2) . . . . ?
N2 C9 C8 C12 2.1(4) . . . . ?
N2 C10 C11 C12 1.2(4) . . . . ?
N2 C10 C11 C11 180.0(3) . . . 5_566 ?
C5 N1 C6 C2 -0.2(3) . . . . ?
C5 C3 C4 C2 -0.1(3) . . . . ?
C7 C8 C12 C11 177.8(2) . . . . ?
C9 N2 C10 C11 0.3(4) . . . . ?
C9 C8 C12 C11 -0.5(4) . . . . ?
C3 C3 C4 C2 174.51(18) 3_655 . . . ?
C3 C4 C2 C6 -2.1(3) . . . . ?
C3 C4 C2 C1 -179.0(2) . . . . ?
C8 C12 C11 C10 -1.1(4) . . . . ?
C8 C12 C11 C11 -179.8(3) . . . 5_566 ?
C10 N2 C9 C8 -2.0(3) . . . . ?
C6 N1 C5 C3 -2.2(3) . . . . ?
C6 C2 C1 O1 171.4(2) . . . . ?
C6 C2 C1 O2 -20.0(6) . . . . ?
C6 C2 C1 O6 15.5(6) . . . . ?
C4 C2 C1 O1 -11.8(4) . . . . ?
C4 C2 C1 O2 156.8(5) . . . . ?
C4 C2 C1 O6 -167.8(5) . . . . ?
C2 C1 O6 O2 -96.1(6) . . . . ?
O6 O2 C1 O1 -91.8(7) . . . . ?
O6 O2 C1 C2 101.0(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.628 0.113 0.250 230.3 43.1 ?
2 -0.746 0.387 0.750 230.3 43.4 ?
3 -0.037 0.613 0.250 230.3 43.1 ?
4 -0.164 0.887 0.750 230.3 43.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.063
_oxdiff_exptl_absorpt_empirical_full_min 0.373
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_NIMOF-gsas1
_database_code_depnum_ccdc_archive 'CCDC 2345233'
loop_
_audit_author_name
_audit_author_address
COTYUT
;The Cambridge Structural Database (CSD)
China
;
_audit_update_record             
;
2024-04-02 deposited with the CCDC.	2024-05-22 downloaded from the CCDC.
;
_pd_block_id                     2023-08-23T20:58|NIMOF-gsas1|noname|NIMOF
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2023-08-23T20:58

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

_pd_proc_info_datetime           2023-08-23T20:58
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     20
_refine_ls_goodness_of_fit_all   2.007
_refine_ls_shift/su_max          1.5834

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.06176
_refine_ls_matrix_type           full
# GSAS-II edited template follows Phase_Template
#==============================================================================
# 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_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-II



# phase info for C24 H12 Ni2 N4 O9 follows
_pd_phase_name                   'C24 H12 Ni2 N4 O9'
_cell_length_a                   10.28971(22)
_cell_length_b                   18.6265(4)
_cell_length_c                   14.3605(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2752.35(8)
_exptl_crystal_density_diffrn    1.4909
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2+y,z
3 x,-y,1/2+z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2+x,1/2-y,-z
7 -x,y,1/2-z
8 1/2+x,1/2+y,1/2-z

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Ni1 Ni 0.61462(31) 0.61412(17) 0.65419(21) 1.000 Uani 0.007 8
O3 O 0.50000 0.6698(6) 0.75000 1.000 Uani 0.014 4
O4 O 0.4698(8) 0.5402(4) 0.6420(6) 1.000 Uani 0.015 8
O5 O 0.2963(7) 0.5731(5) 0.7304(6) 1.000 Uani 0.015 8
O1 O 0.5294(9) 0.6696(6) 0.5417(6) 1.000 Uani 0.018 8
N1 N 0.26168 0.80745 0.35519 1.000 Uani 0.014 8
N2 N 0.27035 0.44477 0.44463 1.000 Uani 0.016 8
C5 C 0.34167 0.79771 0.28326 1.000 Uani 0.015 8
H5 H 0.31938 0.81710 0.22454 1.000 Uiso 0.018 8
C7 C 0.35320 0.54277 0.66344 1.000 Uani 0.015 8
C9 C 0.33230 0.47143 0.51827 1.000 Uani 0.018 8
H9 H 0.42196 0.46253 0.52437 1.000 Uiso 0.021 8
C3 C 0.45562 0.76060 0.29049 1.000 Uani 0.014 8
C8 C 0.27229 0.51153 0.58641 1.000 Uani 0.018 8
O2 O 0.3750(10) 0.7238(5) 0.6088(6) 1.000 Uani 0.037 8
C12 C 0.14076 0.52279 0.57971 1.000 Uani 0.020 8
H12 H 0.09790 0.54969 0.62573 1.000 Uiso 0.024 8
C10 C 0.14152 0.45654 0.43938 1.000 Uani 0.022 8
H10 H 0.09624 0.43774 0.38764 1.000 Uiso 0.026 8
C11 C 0.07075 0.49461 0.50526 1.000 Uani 0.021 8
C6 C 0.29210 0.77773 0.43719 1.000 Uani 0.020 8
H6 H 0.23594 0.78451 0.48871 1.000 Uiso 0.024 8
C4 C 0.48616 0.73005 0.37511 1.000 Uani 0.020 8
H4 H 0.56361 0.70427 0.38197 1.000 Uiso 0.024 8
C2 C 0.40186 0.73761 0.44993 1.000 Uani 0.022 8
C1 C 0.43320 0.70608 0.54319 1.000 Uani 0.029 8


loop_
_atom_type_symbol
_atom_type_number_in_cell
_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_length_neutron
_atom_type_scat_source
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_dispersion_source
C 96 2.31 1.02 1.5886 0.865 20.8439 10.2075 0.5687 51.6512 0.2156 0.6648
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.018 0.009
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
H 48 0.493 0.3229 0.1402 0.0408 10.5109 26.1257 3.1424 57.7997 0.003 -0.3741
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.000 0.000
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
N 16 12.2126 3.1322 2.0125 1.1663 0.0057 9.8933 28.9975 0.5826 -11.529 0.936
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.031 0.018
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
Ni 8 12.8376 7.292 4.4438 2.38 3.8785 0.2565 12.1763 66.3421 1.0341 1.03
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py -3.004 0.509
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py
O 36 3.0485 2.2868 1.5463 0.867 13.2771 5.7011 0.3239 32.9089 0.2508 0.5805
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py 0.049 0.032
https://subversion.xray.aps.anl.gov/pyGSAS/trunk/atmdata.py

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            4
_chemical_formula_sum            'C24 H12 N4 Ni2 O9'
_chemical_formula_weight         617.78

# 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
Ni1 O3 2.088(5) 1_555 1_555 yes
Ni1 O4 2.037(7) 1_555 1_555 yes
Ni1 O5 2.043(7) 1_555 7_657 yes
Ni1 O1 2.108(8) 1_555 1_555 yes
Ni1 N1 2.108(3) 1_555 6_676 yes
Ni1 N2 2.1489(23) 1_555 5_666 yes
O3 Ni1 2.088(5) 1_555 1_555 yes
O3 Ni1 2.088(5) 1_555 7_657 yes
O4 Ni1 2.037(7) 1_555 1_555 yes
O4 C7 1.239(8) 1_555 1_555 yes
O5 Ni1 2.043(7) 1_555 7_657 yes
O5 C7 1.259(9) 1_555 1_555 yes
O1 Ni1 2.108(8) 1_555 1_555 yes
O1 C1 1.201(9) 1_555 1_555 yes
N1 Ni1 2.108(3) 1_555 6_576 yes
N1 C5 1.33317 1_555 1_555 yes
N1 C6 1.33831 1_555 1_555 yes
N2 Ni1 2.1489(23) 1_555 5_666 yes
N2 C9 1.33088 1_555 1_555 yes
N2 C10 1.34574 1_555 1_555 yes
C5 N1 1.33317 1_555 1_555 yes
C5 H5 0.94554 1_555 1_555 yes
C5 C3 1.36505 1_555 1_555 yes
H5 C5 0.94554 1_555 1_555 yes
C7 O4 1.239(8) 1_555 1_555 yes
C7 O5 1.259(9) 1_555 1_555 yes
C7 C8 1.50179 1_555 1_555 yes
C9 N2 1.33088 1_555 1_555 yes
C9 H9 0.94141 1_555 1_555 yes
C9 C8 1.3772 1_555 1_555 yes
H9 C9 0.94141 1_555 1_555 yes
C3 C5 1.36505 1_555 1_555 yes
C3 C3 1.47868 1_555 7_656 yes
C3 C4 1.37812 1_555 1_555 yes
C8 C7 1.50179 1_555 1_555 yes
C8 C9 1.3772 1_555 1_555 yes
C8 C12 1.37294 1_555 1_555 yes
O2 C1 1.164(10) 1_555 1_555 yes
C12 C8 1.37294 1_555 1_555 yes
C12 H12 0.93934 1_555 1_555 yes
C12 C11 1.39195 1_555 1_555 yes
H12 C12 0.93934 1_555 1_555 yes
C10 N2 1.34574 1_555 1_555 yes
C10 H10 0.9443 1_555 1_555 yes
C10 C11 1.38858 1_555 1_555 yes
H10 C10 0.9443 1_555 1_555 yes
C11 C12 1.39195 1_555 1_555 yes
C11 C10 1.38858 1_555 1_555 yes
C11 C11 1.47752 1_555 5_566 yes
C6 N1 1.33831 1_555 1_555 yes
C6 H6 0.9473 1_555 1_555 yes
C6 C2 1.36655 1_555 1_555 yes
H6 C6 0.9473 1_555 1_555 yes
C4 C3 1.37812 1_555 1_555 yes
C4 H4 0.93562 1_555 1_555 yes
C4 C2 1.38805 1_555 1_555 yes
H4 C4 0.93562 1_555 1_555 yes
C2 C6 1.36655 1_555 1_555 yes
C2 C4 1.38805 1_555 1_555 yes
C2 C1 1.4975 1_555 1_555 yes
C1 O1 1.201(9) 1_555 1_555 yes
C1 O2 1.164(10) 1_555 1_555 yes
C1 C2 1.4975 1_555 1_555 yes

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
C5 N1 C6 118.754 1_555 1_555 1_555 yes
C9 N2 C10 117.099 1_555 1_555 1_555 yes
N1 C5 H5 119.289 1_555 1_555 1_555 yes
N1 C5 C3 122.703 1_555 1_555 1_555 yes
H5 C5 C3 118.008 1_555 1_555 1_555 yes
O4 C7 O5 131.1(5) 1_555 1_555 1_555 yes
O4 C7 C8 109.8(4) 1_555 1_555 1_555 yes
O5 C7 C8 118.6(4) 1_555 1_555 1_555 yes
N2 C9 H9 118.531 1_555 1_555 1_555 yes
N2 C9 C8 123.517 1_555 1_555 1_555 yes
H9 C9 C8 117.952 1_555 1_555 1_555 yes
C5 C3 C3 118.081 1_555 1_555 7_656 yes
C5 C3 C4 118.165 1_555 1_555 1_555 yes
C3 C3 C4 123.547 7_656 1_555 1_555 yes
C7 C8 C9 119.008 1_555 1_555 1_555 yes
C7 C8 C12 122.609 1_555 1_555 1_555 yes
C9 C8 C12 118.362 1_555 1_555 1_555 yes
C8 C12 H12 119.671 1_555 1_555 1_555 yes
C8 C12 C11 120.424 1_555 1_555 1_555 yes
H12 C12 C11 119.905 1_555 1_555 1_555 yes
N2 C10 H10 118.016 1_555 1_555 1_555 yes
N2 C10 C11 124.167 1_555 1_555 1_555 yes
H10 C10 C11 117.817 1_555 1_555 1_555 yes
C12 C11 C10 116.39 1_555 1_555 1_555 yes
C12 C11 C11 122.499 1_555 1_555 5_566 yes
C10 C11 C11 121.099 1_555 1_555 5_566 yes
N1 C6 H6 119.304 1_555 1_555 1_555 yes
N1 C6 C2 122.5 1_555 1_555 1_555 yes
H6 C6 C2 118.196 1_555 1_555 1_555 yes
C3 C4 H4 119.933 1_555 1_555 1_555 yes
C3 C4 C2 119.878 1_555 1_555 1_555 yes
H4 C4 C2 120.189 1_555 1_555 1_555 yes
C6 C2 C4 117.925 1_555 1_555 1_555 yes
C6 C2 C1 120.808 1_555 1_555 1_555 yes
C4 C2 C1 121.192 1_555 1_555 1_555 yes
O1 C1 O2 126.7(5) 1_555 1_555 1_555 yes
O1 C1 C2 112.6(4) 1_555 1_555 1_555 yes
O2 C1 C2 120.2(4) 1_555 1_555 1_555 yes
_pd_proc_ls_pref_orient_corr     
;
Simple spherical harmonic correction Order = 26
    Coefficients:  0:0:C(2,0) = -2.1308; 0:0:C(2,2) = -3.4069; 
    0:0:C(4,0) = -0.0529; 0:0:C(4,2) = 2.8349; 0:0:C(4,4) = -5.2663; 
    0:0:C(6,0) = -0.7506; 0:0:C(6,2) = 6.5614; 0:0:C(6,4) = 2.1905; 
    0:0:C(6,6) = 5.6328; 0:0:C(8,0) = 0.0233; 0:0:C(8,2) = 0.7862; 
    0:0:C(8,4) = 6.3528; 0:0:C(8,6) = 6.9869; 0:0:C(8,8) = -11.0664; 
    0:0:C(10,0) = 20.2252; 0:0:C(10,2) = -4.6841; 0:0:C(10,4) = 5.3418; 
    0:0:C(10,6) = -4.2404; 0:0:C(10,8) = -2.8632; 0:0:C(10,10) = 12.6786; 
    0:0:C(12,0) = 2.0862; 0:0:C(12,2) = -9.3830; 0:0:C(12,4) = 18.7134; 
    0:0:C(12,6) = -4.2719; 0:0:C(12,8) = 7.5516; 0:0:C(12,10) = 2.9914; 
    0:0:C(12,12) = -1.7571; 0:0:C(14,0) = 7.5640; 0:0:C(14,2) = -9.0611; 
    0:0:C(14,4) = -0.4186; 0:0:C(14,6) = -4.8317; 0:0:C(14,8) = 6.7300; 
    0:0:C(14,10) = -1.5733; 0:0:C(14,12) = -2.0408; 0:0:C(14,14) = 10.0573; 
    0:0:C(16,0) = -1.6122; 0:0:C(16,2) = 8.6436; 0:0:C(16,4) = 8.0703; 
    0:0:C(16,6) = 6.8662; 0:0:C(16,8) = 6.1989; 0:0:C(16,10) = -9.4624; 
    0:0:C(16,12) = 0.8410; 0:0:C(16,14) = -3.9524; 0:0:C(16,16) = 12.4014; 
    0:0:C(18,0) = -15.2753; 0:0:C(18,2) = -16.1500; 0:0:C(18,4) = 3.3190; 
    0:0:C(18,6) = -3.8557; 0:0:C(18,8) = -9.7056; 0:0:C(18,10) = 3.5878; 
    0:0:C(18,12) = 10.7430; 0:0:C(18,14) = -7.1909; 0:0:C(18,16) = 5.8163; 
    0:0:C(18,18) = 0.1064; 0:0:C(20,0) = 7.9483; 0:0:C(20,2) = 9.2904; 
    0:0:C(20,4) = -13.6989; 0:0:C(20,6) = -6.6318; 0:0:C(20,8) = -11.1320; 
    0:0:C(20,10) = -2.4722; 0:0:C(20,12) = 2.7847; 0:0:C(20,14) = -6.1385; 
    0:0:C(20,16) = 20.2046; 0:0:C(20,18) = -34.1432; 0:0:C(20,20) = -10.6514; 
    0:0:C(22,0) = -6.5708; 0:0:C(22,2) = -3.4067; 0:0:C(22,4) = -3.9522; 
    0:0:C(22,6) = -3.7039; 0:0:C(22,8) = 6.1922; 0:0:C(22,10) = 9.8320; 
    0:0:C(22,12) = -1.9165; 0:0:C(22,14) = 2.1276; 0:0:C(22,16) = -2.0254; 
    0:0:C(22,18) = 5.4526; 0:0:C(22,20) = 1.7108; 0:0:C(22,22) = 11.2544; 
    0:0:C(24,0) = -9.0767; 0:0:C(24,2) = -0.0870; 0:0:C(24,4) = 0.4021; 
    0:0:C(24,6) = -1.0023; 0:0:C(24,8) = -8.4251; 0:0:C(24,10) = 4.8693; 
    0:0:C(24,12) = -1.8634; 0:0:C(24,14) = 10.3137; 0:0:C(24,16) = -7.0594; 
    0:0:C(24,18) = -5.4932; 0:0:C(24,20) = -22.6942; 0:0:C(24,22) = -30.6482; 
    0:0:C(24,24) = 2.5250; 0:0:C(26,0) = -2.4437; 0:0:C(26,2) = -8.2509; 
    0:0:C(26,4) = -0.3201; 0:0:C(26,6) = -3.1896; 0:0:C(26,8) = -6.4607; 
    0:0:C(26,10) = 7.6984; 0:0:C(26,12) = -8.1001; 0:0:C(26,14) = 7.3014; 
    0:0:C(26,16) = 11.4374; 0:0:C(26,18) = -0.4699; 0:0:C(26,20) = 9.1499; 
    0:0:C(26,22) = 4.6614; 0:0:C(26,24) = -4.7193; 0:0:C(26,26) = -2.2457; 
;
_pd_proc_ls_profile_function     
;
Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    -1000.340, 155.812, -8.680, 0.000, -6.257, 0.040, 
  Crystallite size in microns with "ellipsoidal" model:
  parameters: S11, S22, S33, S12, S13, S23, G/L mix
    1.000, 1.000, 1.000, 0.000, 0.000, 0.000, 1.078, 
  Microstrain, "generalized" model (10^6^ * delta Q/Q)
  parameters: S400, S040, S004, S220, S202, S022, G/L mix
    0.010, 0.010, 0.010, 0.010, 0.010, 0.010, 434.490, 

;
# GSAS-II edited template follows Instrument_Template
#==============================================================================
# 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_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'


_diffrn_radiation_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.07118
_refine_ls_R_Fsqd_factor         0.14172
_pd_proc_ls_prof_R_factor        0.04683
_pd_proc_ls_prof_wR_factor       0.06127
_gsas_proc_ls_prof_R_B_factor    0.04907
_gsas_proc_ls_prof_wR_B_factor   0.06218
_pd_proc_ls_prof_wR_expected     0.03079
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 0.7000
_pd_proc_ls_background_function  
;
Background function: "chebyschev-1" function with 10 terms:
    637.385, 9.766, -55.719, 24.535, 8.013, -3.152, -21.884, 
    -12.838, 6.603, -11.625, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             128
_reflns_limit_h_min              0
_reflns_limit_h_max              4
_reflns_limit_k_min              0
_reflns_limit_k_max              8
_reflns_limit_l_min              0
_reflns_limit_l_max              6
_reflns_d_resolution_low         9.313
_reflns_d_resolution_high        2.256

# POWDER DATA TABLE
_pd_meas_number_of_points        11418

loop_
_pd_meas_2theta_scan
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
5.00000 529 569.40512 567.71071 0.001890359
5.00307 526 569.23932 567.54328 0.001901141
5.00613 565 569.0746 567.37692 0.001769912
5.00920 593 568.91097 567.21164 0.001686341
5.01226 591 568.74841 567.04744 0.001692047
5.01533 581 568.58687 566.88425 0.00172117
5.01839 584 568.42646 566.72219 0.001712329
5.02146 602 568.26712 566.5612 0.00166113
5.02452 560 568.10885 566.40127 0.001785714
5.02759 547 567.95164 566.2424 0.001828154
5.03065 560 567.79549 566.08459 0.001785714
5.03372 558 567.64039 565.92783 0.001792115
5.03678 578 567.48636 565.77213 0.001730104
5.03985 555 567.33337 565.61747 0.001801802
5.04291 581 567.18139 565.46382 0.00172117
5.04598 559 567.0305 565.31126 0.001788909
5.04904 554 566.88065 565.15974 0.001805054
5.05211 567 566.73185 565.00926 0.001763668
5.05517 551 566.58409 564.85981 0.001814882
5.05824 580 566.43736 564.7114 0.001724138
5.06130 560 566.29166 564.56402 0.001785714
5.06437 570 566.147 564.41767 0.001754386
5.06743 591 566.00336 564.27234 0.001692047
5.07050 553 565.86075 564.12803 0.001808318
5.07356 577 565.71916 563.98475 0.001733102
5.07663 602 565.57858 563.84248 0.00166113
5.07969 570 565.43903 563.70122 0.001754386
5.08276 501 565.30049 563.56098 0.001996008
5.08582 562 565.20491 563.4217 0.001779359
5.08889 544 565.06841 563.28347 0.001838235
5.09195 582 564.93292 563.14625 0.001718213
5.09502 543 564.79843 563.01002 0.001841621
5.09808 564 564.66494 562.8748 0.00177305
5.10115 561 564.53245 562.74056 0.001782531
5.10421 505 564.40095 562.60732 0.001980198
5.10728 546 564.27045 562.47508 0.001831502
5.11034 541 564.14093 562.34381 0.001848429
5.11341 560 564.01236 562.21349 0.001785714
5.11647 513 563.88482 562.0842 0.001949318
5.11954 550 563.75826 561.95588 0.001818182
5.12260 533 563.63268 561.82854 0.001876173
5.12567 554 563.50808 561.70218 0.001805054
5.12873 601 563.40545 561.57678 0.001663894
5.13180 537 563.3548 561.45236 0.001862197
5.13486 566 563.23317 561.3289 0.001766784
5.13793 535 563.1125 561.2064 0.001869159
5.14100 578 562.99276 561.08482 0.001730104
5.14406 534 562.87402 560.96425 0.001872659
5.14712 577 562.75623 560.84462 0.001733102
5.15019 554 562.63941 560.72595 0.001805054
5.15325 549 562.52353 560.60824 0.001821494
5.15632 581 562.40861 560.49146 0.00172117
5.15939 514 562.29463 560.37564 0.001945525
5.16245 574 562.1816 560.26075 0.00174216
5.16552 560 562.06951 560.14681 0.001785714
5.16858 576 561.99434 560.03376 0.001736111
5.17165 589 561.88415 559.92169 0.001697793
5.17471 523 561.7749 559.81055 0.001912046
5.17778 577 561.66657 559.70034 0.001733102
5.18084 544 561.55918 559.59105 0.001838235
5.18391 596 561.45272 559.48269 0.001677852
5.18697 526 561.34718 559.37525 0.001901141
5.19004 537 561.24256 559.26873 0.001862197
5.19310 586 561.13887 559.16313 0.001706485
5.19617 555 561.03605 559.05841 0.001801802
5.19923 578 560.93418 558.95463 0.001730104
5.20230 562 560.83326 558.85179 0.001779359
5.20536 564 560.73322 558.74983 0.00177305
5.20843 534 560.63408 558.64877 0.001872659
5.21149 582 560.53581 558.54858 0.001718213
5.21456 605 560.43848 558.44932 0.001652893
5.21762 558 560.34204 558.35096 0.001792115
5.22069 561 560.24651 558.2535 0.001782531
5.22375 592 560.15186 558.15692 0.001689189
5.22682 542 560.05811 558.06123 0.001845018
5.22988 608 559.96525 557.96643 0.001644737
5.23295 559 559.87327 557.87251 0.001788909
5.23601 584 559.78218 557.77947 0.001712329
5.23908 551 559.69194 557.68729 0.001814882
5.24214 590 559.60261 557.59601 0.001694915
5.24521 549 559.51416 557.5056 0.001821494
5.24827 539 559.42658 557.41606 0.001855288
5.25134 550 559.33987 557.32739 0.001818182
5.25440 596 559.25403 557.23959 0.001677852
5.25747 541 559.16906 557.15266 0.001848429
5.26053 525 559.08495 557.06658 0.001904762
5.26360 586 559.00171 556.98136 0.001706485
5.26666 555 558.91929 556.89698 0.001801802
5.26973 573 558.83777 556.81347 0.001745201
5.27279 531 558.75709 556.73082 0.001883239
5.27586 552 558.67727 556.64901 0.001811594
5.27892 574 558.5983 556.56806 0.00174216
5.28199 578 558.52017 556.48794 0.001730104
5.28505 591 558.44289 556.40867 0.001692047
5.28812 532 558.36646 556.33024 0.001879699
5.29118 614 558.29086 556.25264 0.001628664
5.29425 548 558.21608 556.17586 0.001824818
5.29732 555 558.14215 556.09993 0.001801802
5.30038 563 558.06906 556.02483 0.001776199
5.30344 532 557.9968 555.95057 0.001879699
5.30651 550 557.92537 555.87712 0.001818182
5.30957 565 557.85476 555.8045 0.001769912
5.31264 569 557.78498 555.7327 0.001757469
5.31571 552 557.71602 555.66171 0.001811594
5.31877 517 557.64788 555.59154 0.001934236
5.32184 569 557.58053 555.52217 0.001757469
5.32490 526 557.51401 555.45362 0.001901141
5.32797 579 557.44831 555.38589 0.001727116
5.33103 574 557.38342 555.31896 0.00174216
5.33409 525 557.31936 555.25285 0.001904762
5.33716 578 557.25605 555.18751 0.001730104
5.34023 573 557.19358 555.12298 0.001745201
5.34329 552 557.1319 555.05925 0.001811594
5.34636 556 557.07102 554.99632 0.001798561
5.34942 553 557.01093 554.93418 0.001808318
5.35249 534 556.95164 554.87283 0.001872659
5.35555 532 556.89313 554.81226 0.001879699
5.35862 547 556.83542 554.75248 0.001828154
5.36168 533 556.77849 554.69349 0.001876173
5.36475 626 556.72233 554.63525 0.001597444
5.36781 595 556.66696 554.57781 0.001680672
5.37088 569 556.61238 554.52115 0.001757469
5.37394 524 556.55857 554.46526 0.001908397
5.37701 565 556.50554 554.41014 0.001769912
5.38007 597 556.45327 554.35579 0.001675042
5.38314 517 556.40178 554.30221 0.001934236
5.38620 551 556.35106 554.2494 0.001814882
5.38927 464 556.3011 554.19734 0.002155172
5.39233 557 556.25189 554.14603 0.001795332
5.39540 577 556.20345 554.09549 0.001733102
5.39846 560 556.15578 554.04571 0.001785714
5.40153 549 556.10886 553.99668 0.001821494
5.40459 531 556.06269 553.9484 0.001883239
5.40766 577 556.01728 553.90087 0.001733102
5.41072 570 555.97261 553.85408 0.001754386
5.41379 572 555.92869 553.80804 0.001748252
5.41685 588 555.88552 553.76274 0.00170068
5.41992 580 555.84308 553.71817 0.001724138
5.42298 588 555.80139 553.67435 0.00170068
5.42605 556 555.76044 553.63126 0.001798561
5.42911 517 555.72022 553.58891 0.001934236
5.43218 533 555.68074 553.54729 0.001876173
5.43524 540 555.64199 553.50639 0.001851852
5.43831 589 555.60397 553.46622 0.001697793
5.44137 586 555.56668 553.42678 0.001706485
5.44444 554 555.53011 553.38806 0.001805054
5.44750 548 555.49425 553.35004 0.001824818
5.45057 580 555.45913 553.31276 0.001724138
5.45364 565 555.42473 553.27619 0.001769912
5.45670 540 555.39104 553.24033 0.001851852
5.45976 552 555.35806 553.20518 0.001811594
5.46283 514 555.3258 553.17074 0.001945525
5.46589 595 555.29425 553.13701 0.001680672
5.46896 545 555.2634 553.10398 0.001834862
5.47203 550 555.23326 553.07166 0.001818182
5.47509 572 555.20382 553.04003 0.001748252
5.47816 580 555.17509 553.0091 0.001724138
5.48122 573 555.14705 552.97887 0.001745201
5.48428 557 555.11971 552.94933 0.001795332
5.48735 544 555.09306 552.92049 0.001838235
5.49042 598 555.0671 552.89232 0.001672241
5.49348 574 555.04184 552.86485 0.00174216
5.49655 557 555.01727 552.83806 0.001795332
5.49961 569 554.99338 552.81196 0.001757469
5.50268 591 554.97018 552.78653 0.001692047
5.50574 578 554.94765 552.76179 0.001730104
5.50881 581 554.92581 552.73772 0.00172117
5.51187 578 554.90465 552.71433 0.001730104
5.51494 535 554.88416 552.6916 0.001869159
5.51800 550 554.86434 552.66954 0.001818182
5.52107 546 554.84519 552.64816 0.001831502
5.52413 533 554.82672 552.62744 0.001876173
5.52720 589 554.80891 552.60739 0.001697793
5.53026 557 554.79177 552.588 0.001795332
5.53333 573 554.77529 552.56926 0.001745201
5.53639 521 554.75947 552.55119 0.001919386
5.53946 587 554.74431 552.53376 0.001703578
5.54252 574 554.83558 552.517 0.00174216
5.54559 528 554.82183 552.50088 0.001893939
5.54865 546 554.80874 552.48541 0.001831502
5.55172 567 554.79631 552.47059 0.001763668
5.55478 569 554.78452 552.45641 0.001757469
5.55785 578 554.77338 552.44288 0.001730104
5.56091 533 554.76288 552.42999 0.001876173
5.56398 543 554.75303 552.41774 0.001841621
5.56704 570 554.74382 552.40612 0.001754386
5.57011 534 554.73524 552.39514 0.001872659
5.57317 567 555.05426 552.38479 0.001763668
5.57624 552 555.04741 552.37507 0.001811594
5.57930 533 555.04119 552.36598 0.001876173
5.58237 557 555.03561 552.35752 0.001795332
5.58543 550 555.03065 552.34968 0.001818182
5.58850 572 555.02633 552.34247 0.001748252
5.59156 559 555.02262 552.33587 0.001788909
5.59463 525 555.01954 552.32989 0.001904762
5.59769 574 555.15411 552.32453 0.00174216
5.60076 562 555.15248 552.31979 0.001779359
5.60382 578 555.15146 552.31565 0.001730104
5.60689 582 555.15105 552.31213 0.001718213
5.60995 527 555.15126 552.30922 0.001897533
5.61302 577 555.15208 552.30691 0.001733102
5.61608 556 555.15351 552.30521 0.001798561
5.61915 586 555.15555 552.3041 0.001706485
5.62221 559 555.1582 552.3036 0.001788909
5.62528 567 555.16145 552.3037 0.001763668
5.62835 577 555.1653 552.3044 0.001733102
5.63141 565 555.16975 552.30569 0.001769912
5.63448 550 555.1748 552.30757 0.001818182
5.63754 576 555.18044 552.31004 0.001736111
5.64060 552 555.18668 552.3131 0.001811594
5.64367 573 555.19351 552.31675 0.001745201
5.64674 525 555.20093 552.32099 0.001904762
5.64980 551 555.20894 552.3258 0.001814882
5.65287 573 555.21754 552.3312 0.001745201
5.65593 582 555.22672 552.33718 0.001718213
5.65900 607 555.23648 552.34373 0.001647446
5.66206 555 555.24683 552.35086 0.001801802
5.66513 550 555.25775 552.35856 0.001818182
5.66819 579 555.26925 552.36683 0.001727116
5.67126 597 555.28133 552.37567 0.001675042
5.67432 564 555.29398 552.38508 0.00177305
5.67739 535 555.30719 552.39506 0.001869159
5.68045 559 555.32098 552.4056 0.001788909
5.68352 560 555.33534 552.4167 0.001785714
5.68658 542 555.35026 552.42836 0.001845018
5.68965 557 555.36574 552.44058 0.001795332
5.69271 554 555.53547 552.45335 0.001805054
5.69578 569 555.55216 552.46668 0.001757469
5.69884 556 555.56941 552.48056 0.001798561
5.70191 537 555.5872 552.49499 0.001862197
5.70497 563 555.60555 552.50997 0.001776199
5.70804 552 555.62446 552.5255 0.001811594
5.71110 537 555.64391 552.54157 0.001862197
5.71417 618 555.66392 552.55818 0.001618123
5.71723 522 555.68447 552.57533 0.001915709
5.72030 537 555.70556 552.59303 0.001862197
5.72336 580 555.7272 552.61126 0.001724138
5.72643 556 555.74939 552.63003 0.001798561
5.72949 581 555.77211 552.64933 0.00172117
5.73256 552 555.79536 552.66916 0.001811594
5.73562 569 555.89597 552.68951 0.001757469
5.73869 541 555.92034 552.7104 0.001848429
5.74175 548 555.94525 552.73182 0.001824818
5.74482 540 555.97067 552.75376 0.001851852
5.74788 591 555.99663 552.77623 0.001692047
5.75095 591 556.02311 552.79921 0.001692047
5.75401 584 556.05012 552.82271 0.001712329
5.75708 549 556.07765 552.84673 0.001821494
5.76014 530 556.1057 552.87126 0.001886792
5.76321 527 556.13428 552.89631 0.001897533
5.76627 553 556.16336 552.92187 0.001808318
5.76934 561 556.19298 552.94794 0.001782531
5.77241 621 556.2231 552.97452 0.001610306
5.77547 574 556.25373 553.0016 0.00174216
5.77853 535 556.28487 553.02919 0.001869159
5.78160 591 556.31652 553.05728 0.001692047
5.78467 550 556.34868 553.08587 0.001818182
5.78773 580 556.38134 553.11496 0.001724138
5.79080 548 556.41451 553.14455 0.001824818
5.79386 601 556.44818 553.17463 0.001663894
5.79693 555 556.48236 553.20521 0.001801802
5.79999 578 556.51703 553.23628 0.001730104
5.80306 526 556.55219 553.26784 0.001901141
5.80612 536 556.58785 553.29989 0.001865672
5.80919 588 556.624 553.33242 0.00170068
5.81225 550 556.66064 553.36544 0.001818182
5.81532 554 556.69777 553.39894 0.001805054
5.81838 568 556.73539 553.43292 0.001760563
5.82145 573 556.77349 553.46738 0.001745201
5.82451 575 556.8121 553.50233 0.00173913
5.82758 559 556.85117 553.53775 0.001788909
5.83064 596 556.89072 553.57364 0.001677852
5.83371 575 556.93075 553.61 0.00173913
5.83677 552 556.97126 553.64684 0.001811594
5.83984 572 557.01225 553.68414 0.001748252
5.84290 566 557.0537 553.72191 0.001766784
5.84597 544 557.09563 553.76015 0.001838235
5.84903 553 557.1401 553.79885 0.001808318
5.85210 525 557.18299 553.83803 0.001904762
5.85516 550 557.22633 553.87765 0.001818182
5.85823 639 557.27013 553.91773 0.001564945
5.86129 551 557.3144 553.95827 0.001814882
5.86436 597 557.35913 553.99927 0.001675042
5.86742 566 557.40433 554.04072 0.001766784
5.87049 579 557.44998 554.08262 0.001727116
5.87355 575 557.49608 554.12497 0.00173913
5.87662 536 557.54265 554.16777 0.001865672
5.87968 582 557.5907 554.21102 0.001718213
5.88275 566 557.63816 554.25471 0.001766784
5.88581 563 557.68608 554.29885 0.001776199
5.88888 562 557.73445 554.34343 0.001779359
5.89194 574 557.78327 554.38845 0.00174216
5.89501 562 557.83255 554.43392 0.001779359
5.89807 608 557.88225 554.47981 0.001644737
5.90114 578 557.9324 554.52615 0.001730104
5.90420 573 557.98299 554.57291 0.001745201
5.90727 556 558.03401 554.62011 0.001798561
5.91033 568 558.08548 554.66773 0.001760563
5.91340 528 558.13738 554.71579 0.001893939
5.91646 610 558.18971 554.76427 0.001639344
5.91953 582 558.24248 554.81318 0.001718213
5.92260 537 558.29569 554.86253 0.001862197
5.92566 555 558.34932 554.91228 0.001801802
5.92873 578 558.40337 554.96246 0.001730104
5.93179 581 558.45785 555.01305 0.00172117
5.93485 599 558.51276 555.06407 0.001669449
5.93792 542 558.56809 555.11549 0.001845018
5.94099 563 558.62383 555.16734 0.001776199
5.94405 556 558.68 555.21959 0.001798561
5.94712 597 558.73659 555.27226 0.001675042
5.95018 562 558.79361 555.32535 0.001779359
5.95325 600 558.85103 555.37883 0.001666667
5.95631 564 558.90886 555.43272 0.00177305
5.95938 542 558.9671 555.48701 0.001845018
5.96244 567 559.02575 555.54171 0.001763668
5.96551 594 559.08481 555.59681 0.001683502
5.96857 566 559.14428 555.6523 0.001766784
5.97164 552 559.20415 555.7082 0.001811594
5.97470 580 559.26443 555.76449 0.001724138
5.97777 557 559.32513 555.8212 0.001795332
5.98083 587 559.38621 555.87828 0.001703578
5.98390 589 559.44769 555.93575 0.001697793
5.98696 578 559.50956 555.99361 0.001730104
5.99003 543 559.57184 556.05187 0.001841621
5.99309 596 559.6345 556.1105 0.001677852
5.99616 566 559.69756 556.16953 0.001766784
5.99922 518 559.76102 556.22894 0.001930502
6.00229 529 559.82486 556.28873 0.001890359
6.00535 525 559.88909 556.3489 0.001904762
6.00842 572 559.9537 556.40945 0.001748252
6.01148 577 560.01871 556.47038 0.001733102
6.01455 548 560.08409 556.53169 0.001824818
6.01761 549 560.14986 556.59337 0.001821494
6.02068 581 560.21603 556.65544 0.00172117
6.02374 579 560.28256 556.71787 0.001727116
6.02681 558 560.34947 556.78067 0.001792115
6.02987 546 560.41675 556.84383 0.001831502
6.03294 558 560.48441 556.90736 0.001792115
6.03600 550 560.55244 556.97126 0.001818182
6.03907 552 560.62084 557.03553 0.001811594
6.04213 598 560.68961 557.10015 0.001672241
6.04520 595 560.75875 557.16514 0.001680672
6.04826 566 560.82828 557.2305 0.001766784
6.05133 578 560.89816 557.29621 0.001730104
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11.01985 1802 1754.40187 661.06218 0.000554939
11.02291 1828 1786.43892 661.05192 0.000547046
11.02598 1935 1820.21912 661.04158 0.000516796
11.02904 1883 1855.63292 661.03123 0.000531067
11.03211 1910 1893.00711 661.02081 0.00052356
11.03517 1961 1932.19924 661.01038 0.000509944
11.03824 2113 1973.5951 660.99987 0.000473261
11.04130 2144 2017.03495 660.98936 0.000466418
11.04437 2137 2062.91558 660.97877 0.000467946
11.04743 2242 2111.06298 660.96817 0.00044603
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11.30490 21399 20823.07748 659.94514 0.000046731
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14.11253 2059 1934.91115 653.00691 0.000485673
14.11560 2014 1987.74757 653.01808 0.000496524
14.11866 2021 2042.69825 653.02927 0.000494805
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14.15851 3005 2928.53192 653.18003 0.000332779
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14.28418 2007 2099.74765 653.71717 0.000498256
14.28724 1943 2022.93238 653.73142 0.000514668
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14.29337 1813 1878.29335 653.76013 0.000551572
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14.35161 1051 1093.89648 654.04401 0.000951475
14.35468 1004 1074.52099 654.05953 0.000996016
14.35774 998 1056.55847 654.07506 0.001002004
14.36081 1018 1039.7856 654.09069 0.000982318
14.36387 1000 1024.21657 654.10633 0.001
14.36694 970 1009.66163 654.12208 0.001030928
14.37000 896 996.13192 654.13782 0.001116071
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14.38533 883 940.4531 654.21756 0.001132503
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14.52632 736 766.29473 655.01594 0.001358696
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16.38377 896 829.61004 675.16531 0.001116071
16.38684 922 832.85077 675.21022 0.001084599
16.38990 948 836.22194 675.255 0.001054852
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16.39603 937 843.43171 675.3448 0.001067236
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16.40216 962 851.3183 675.4347 0.001039501
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16.41136 986 864.61277 675.5698 0.001014199
16.41442 997 869.46989 675.61479 0.001003009
16.41749 1024 874.58487 675.65995 0.000976562
16.42055 1003 879.939 675.70499 0.000997009
16.42362 995 885.58116 675.7502 0.001005025
16.42668 981 891.49135 675.79528 0.001019368
16.42975 965 897.72404 675.84054 0.001036269
16.43281 1069 904.2548 675.88568 0.000935454
16.43588 1067 911.14767 675.93099 0.000937207
16.43894 1068 918.37509 675.97617 0.00093633
16.44201 1040 926.00404 676.02153 0.000961538
16.44507 1053 934.00583 676.06676 0.000949668
16.44814 1018 942.45266 676.11216 0.000982318
16.45120 1058 951.31258 676.15744 0.00094518
16.45427 1086 960.66479 676.2029 0.00092081
16.45733 1132 970.4688 676.24822 0.000883392
16.46040 1161 980.81874 676.29372 0.000861326
16.46346 1165 991.66917 676.3391 0.000858369
16.46653 1072 1003.11409 676.38465 0.000932836
16.46959 1181 1015.10561 676.43007 0.00084674
16.47266 1196 1027.74569 676.47567 0.00083612
16.47572 1172 1040.97385 676.52114 0.000853242
16.47879 1159 1054.91051 676.56678 0.000862813
16.48185 1218 1069.48696 676.6123 0.000821018
16.48492 1235 1084.82113 676.65798 0.000809717
16.48798 1166 1100.83959 676.70355 0.000857633
16.49105 1184 1117.66793 676.74928 0.000844595
16.49411 1245 1135.21549 676.79489 0.000803213
16.49718 1284 1153.62604 676.84067 0.000778816
16.50024 1269 1172.79385 676.88633 0.000788022
16.50331 1295 1192.86109 676.93215 0.000772201
16.50637 1318 1213.71196 676.97785 0.000758725
16.50944 1280 1235.49007 677.02373 0.00078125
16.51250 1386 1258.06359 677.06947 0.000721501
16.51557 1321 1281.57174 677.11539 0.000757002
16.51863 1383 1305.87528 677.16118 0.000723066
16.52170 1422 1331.11927 677.20714 0.000703235
16.52476 1406 1357.1286 677.25297 0.000711238
16.52783 1492 1384.05114 677.29898 0.000670241
16.53089 1471 1411.69165 677.34486 0.00067981
16.53396 1521 1440.19694 677.39091 0.000657462
16.53702 1565 1469.33892 677.43683 0.000638978
16.54009 1544 1499.28651 677.48293 0.000647668
16.54315 1584 1529.79321 677.5289 0.000631313
16.54622 1483 1561.00564 677.57503 0.000674309
16.54929 1633 1592.77637 677.62119 0.00061237
16.55235 1688 1624.94941 677.66723 0.000592417
16.55542 1638 1657.6776 677.71343 0.000610501
16.55848 1668 1690.68774 677.7595 0.00059952
16.56155 1633 1724.1661 677.80575 0.00061237
16.56461 1762 1757.83848 677.85187 0.000567537
16.56768 1729 1791.87364 677.89816 0.000578369
16.57074 1864 1826.01082 677.94432 0.000536481
16.57381 1807 1860.42455 677.99065 0.000553403
16.57687 1798 1894.8441 678.03685 0.000556174
16.57994 1795 1929.46289 678.08322 0.000557103
16.58300 1882 1963.99835 678.12947 0.00053135
16.58607 1923 1998.62592 678.17588 0.000520021
16.58913 1968 2033.05837 678.22217 0.00050813
16.59220 2035 2067.44328 678.26862 0.0004914
16.59526 1967 2101.46813 678.31495 0.000508388
16.59833 1998 2135.26868 678.36145 0.000500501
16.60139 2002 2168.50199 678.40781 0.0004995
16.60446 2081 2201.25828 678.45435 0.000480538
16.60752 2155 2233.17645 678.50076 0.000464037
16.61059 2090 2264.29531 678.54734 0.000478469
16.61365 2116 2294.23595 678.59379 0.00047259
16.61672 2059 2322.99454 678.64041 0.000485673
16.61978 2079 2350.17086 678.6869 0.000481
16.62285 2145 2375.74449 678.73355 0.0004662
16.62591 2221 2399.32253 678.78008 0.000450248
16.62898 2259 2420.83593 678.82678 0.000442674
16.63204 2103 2439.93397 678.87335 0.000475511
16.63511 2275 2456.53909 678.92009 0.00043956
16.63817 2238 2470.36078 678.96669 0.000446828
16.64124 2232 2481.32303 679.01347 0.000448029
16.64430 2278 2489.22997 679.06011 0.000438982
16.64737 2286 2494.02475 679.10693 0.000437445
16.65043 2263 2495.60751 679.15361 0.000441891
16.65350 2297 2493.95249 679.20047 0.00043535
16.65656 2317 2489.0748 679.24719 0.000431593
16.65963 2210 2480.96218 679.29408 0.000452489
16.66269 2313 2469.72721 679.34084 0.000432339
16.66576 2219 2455.38886 679.38777 0.000450653
16.66882 2265 2438.14205 679.43457 0.000441501
16.67189 2217 2418.00203 679.48154 0.00045106
16.67495 2212 2395.2382 679.52837 0.00045208
16.67802 2364 2369.87038 679.57538 0.000423012
16.68108 2217 2342.20278 679.62225 0.00045106
16.68415 2182 2312.24471 679.66929 0.000458295
16.68722 2180 2280.26321 679.71635 0.000458716
16.69028 2156 2246.55954 679.76328 0.000463822
16.69335 2143 2211.11471 679.81038 0.000466636
16.69641 2127 2174.35416 679.85734 0.000470146
16.69948 2116 2136.24875 679.90447 0.00047259
16.70254 2089 2097.2616 679.95147 0.000478698
16.70561 2005 2057.31865 679.99864 0.000498753
16.70867 2057 2016.89274 680.04567 0.000486145
16.71174 1930 1975.92423 680.09288 0.000518135
16.71480 1976 1934.86418 680.13995 0.000506073
16.71787 1937 1893.63323 680.18719 0.000516262
16.72093 1932 1852.67426 680.23429 0.000517598
16.72400 1853 1811.86903 680.28157 0.000539665
16.72706 1812 1771.62087 680.32871 0.000551876
16.73013 1780 1731.80936 680.37602 0.000561798
16.73319 1729 1692.80367 680.42319 0.000578369
16.73626 1649 1654.4571 680.47054 0.000606428
16.73932 1691 1617.10962 680.51774 0.000591366
16.74239 1605 1580.57967 680.56512 0.000623053
16.74545 1562 1545.17606 680.61236 0.000640205
16.74852 1542 1510.71056 680.65978 0.000648508
16.75158 1522 1477.44715 680.70705 0.00065703
16.75465 1589 1445.20259 680.7545 0.000629327
16.75771 1514 1414.20155 680.80181 0.000660502
16.76078 1504 1384.26433 680.84928 0.000664894
16.76384 1459 1355.57812 680.89663 0.000685401
16.76691 1364 1327.95359 680.94414 0.000733138
16.76997 1410 1301.56419 680.99151 0.00070922
16.77304 1325 1276.22906 681.03906 0.000754717
16.77610 1378 1252.09205 681.08646 0.000725689
16.77917 1335 1228.97872 681.13404 0.000749064
16.78223 1286 1207.02073 681.18148 0.000777605
16.78530 1271 1186.03356 681.22909 0.000786782
16.78836 1238 1166.13109 681.27656 0.000807754
16.79143 1198 1147.15549 681.3242 0.000834725
16.79449 1253 1129.19527 681.3717 0.000798085
16.79756 1191 1112.10271 681.41937 0.000839631
16.80062 1167 1095.95546 681.4669 0.000856898
16.80369 1122 1080.61239 681.51461 0.000891266
16.80675 1157 1066.13298 681.56217 0.000864304
16.80982 1174 1052.39302 681.6099 0.000851789
16.81288 1126 1039.44492 681.6575 0.000888099
16.81595 1158 1027.1712 681.70526 0.000863558
16.81901 1096 1015.61794 681.75288 0.000912409
16.82208 1063 1004.67314 681.80068 0.000940734
16.82515 1007 994.34387 681.84849 0.000993049
16.82821 1087 984.63 681.89616 0.000919963
16.83128 1063 975.43399 681.94399 0.000940734
16.83434 945 966.78626 681.99169 0.001058201
16.83741 1010 958.60232 682.03956 0.000990099
16.84047 1028 950.90613 682.08729 0.000972763
16.84354 1002 943.62315 682.13519 0.000998004
16.84660 1012 936.77236 682.18294 0.000988142
16.84967 984 930.28392 682.23087 0.00101626
16.85273 989 924.17719 682.27865 0.001011122
16.85580 969 918.39094 682.32661 0.001031992
16.85886 978 912.94081 682.37442 0.001022495
16.86193 933 907.77233 682.4224 0.001071811
16.86499 910 902.90149 682.47024 0.001098901
16.86806 945 898.27533 682.51825 0.001058201
16.87112 973 893.9089 682.56612 0.001027749
16.87419 933 889.75869 682.61416 0.001071811
16.87725 933 885.83649 682.66206 0.001071811
16.88032 957 882.10382 682.71012 0.001044932
16.88338 878 878.57249 682.75804 0.001138952
16.88645 886 875.20721 682.80614 0.001128668
16.88951 887 872.01779 682.85409 0.001127396
16.89258 869 868.97437 682.90221 0.001150748
16.89564 923 866.08687 682.95018 0.001083424
16.89871 896 863.32795 682.99833 0.001116071
16.90177 913 860.70783 683.04633 0.00109529
16.90484 914 858.20091 683.0945 0.001094092
16.90790 869 855.81732 683.14253 0.001150748
16.91097 824 853.53433 683.19073 0.001213592
16.91403 906 851.36108 683.23878 0.001103753
16.91710 921 849.27812 683.287 0.001085776
16.92016 867 847.2935 683.33508 0.001153403
16.92323 833 845.39013 683.38333 0.00120048
16.92629 869 843.57649 683.43143 0.001150748
16.92936 765 841.83517 683.4797 0.00130719
16.93242 807 840.17444 683.52783 0.001239157
16.93549 844 838.58024 683.57613 0.001184834
16.93855 881 837.05935 683.62428 0.001135074
16.94162 824 835.59942 683.6726 0.001213592
16.94468 845 834.20719 683.72078 0.001183432
16.94775 804 832.87074 683.76912 0.001243781
16.95081 831 831.59594 683.81732 0.001203369
16.95388 831 830.37277 683.86569 0.001203369
16.95694 823 829.20684 683.91391 0.001215067
16.96001 850 828.08894 683.9623 0.001176471
16.96307 815 827.02471 684.01055 0.001226994
16.96614 860 826.00492 684.05897 0.001162791
16.96921 852 825.03205 684.10739 0.001173709
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17.54851 1829 1489.82413 693.36133 0.000546747
17.55157 1785 1515.85422 693.41036 0.000560224
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17.56690 1997 1667.69152 693.65595 0.000500751
17.56996 2051 1702.79137 693.70496 0.000487567
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17.58835 2278 1954.44983 693.99943 0.000438982
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17.63126 3122 2897.51939 694.6859 0.000320307
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17.65272 3523 3594.1504 695.02885 0.000283849
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17.79678 7239 6886.40254 697.32248 0.000138141
17.79985 7204 6784.9283 697.37116 0.000138812
17.80291 6930 6676.44605 697.41968 0.0001443
17.80598 6970 6560.85972 697.46834 0.000143472
17.80904 6698 6439.51737 697.51684 0.000149298
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17.81517 6298 6180.60192 697.61396 0.000158781
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17.82437 6083 5762.23226 697.75966 0.000164393
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17.84889 4674 4592.10397 698.14752 0.00021395
17.85195 4651 4450.29462 698.19587 0.000215008
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17.86421 4096 3909.06761 698.38951 0.000244141
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17.87034 3767 3658.07033 698.48627 0.000265463
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17.88260 3193 3201.4344 698.67964 0.000313185
17.88567 3140 3096.92265 698.72804 0.000318471
17.88873 2906 2996.6977 698.77626 0.000344116
17.89180 2876 2900.09903 698.82464 0.000347705
17.89486 2714 2807.70608 698.87284 0.00036846
17.89793 2648 2718.87484 698.92119 0.000377644
17.90099 2603 2634.14052 698.96937 0.000384172
17.90406 2580 2552.82054 699.01769 0.000387597
17.90712 2422 2475.38181 699.06585 0.000412882
17.91019 2325 2401.23765 699.11415 0.000430108
17.91326 2302 2330.5417 699.16244 0.000434405
17.91632 2202 2263.39913 699.21056 0.000454133
17.91939 2151 2199.27191 699.25883 0.0004649
17.92245 2064 2138.48034 699.30692 0.000484496
17.92552 2013 2080.47532 699.35517 0.000496771
17.92858 1999 2025.53499 699.40324 0.00050025
17.93165 1955 1973.19297 699.45145 0.000511509
17.93471 1941 1923.66684 699.4995 0.000515198
17.93778 1796 1876.52408 699.54769 0.000556793
17.94084 1804 1831.96747 699.59572 0.000554324
17.94391 1702 1789.56641 699.64388 0.000587544
17.94697 1681 1749.49638 699.69188 0.000594884
17.95004 1703 1711.39351 699.74002 0.000587199
17.95310 1633 1675.39465 699.78799 0.00061237
17.95617 1570 1641.16727 699.83611 0.000636943
17.95923 1599 1608.84082 699.88405 0.000625391
17.96230 1580 1578.08819 699.93214 0.000632911
17.96536 1540 1549.02517 699.98006 0.000649351
17.96843 1534 1521.37607 700.02812 0.00065189
17.97149 1449 1495.23164 700.07601 0.000690131
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17.97762 1384 1446.79044 700.17191 0.000722543
17.98069 1308 1424.35293 700.21992 0.000764526
17.98375 1374 1403.09846 700.26776 0.000727802
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17.98988 1300 1363.58734 700.36355 0.000769231
17.99295 1252 1345.21785 700.41151 0.000798722
17.99601 1260 1327.77217 700.45929 0.000793651
17.99908 1251 1311.08522 700.50722 0.000799361
18.00214 1257 1295.21954 700.55497 0.000795545
18.00521 1190 1280.01444 700.60287 0.000840336
18.00827 1132 1265.52899 700.6506 0.000883392
18.01134 1182 1251.62977 700.69847 0.000846024
18.01440 1086 1238.36676 700.74617 0.00092081
18.01747 1148 1225.61924 700.79401 0.00087108
18.02053 1178 1213.43951 700.84168 0.000848896
18.02360 1152 1201.70937 700.88949 0.000868056
18.02666 1076 1190.47925 700.93713 0.000929368
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18.03279 1038 1169.26621 701.03252 0.000963391
18.03586 1069 1159.23779 701.08028 0.000935454
18.03892 986 1149.6067 701.12786 0.001014199
18.04199 1025 1140.29507 701.17558 0.00097561
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22.35765 925 882.10067 730.30549 0.001081081
22.36071 867 885.40396 730.29117 0.001153403
22.36378 901 888.86956 730.27675 0.001109878
22.36684 901 892.47877 730.26233 0.001109878
22.36991 919 896.26611 730.24781 0.001088139
22.37297 985 900.21936 730.23329 0.001015228
22.37604 883 904.37294 730.21868 0.001132503
22.37910 920 908.71279 730.20406 0.001086957
22.38217 912 913.28139 730.18935 0.001096491
22.38523 916 918.05976 730.17463 0.001091703
22.38830 941 923.09431 730.15982 0.001062699
22.39136 931 928.36444 730.14501 0.001074114
22.39443 945 933.92274 730.1301 0.001058201
22.39749 933 939.74452 730.11519 0.001071811
22.40056 902 945.88488 730.10019 0.001108647
22.40362 919 952.32477 730.08518 0.001088139
22.40669 939 959.118 730.07008 0.001064963
22.40975 940 966.24268 730.05497 0.00106383
22.41282 986 973.75779 730.03977 0.001014199
22.41588 931 981.64024 730.02457 0.001074114
22.41895 975 989.95189 730.00927 0.001025641
22.42201 977 998.66174 729.99398 0.001023541
22.42508 978 1007.84943 729.97858 0.001022495
22.42814 1026 1017.46902 729.96319 0.000974659
22.43121 969 1027.6069 729.94769 0.001031992
22.43427 988 1038.21046 729.9322 0.001012146
22.43734 998 1049.37575 729.91661 0.001002004
22.44040 1016 1061.03844 729.90102 0.000984252
22.44347 1038 1073.29797 729.88533 0.000963391
22.44653 1044 1086.09557 729.86965 0.000957854
22.44960 1034 1099.52087 729.85387 0.000967118
22.45266 1055 1113.5108 729.83808 0.000947867
22.45573 1054 1128.15715 729.8222 0.000948767
22.45879 1036 1143.38241 729.80633 0.000965251
22.46186 1039 1159.30182 729.79035 0.000962464
22.46493 1089 1175.85466 729.77432 0.000918274
22.46799 1106 1193.00351 729.7583 0.000904159
22.47106 1085 1210.84354 729.74218 0.000921659
22.47412 1181 1229.26441 729.72606 0.00084674
22.47719 1139 1248.35873 729.70984 0.000877963
22.48025 1098 1267.99341 729.69363 0.000910747
22.48332 1178 1288.2798 729.67731 0.000848896
22.48638 1160 1309.03331 729.661 0.000862069
22.48945 1186 1330.36303 729.64459 0.00084317
22.49251 1193 1352.0684 729.62818 0.000838223
22.49558 1246 1374.23472 729.61167 0.000802568
22.49864 1254 1396.63487 729.59517 0.000797448
22.50171 1212 1419.33403 729.57857 0.000825083
22.50477 1270 1442.09841 729.56197 0.000787402
22.50784 1311 1464.95463 729.54527 0.000762777
22.51090 1333 1487.64473 729.52858 0.000750188
22.51397 1328 1510.18186 729.51178 0.000753012
22.51703 1294 1532.29147 729.49499 0.000772798
22.52010 1396 1553.97169 729.4781 0.000716332
22.52316 1422 1574.95147 729.46122 0.000703235
22.52623 1433 1595.23152 729.44423 0.000697837
22.52929 1376 1614.55747 729.42725 0.000726744
22.53236 1523 1632.92862 729.41017 0.000656599
22.53542 1514 1650.13577 729.3931 0.000660502
22.53849 1521 1666.20991 729.37592 0.000657462
22.54155 1541 1680.98811 729.35875 0.000648929
22.54462 1606 1694.53203 729.34148 0.000622665
22.54768 1561 1706.7374 729.32422 0.000640615
22.55075 1685 1717.71526 729.30685 0.000593472
22.55381 1705 1727.39787 729.28949 0.00058651
22.55688 1678 1735.92335 729.27203 0.000595948
22.55994 1703 1743.28731 729.25457 0.000587199
22.56301 1701 1749.60212 729.23702 0.000587889
22.56607 1757 1754.91314 729.21947 0.000569152
22.56914 1736 1759.31012 729.20182 0.000576037
22.57220 1843 1762.872 729.18417 0.000542594
22.57527 1819 1765.64543 729.16643 0.000549753
22.57833 1801 1767.71346 729.14869 0.000555247
22.58140 1791 1769.10982 729.13085 0.000558347
22.58446 1755 1769.89532 729.11302 0.000569801
22.58753 1876 1770.12163 729.09508 0.000533049
22.59059 1783 1769.79336 729.07716 0.000560852
22.59366 1797 1768.98983 729.05913 0.000556483
22.59672 1888 1767.71208 729.04111 0.000529661
22.59979 1811 1766.03482 729.02298 0.000552181
22.60285 1815 1763.98221 729.00487 0.000550964
22.60592 1782 1761.59058 728.98665 0.000561167
22.60899 1818 1758.94649 728.96839 0.000550055
22.61205 1819 1756.08058 728.95014 0.000549753
22.61512 1816 1753.06811 728.93178 0.000550661
22.61818 1765 1749.95564 728.91343 0.000566572
22.62125 1794 1746.81884 728.89498 0.000557414
22.62431 1819 1743.7008 728.87654 0.000549753
22.62738 1789 1740.64632 728.85799 0.000558971
22.63044 1807 1737.74007 728.83946 0.000553403
22.63351 1782 1734.97849 728.82081 0.000561167
22.63657 1851 1732.44355 728.80219 0.000540249
22.63964 1822 1730.10394 728.78345 0.000548847
22.64270 1848 1728.03654 728.76473 0.000541126
22.64577 1816 1726.19783 728.74591 0.000550661
22.64883 1760 1724.61483 728.72709 0.000568182
22.65190 1726 1723.28012 728.70817 0.000579374
22.65496 1906 1722.16636 728.68927 0.000524659
22.65803 1813 1721.26894 728.67025 0.000551572
22.66109 1749 1720.53072 728.65126 0.000571755
22.66416 1722 1719.95211 728.63215 0.00058072
22.66722 1818 1719.46583 728.61306 0.000550055
22.67029 1784 1719.04286 728.59386 0.000560538
22.67335 1811 1718.64846 728.57468 0.000552181
22.67642 1706 1718.21987 728.55538 0.000586166
22.67948 1800 1717.73143 728.53611 0.000555556
22.68255 1870 1717.10743 728.51672 0.000534759
22.68561 1829 1716.33486 728.49736 0.000546747
22.68868 1937 1715.33912 728.47788 0.000516262
22.69174 1845 1714.09572 728.45842 0.000542005
22.69481 1830 1712.55873 728.43885 0.000546448
22.69787 1886 1710.69262 728.4193 0.000530223
22.70094 1848 1708.46062 728.39963 0.000541126
22.70400 1813 1705.83319 728.37999 0.000551572
22.70707 1902 1702.77667 728.36023 0.000525762
22.71013 1821 1699.28025 728.3405 0.000549149
22.71320 1859 1695.30663 728.32065 0.000537924
22.71626 1890 1690.86407 728.30083 0.000529101
22.71933 1860 1685.91282 728.28089 0.000537634
22.72239 1810 1680.47663 728.26097 0.000552486
22.72546 1865 1674.51378 728.24094 0.000536193
22.72852 1943 1668.06389 728.22093 0.000514668
22.73159 1862 1661.08305 728.20081 0.000537057
22.73465 1947 1653.62725 728.1807 0.000513611
22.73772 1888 1645.64913 728.16049 0.000529661
22.74078 1851 1637.21801 728.1403 0.000540249
22.74385 1858 1628.28472 728.11999 0.000538213
22.74692 1829 1618.89741 728.09964 0.000546747
22.74998 1886 1609.10258 728.07931 0.000530223
22.75305 1775 1598.84905 728.05887 0.00056338
22.75611 1837 1588.23581 728.03845 0.000544366
22.75918 1889 1577.20331 728.01792 0.000529381
22.76224 1860 1565.86226 727.99741 0.000537634
22.76531 1830 1554.14601 727.97678 0.000546448
22.76837 1757 1542.17109 727.95618 0.000569152
22.77144 1844 1529.88186 727.93547 0.000542299
22.77450 1757 1517.37422 727.91478 0.000569152
22.77757 1825 1504.61507 727.89397 0.000547945
22.78063 1830 1491.69608 727.87319 0.000546448
22.78370 1750 1478.59335 727.85229 0.000571429
22.78676 1896 1465.37691 727.83142 0.000527426
22.78983 1783 1452.02091 727.81043 0.000560852
22.79289 1738 1438.63028 727.78947 0.000575374
22.79596 1730 1425.13658 727.76839 0.000578035
22.79902 1724 1411.34376 727.74734 0.000580046
22.80209 1679 1397.83035 727.72617 0.000595593
22.80515 1644 1384.39719 727.70503 0.000608273
22.80822 1646 1370.96386 727.68377 0.000607533
22.81128 1645 1357.65754 727.66254 0.000607903
22.81435 1706 1344.40576 727.64119 0.000586166
22.81741 1597 1331.30246 727.61987 0.000626174
22.82048 1529 1318.30379 727.59843 0.000654022
22.82354 1593 1305.48997 727.57702 0.000627746
22.82661 1514 1292.65008 727.55549 0.000660502
22.82967 1518 1280.2002 727.53399 0.000658762
22.83274 1503 1267.89931 727.51238 0.000665336
22.83580 1485 1255.85803 727.49079 0.000673401
22.83887 1503 1243.99133 727.46908 0.000665336
22.84193 1535 1232.40471 727.4474 0.000651466
22.84500 1432 1221.01244 727.42561 0.000698324
22.84806 1400 1209.9134 727.40384 0.000714286
22.85113 1396 1199.03169 727.38195 0.000716332
22.85419 1321 1188.4437 727.3601 0.000757002
22.85726 1362 1178.09397 727.33812 0.000734214
22.86032 1352 1168.0453 727.31618 0.000739645
22.86339 1309 1158.24004 727.29411 0.000763942
22.86645 1377 1148.73397 727.27208 0.000726216
22.86952 1285 1139.48328 727.24993 0.00077821
22.87258 1317 1130.54105 727.22781 0.000759301
22.87565 1278 1121.84284 727.20557 0.000782473
22.87871 1284 1113.45926 727.18335 0.000778816
22.88178 1251 1105.32172 727.16103 0.000799361
22.88485 1194 1097.47034 727.13865 0.000837521
22.88791 1183 1089.91434 727.11631 0.000845309
22.89098 1158 1082.61632 727.09385 0.000863558
22.89404 1188 1075.61521 727.07142 0.000841751
22.89710 1177 1068.87831 727.04894 0.000849618
22.90017 1132 1062.39559 727.02635 0.000883392
22.90323 1118 1056.19338 727.00378 0.000894454
22.90630 1095 1050.24062 726.9811 0.000913242
22.90936 1143 1044.56112 726.95845 0.000874891
22.91243 1108 1039.1255 726.93568 0.000902527
22.91549 1055 1033.96077 726.91294 0.000947867
22.91856 1099 1029.03045 726.89009 0.000909918
22.92162 1157 1024.36131 726.86726 0.000864304
22.92469 1106 1019.91562 726.84431 0.000904159
22.92775 1089 1015.72686 726.8214 0.000918274
22.93082 1107 1011.75767 726.79837 0.000903342
22.93388 1070 1008.03557 726.77537 0.000934579
22.93695 1086 1004.53125 726.75225 0.00092081
22.94002 1078 1001.24819 726.72908 0.000927644
22.94308 1042 998.201 726.70595 0.000959693
22.94615 1045 995.35854 726.6827 0.000956938
22.94921 1040 992.74257 726.65948 0.000961538
22.95228 1040 990.32854 726.63615 0.000961538
22.95534 1053 988.13233 726.61284 0.000949668
22.95841 1053 986.13656 726.58942 0.000949668
22.96147 987 984.34645 726.56603 0.001013171
22.96454 1063 982.75558 726.54251 0.000940734
22.96760 1062 981.36471 726.51904 0.00094162
22.97067 1022 980.16851 726.49544 0.000978474
22.97373 1058 979.17228 726.47187 0.00094518
22.97680 1026 978.36247 726.44819 0.000974659
22.97986 1004 977.75091 726.42454 0.000996016
22.98293 1027 977.32563 726.40077 0.00097371
22.98599 1046 977.0953 726.37703 0.000956023
22.98906 1043 977.05172 726.35318 0.000958773
22.99212 972 977.19985 726.32935 0.001028807
22.99519 1005 977.54161 726.30541 0.000995025
22.99825 988 978.0697 726.2815 0.001012146
23.00132 1008 978.79647 726.25747 0.000992063
23.00438 994 979.71234 726.23348 0.001006036
23.00745 1079 980.83154 726.20936 0.000926784
23.01051 1034 982.14368 726.18529 0.000967118
23.01358 992 983.66452 726.16108 0.001008065
23.01664 1043 985.38934 726.13692 0.000958773
23.01971 1069 987.33002 726.11263 0.000935454
23.02277 1043 989.4863 726.08838 0.000958773
23.02584 1065 991.86694 726.06401 0.000938967
23.02890 1074 994.47302 726.03968 0.000931099
23.03197 1115 997.32255 726.01522 0.000896861
23.03503 1063 1000.40962 725.9908 0.000940734
23.03810 1083 1003.76647 725.96626 0.000923361
23.04116 1103 1007.37593 725.94176 0.000906618
23.04423 1078 1011.28038 725.91713 0.000927644
23.04729 1064 1015.46074 725.89254 0.00093985
23.05036 1099 1019.96574 725.86783 0.000909918
23.05342 1112 1024.77596 725.84315 0.000899281
23.05649 1129 1029.94043 725.81836 0.00088574
23.05955 1093 1035.45266 725.7936 0.000914913
23.06262 1132 1041.36153 725.76872 0.000883392
23.06568 1074 1047.65552 725.74387 0.000931099
23.06875 1171 1054.39232 725.71891 0.000853971
23.07181 1128 1061.55984 725.69398 0.000886525
23.07488 1189 1069.23866 725.66893 0.000841043
23.07795 1129 1077.4232 725.64384 0.00088574
23.08101 1133 1086.13197 725.61879 0.000882613
23.08408 1213 1095.4421 725.59361 0.000824402
23.08714 1194 1105.34393 725.56848 0.000837521
23.09021 1281 1115.92642 725.54322 0.00078064
23.09327 1254 1127.18742 725.518 0.000797448
23.09634 1231 1139.21623 725.49265 0.000812348
23.09940 1238 1151.98195 725.46735 0.000807754
23.10247 1268 1165.6335 725.44192 0.000788644
23.10553 1255 1180.11575 725.41653 0.000796813
23.10860 1231 1195.59251 725.39102 0.000812348
23.11166 1320 1211.99996 725.36555 0.000757576
23.11473 1297 1229.50769 725.33996 0.00077101
23.11779 1303 1248.07572 725.31441 0.00076746
23.12086 1327 1267.85855 725.28873 0.00075358
23.12392 1335 1288.81539 725.26309 0.000749064
23.12699 1418 1311.11538 725.23733 0.000705219
23.13005 1395 1334.70634 725.21161 0.000716846
23.13312 1463 1359.77211 725.18577 0.000683527
23.13618 1460 1386.22688 725.15997 0.000684932
23.13925 1493 1414.32618 725.13404 0.000669792
23.14231 1511 1443.90504 725.10816 0.000661813
23.14538 1497 1475.25666 725.08215 0.000668003
23.14844 1583 1508.19204 725.05618 0.000631712
23.15151 1566 1543.01201 725.03009 0.00063857
23.15457 1632 1579.49799 725.00404 0.000612745
23.15764 1625 1617.93672 724.97787 0.000615385
23.16070 1726 1658.13973 724.95174 0.000579374
23.16377 1730 1700.33253 724.92548 0.000578035
23.16683 1780 1744.29647 724.89927 0.000561798
23.16990 1818 1790.25603 724.87293 0.000550055
23.17296 1800 1837.88732 724.84663 0.000555556
23.17603 1911 1887.48524 724.82021 0.000523286
23.17909 1969 1938.57313 724.79384 0.000507872
23.18216 1936 1991.43071 724.76734 0.000516529
23.18522 1987 2045.50218 724.74088 0.000503271
23.18829 1946 2100.99058 724.71429 0.000513875
23.19135 2148 2157.24147 724.68776 0.000465549
23.19442 2086 2214.36191 724.66109 0.000479386
23.19748 2164 2271.64745 724.63447 0.000462107
23.20055 2183 2328.99959 724.60772 0.000458085
23.20361 2145 2385.68325 724.58102 0.0004662
23.20668 2274 2441.50509 724.55419 0.000439754
23.20974 2325 2495.6247 724.52741 0.000430108
23.21281 2313 2547.79026 724.5005 0.000432339
23.21587 2285 2597.12136 724.47364 0.000437637
23.21894 2340 2643.42104 724.44665 0.00042735
23.22201 2347 2685.94677 724.41962 0.000426076
23.22507 2413 2724.17681 724.39263 0.000414422
23.22814 2462 2757.96313 724.36552 0.000406174
23.23120 2440 2786.81001 724.33846 0.000409836
23.23427 2544 2810.75175 724.31127 0.000393082
23.23733 2535 2829.56929 724.28412 0.000394477
23.24040 2567 2843.46028 724.25685 0.00038956
23.24346 2577 2852.4857 724.22963 0.000388048
23.24653 2626 2856.94143 724.20227 0.000380807
23.24959 2600 2857.1417 724.17497 0.000384615
23.25266 2653 2853.34889 724.14754 0.000376932
23.25572 2613 2845.99009 724.12015 0.000382702
23.25879 2671 2835.27702 724.09264 0.000374392
23.26185 2697 2821.51742 724.06518 0.000370782
23.26492 2675 2804.90806 724.03758 0.000373832
23.26798 2644 2785.60304 724.01004 0.000378215
23.27105 2752 2763.64096 723.98237 0.000363372
23.27411 2742 2739.09269 723.95474 0.000364697
23.27718 2623 2711.86569 723.92699 0.000381243
23.28024 2735 2682.04195 723.89929 0.000365631
23.28331 2690 2649.37379 723.87146 0.000371747
23.28637 2589 2614.14141 723.84368 0.00038625
23.28944 2596 2576.06649 723.81577 0.000385208
23.29250 2574 2535.57478 723.78791 0.0003885
23.29557 2576 2492.51649 723.75992 0.000388199
23.29863 2419 2447.46321 723.73198 0.000413394
23.30170 2508 2400.40136 723.70391 0.000398724
23.30476 2429 2351.9324 723.67589 0.000411692
23.30783 2255 2302.16412 723.64774 0.000443459
23.31089 2382 2251.74619 723.61965 0.000419815
23.31396 2242 2200.75331 723.59142 0.00044603
23.31702 2304 2149.84457 723.56325 0.000434028
23.32009 2267 2098.95648 723.53494 0.000441112
23.32315 2135 2048.74934 723.50669 0.000468384
23.32622 2147 1999.06304 723.47831 0.000465766
23.32928 2100 1950.41581 723.44998 0.00047619
23.33235 2043 1902.62197 723.42152 0.000489476
23.33541 1988 1856.0882 723.39311 0.000503018
23.33848 1960 1810.59687 723.36457 0.000510204
23.34154 1856 1766.4568 723.33608 0.000538793
23.34461 1836 1723.43107 723.30746 0.000544662
23.34767 1805 1681.82291 723.2789 0.000554017
23.35074 1799 1641.39261 723.25021 0.000555864
23.35380 1793 1602.42451 723.22157 0.000557724
23.35687 1646 1564.69723 723.19279 0.000607533
23.35994 1661 1528.37551 723.16398 0.000602047
23.36300 1644 1493.5613 723.13522 0.000608273
23.36607 1483 1460.09538 723.10633 0.000674309
23.36913 1547 1428.16533 723.0775 0.000646412
23.37220 1488 1397.58152 723.04853 0.000672043
23.37526 1529 1368.5308 723.01962 0.000654022
23.37833 1479 1340.80799 722.99058 0.000676133
23.38139 1464 1314.56928 722.96159 0.00068306
23.38446 1303 1289.58965 722.93247 0.00076746
23.38752 1342 1266.01552 722.90341 0.000745156
23.39059 1295 1243.62326 722.87421 0.000772201
23.39365 1306 1222.51263 722.84507 0.000765697
23.39672 1293 1202.49594 722.8158 0.000773395
23.39978 1164 1183.64406 722.78658 0.000859107
23.40285 1260 1165.78713 722.75723 0.000793651
23.40591 1198 1148.97509 722.72794 0.000834725
23.40898 1133 1133.04649 722.69851 0.000882613
23.41204 1194 1118.05273 722.66914 0.000837521
23.41511 1116 1103.8456 722.63964 0.000896057
23.41817 1110 1090.47044 722.61019 0.000900901
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39.90227 751 815.42301 590.48335 0.001331558
39.90533 809 814.2134 590.18553 0.001236094
39.90840 756 812.73082 589.88572 0.001322751
39.91146 761 810.97955 589.58587 0.00131406
39.91453 727 808.95743 589.28403 0.001375516
39.91759 810 806.68813 588.98215 0.001234568
39.92066 832 804.17802 588.67826 0.001201923
39.92372 752 801.46862 588.37434 0.001329787
39.92679 748 798.56942 588.06841 0.001336898
39.92985 781 795.5375 587.76244 0.00128041
39.93292 785 792.38109 587.45444 0.001273885
39.93598 784 789.16188 587.14641 0.00127551
39.93905 820 785.88736 586.83635 0.001219512
39.94212 782 782.60519 586.52524 0.001278772
39.94518 799 779.35312 586.21411 0.001251564
39.94825 767 776.13395 585.90091 0.001303781
39.95131 843 772.99848 585.5877 0.00118624
39.95438 779 769.93685 585.27242 0.001283697
39.95744 791 766.99115 584.95712 0.001264223
39.96051 814 764.14444 584.63973 0.001228501
39.96357 802 761.4285 584.32233 0.001246883
39.96664 719 758.82119 584.00284 0.001390821
39.96970 799 756.33407 583.68333 0.001251564
39.97277 796 753.95033 583.36171 0.001256281
39.97583 777 751.66479 583.04009 0.001287001
39.97890 815 749.45436 582.71634 0.001226994
39.98196 747 747.30765 582.39259 0.001338688
39.98503 746 745.19138 582.06671 0.001340483
39.98809 734 743.0936 581.74082 0.001362398
39.99116 789 740.97232 581.41279 0.001267427
39.99422 744 738.82008 581.08476 0.001344086
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