# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_CAM2x63
_database_code_depnum_ccdc_archive 'CCDC 1980770'
loop_
_audit_author_name
_audit_author_address
'Vincent Dorcet'
;The University of Rennes
France
;
_audit_update_record             
;
2020-01-29 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;

#------------------------------------------------------------------------------#
# Date of experiment: 16 janvier 2020                                          #
#------------------------------------------------------------------------------#


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#


_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C59 H35 Eu F18 O14 P2'
_chemical_formula_sum            'C59 H35 Eu F18 O14 P2'
_chemical_formula_weight         1523.77
_chemical_compound_source        'synthesis as described'
_chemical_absolute_configuration rm/ad/rmad/syn/unk/.

#------------------------------------------------------------------------------#
#                            UNIT CELL INFORMATION                             #
#------------------------------------------------------------------------------#


_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
_space_group_IT_number           20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   11.4660(8)
_cell_length_b                   21.9976(14)
_cell_length_c                   48.630(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12265.7(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9711
_cell_measurement_theta_min      2.1711
_cell_measurement_theta_max      27.4784
_cell_measurement_wavelength     0.710730


#------------------------------------------------------------------------------#
#                              ORIENTATION MATRIX                              #
#------------------------------------------------------------------------------#

_diffrn_orient_matrix_UB_11      -0.0574500
_diffrn_orient_matrix_UB_21      -0.0572752
_diffrn_orient_matrix_UB_31      -0.0320227
_diffrn_orient_matrix_UB_12      0.0229590
_diffrn_orient_matrix_UB_22      -0.0011009
_diffrn_orient_matrix_UB_32      -0.0392204
_diffrn_orient_matrix_UB_13      0.0114681
_diffrn_orient_matrix_UB_23      -0.0154997
_diffrn_orient_matrix_UB_33      0.0071483


#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             6048
_exptl_special_details           
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.194
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_T_max  0.887

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_diffrn_reflns_av_r_equivalents  0.0379
_diffrn_reflns_av_uneti/neti     0.0596
_diffrn_reflns_number            38999
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_theta_min         2.046
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.985
_reflns_number_total             13684
_reflns_number_gt                12118
_reflns_threshold_expression     >2sigma(I)
_reflns_Friedel_coverage         0.841
_reflns_Friedel_fraction_max     0.986
_reflns_Friedel_fraction_full    0.992

_reflns_special_details          
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.

_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.
;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2017_1 (Sheldrick, 2017)'
_computing_molecular_graphics    
'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2019)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0159P)²+199.7434P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         13684
_refine_ls_number_parameters     720
_refine_ls_number_restraints     119
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0754
_refine_ls_wR_factor_ref         0.1676
_refine_ls_wR_factor_gt          0.1633
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.034
_refine_diff_density_min         -3.080
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details 
;
Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.08(2)

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Eu1 Eu 0.83112(5) 0.07002(3) 0.62612(2) 0.03201(15) Uani 1 1 d . . . . .
P1 P 0.8859(6) 0.0481(3) 0.70056(11) 0.0477(13) Uani 0.736(6) 1 d . . P A 1
P2 P 0.8721(3) 0.05922(15) 0.54934(7) 0.0371(8) Uani 1 1 d . . . . .
O1 O 0.6634(9) 0.0133(4) 0.6402(2) 0.050(2) Uani 1 1 d . . . . .
O2 O 0.8755(7) -0.0372(4) 0.62193(19) 0.039(2) Uani 1 1 d . . . . .
O3 O 1.0392(7) 0.0591(4) 0.6259(2) 0.047(2) Uani 1 1 d . . . . .
O4 O 0.9150(9) 0.1639(4) 0.6126(2) 0.047(2) Uani 1 1 d . . . . .
O5 O 0.6739(9) 0.1140(4) 0.60082(17) 0.042(2) Uani 1 1 d . . . . .
O6 O 0.7369(9) 0.1439(4) 0.65484(19) 0.045(2) Uani 1 1 d . . . . .
O11 O 0.8822(9) 0.0439(4) 0.6721(2) 0.045(2) Uani 1 1 d . . . . .
O12 O 0.7586(15) 0.0675(9) 0.7103(3) 0.075(5) Uani 0.736(6) 1 d . . P A 1
O13 O 0.9771(18) 0.0943(9) 0.7131(3) 0.083(6) Uani 0.736(6) 1 d D . P A 1
O14 O 0.9086(13) -0.0135(8) 0.7159(3) 0.055(4) Uani 0.736(6) 1 d . . P A 1
O21 O 0.8707(7) 0.0528(4) 0.57909(17) 0.035(2) Uani 1 1 d . . . . .
O22 O 0.7916(10) 0.0146(5) 0.5336(2) 0.055(3) Uani 1 1 d . . . . .
O23 O 0.8432(9) 0.1259(4) 0.54143(17) 0.045(2) Uani 1 1 d . . . . .
O24 O 0.9946(9) 0.0496(4) 0.53523(18) 0.046(3) Uani 1 1 d . . . . .
C1 C 0.540(2) -0.0579(8) 0.6612(4) 0.108(9) Uani 0.698(16) 1 d D U P B 1
C1B C 0.530(3) -0.0499(16) 0.6599(8) 0.108(9) Uani 0.302(16) 1 d D U P B 2
C2 C 0.6527(13) -0.0391(8) 0.6480(4) 0.070(5) Uani 1 1 d . . . . .
C3 C 0.7287(14) -0.0895(7) 0.6464(5) 0.075(6) Uani 1 1 d . . . . .
H3 H 0.707671 -0.127325 0.654502 0.090 Uiso 1 1 calc R U . . .
C4 C 0.8352(13) -0.0829(5) 0.6328(3) 0.045(3) Uani 1 1 d . . . . .
C5 C 0.9057(17) -0.1411(7) 0.6276(6) 0.078(6) Uani 1 1 d . . . . .
C6 C 1.2378(17) 0.0534(7) 0.6108(3) 0.071(3) Uani 0.695(16) 1 d D . P C 1
C7 C 1.1179(14) 0.0864(8) 0.6137(4) 0.071(3) Uani 1 1 d . . . . .
C8 C 1.1082(15) 0.1431(8) 0.6004(4) 0.071(3) Uani 1 1 d . . . . .
H8 H 1.172306 0.157603 0.589906 0.085 Uiso 1 1 calc R U . . .
C9 C 1.0095(16) 0.1779(8) 0.6020(4) 0.071(3) Uani 1 1 d . . . . .
C10 C 1.0189(15) 0.2420(9) 0.5908(5) 0.071(3) Uani 1 1 d . . . . .
C11 C 0.5247(15) 0.1711(8) 0.5803(4) 0.060(5) Uani 1 1 d . . . . .
C12 C 0.6031(13) 0.1568(6) 0.6053(3) 0.043(3) Uani 1 1 d . . . . .
C14 C 0.5852(14) 0.1871(6) 0.6287(4) 0.061(4) Uani 1 1 d . . . . .
H14 H 0.522320 0.215175 0.629348 0.073 Uiso 1 1 calc R U . . .
C15 C 0.6517(17) 0.1802(7) 0.6518(3) 0.055(4) Uani 1 1 d . . . . .
C16 C 0.630(2) 0.2138(11) 0.6791(6) 0.084(8) Uani 0.494(13) 1 d D U P D 1
C21 C 0.721(2) 0.0709(10) 0.7371(3) 0.114(5) Uani 0.736(6) 1 d G . P A 1
C22 C 0.706(2) 0.1279(9) 0.7489(4) 0.114(5) Uani 0.736(6) 1 d G . P A 1
H22 H 0.730470 0.163301 0.739391 0.137 Uiso 0.736(6) 1 calc R U P A 1
C23 C 0.654(2) 0.1331(7) 0.7747(4) 0.114(5) Uani 0.736(6) 1 d G . P A 1
H23 H 0.644063 0.172017 0.782805 0.137 Uiso 0.736(6) 1 calc R U P A 1
C24 C 0.618(2) 0.0813(9) 0.7887(3) 0.114(5) Uani 0.736(6) 1 d G . P A 1
H24 H 0.583059 0.084806 0.806304 0.137 Uiso 0.736(6) 1 calc R U P A 1
C25 C 0.633(2) 0.0243(8) 0.7768(4) 0.114(5) Uani 0.736(6) 1 d G . P A 1
H25 H 0.608461 -0.011121 0.786390 0.137 Uiso 0.736(6) 1 calc R U P A 1
C26 C 0.685(2) 0.0191(8) 0.7511(4) 0.114(5) Uani 0.736(6) 1 d G . P A 1
H26 H 0.694868 -0.019839 0.742976 0.137 Uiso 0.736(6) 1 calc R U P A 1
C31 C 1.0289(15) 0.1402(8) 0.6967(3) 0.140(7) Uani 0.736(6) 1 d G . P A 1
C32 C 1.1397(17) 0.1318(10) 0.6858(5) 0.140(7) Uani 0.736(6) 1 d DG . P A 1
H32 H 1.180860 0.095079 0.689229 0.168 Uiso 0.736(6) 1 calc R U P A 1
C33 C 1.190(2) 0.1771(13) 0.6698(5) 0.140(7) Uani 0.736(6) 1 d G . P A 1
H33 H 1.266124 0.171299 0.662350 0.168 Uiso 0.736(6) 1 calc R U P A 1
C34 C 1.130(3) 0.2308(11) 0.6648(5) 0.140(7) Uani 0.736(6) 1 d G . P A 1
H34 H 1.164823 0.261728 0.653885 0.168 Uiso 0.736(6) 1 calc R U P A 1
C35 C 1.019(3) 0.2392(9) 0.6757(6) 0.140(7) Uani 0.736(6) 1 d G . P A 1
H35 H 0.978258 0.275937 0.672299 0.168 Uiso 0.736(6) 1 calc R U P A 1
C36 C 0.969(2) 0.1939(9) 0.6917(5) 0.140(7) Uani 0.736(6) 1 d DG . P A 1
H36 H 0.892994 0.199718 0.699179 0.168 Uiso 0.736(6) 1 calc R U P A 1
C41 C 1.0447(9) -0.0790(6) 0.7381(2) 0.064(2) Uani 0.736(6) 1 d G . P A 1
C42 C 1.0149(10) -0.0444(6) 0.7152(3) 0.064(2) Uani 0.736(6) 1 d G . P A 1
C43 C 1.0842(11) -0.0462(6) 0.6918(2) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H43 H 1.063844 -0.022626 0.676174 0.076 Uiso 0.736(6) 1 calc R U P A 1
C44 C 1.1834(10) -0.0825(6) 0.69126(19) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H44 H 1.230792 -0.083773 0.675247 0.076 Uiso 0.736(6) 1 calc R U P A 1
C45 C 1.2132(7) -0.1171(4) 0.71414(18) 0.064(2) Uani 0.736(6) 1 d G . P A 1
C46 C 1.1439(8) -0.1153(4) 0.73758(18) 0.064(2) Uani 0.736(6) 1 d G . P A 1
C47 C 1.1737(11) -0.1498(6) 0.76046(19) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H47 H 1.126352 -0.148573 0.776475 0.076 Uiso 0.736(6) 1 calc R U P A 1
C48 C 1.2729(12) -0.1861(5) 0.7599(2) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H48 H 1.293299 -0.209722 0.775549 0.076 Uiso 0.736(6) 1 calc R U P A 1
C49 C 1.3422(10) -0.1879(5) 0.7365(3) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H49 H 1.410023 -0.212747 0.736102 0.076 Uiso 0.736(6) 1 calc R U P A 1
C50 C 1.3124(9) -0.1534(6) 0.7136(2) 0.064(2) Uani 0.736(6) 1 d G . P A 1
H50 H 1.359801 -0.154625 0.697580 0.076 Uiso 0.736(6) 1 calc R U P A 1
C51 C 0.6904(12) -0.0107(6) 0.5452(3) 0.041(3) Uani 1 1 d . . . . .
C52 C 0.6979(14) -0.0551(7) 0.5657(4) 0.063(5) Uani 1 1 d . . . . .
H52 H 0.772187 -0.066470 0.572699 0.076 Uiso 1 1 calc R U . . .
C53 C 0.5997(16) -0.0823(7) 0.5759(5) 0.075(6) Uani 1 1 d . . . . .
H53 H 0.603143 -0.113471 0.589457 0.090 Uiso 1 1 calc R U . . .
C54 C 0.4911(17) -0.0608(10) 0.5649(6) 0.094(7) Uani 1 1 d . . . . .
H54 H 0.420627 -0.075780 0.572650 0.112 Uiso 1 1 calc R U . . .
C55 C 0.4843(16) -0.0225(10) 0.5452(6) 0.099(9) Uani 1 1 d . . . . .
H55 H 0.411163 -0.014383 0.536835 0.119 Uiso 1 1 calc R U . . .
C56 C 0.5790(19) 0.0060(9) 0.5365(5) 0.081(7) Uani 1 1 d . . . . .
H56 H 0.570857 0.038822 0.523976 0.097 Uiso 1 1 calc R U . . .
C61 C 0.8304(16) 0.1469(6) 0.5140(3) 0.047(3) Uani 1 1 d . . . . .
C62 C 0.7171(14) 0.1570(7) 0.5042(3) 0.054(4) Uani 1 1 d . . . . .
H62 H 0.650234 0.147494 0.514901 0.065 Uiso 1 1 calc R U . . .
C63 C 0.708(2) 0.1820(9) 0.4777(4) 0.077(6) Uani 1 1 d . . . . .
H63 H 0.632456 0.188079 0.469944 0.093 Uiso 1 1 calc R U . . .
C64 C 0.802(2) 0.1974(9) 0.4633(4) 0.078(7) Uani 1 1 d . . . . .
H64 H 0.793017 0.215684 0.445701 0.094 Uiso 1 1 calc R U . . .
C65 C 0.9147(19) 0.1868(8) 0.4737(4) 0.072(6) Uani 1 1 d . . . . .
H65 H 0.981039 0.196596 0.462813 0.087 Uiso 1 1 calc R U . . .
C66 C 0.9292(15) 0.1626(7) 0.4994(4) 0.059(5) Uani 1 1 d . . . . .
H66 H 1.004766 0.156685 0.506946 0.071 Uiso 1 1 calc R U . . .
C71 C 1.1174(9) -0.0199(5) 0.5123(2) 0.022(2) Uani 1 1 d . . . . .
C72 C 1.0579(11) -0.0062(5) 0.5353(2) 0.030(3) Uani 1 1 d . . . . .
C73 C 1.0591(13) -0.0418(6) 0.5599(3) 0.042(3) Uani 1 1 d . . . . .
H73 H 1.013735 -0.030754 0.575478 0.050 Uiso 1 1 calc R U . . .
C74 C 1.1271(11) -0.0914(6) 0.5600(3) 0.038(3) Uani 1 1 d . . . . .
H74 H 1.131601 -0.114840 0.576393 0.045 Uiso 1 1 calc R U . . .
C75 C 1.1928(8) -0.1105(5) 0.5367(3) 0.029(2) Uani 1 1 d . . . . .
C76 C 1.1886(8) -0.0752(5) 0.5125(2) 0.026(2) Uani 1 1 d . . . . .
C77 C 1.2524(12) -0.0930(6) 0.4896(3) 0.042(3) Uani 1 1 d . . . . .
H77 H 1.249129 -0.069511 0.473248 0.050 Uiso 1 1 calc R U . . .
C78 C 1.3211(16) -0.1452(6) 0.4906(3) 0.055(4) Uani 1 1 d . . . . .
H78 H 1.367584 -0.156840 0.475271 0.066 Uiso 1 1 calc R U . . .
C79 C 1.3198(14) -0.1797(6) 0.5143(4) 0.058(4) Uani 1 1 d . . . . .
H79 H 1.362707 -0.216620 0.514446 0.070 Uiso 1 1 calc R U . . .
C80 C 1.2624(12) -0.1642(6) 0.5369(3) 0.042(3) Uani 1 1 d . . . . .
H80 H 1.267456 -0.188545 0.553044 0.050 Uiso 1 1 calc R U . . .
F1 F 0.4583(16) -0.0126(9) 0.6601(4) 0.115(5) Uani 0.698(16) 1 d D . P B 1
F2 F 0.4864(15) -0.1077(9) 0.6494(4) 0.115(5) Uani 0.698(16) 1 d D . P B 1
F3 F 0.5514(15) -0.0724(10) 0.6886(4) 0.115(5) Uani 0.698(16) 1 d D . P B 1
F4 F 0.9056(15) -0.1560(5) 0.6012(3) 0.117(5) Uani 1 1 d . . . . .
F5 F 0.8750(13) -0.1864(4) 0.6424(4) 0.130(6) Uani 1 1 d . . . . .
F6 F 1.0139(10) -0.1316(5) 0.6319(4) 0.115(5) Uani 1 1 d . . . . .
F7 F 1.2294(12) -0.0038(7) 0.6191(4) 0.094(3) Uani 0.695(16) 1 d D . P C 1
F8 F 1.2791(13) 0.0527(8) 0.5853(3) 0.094(3) Uani 0.695(16) 1 d D . P C 1
F9 F 1.3162(14) 0.0813(7) 0.6265(4) 0.094(3) Uani 0.695(16) 1 d D . P C 1
F10 F 0.9389(18) 0.2794(6) 0.6011(5) 0.180(9) Uani 1 1 d . . . . .
F11 F 0.986(2) 0.2435(7) 0.5652(4) 0.188(11) Uani 1 1 d . . . . .
F12 F 1.1159(14) 0.2652(7) 0.5909(5) 0.169(9) Uani 1 1 d . . . . .
F13 F 0.4986(13) 0.1257(6) 0.5658(3) 0.115(5) Uani 1 1 d . . . . .
F14 F 0.5798(12) 0.2098(8) 0.5638(3) 0.131(6) Uani 1 1 d . . . . .
F15 F 0.4282(10) 0.1998(6) 0.5873(3) 0.092(4) Uani 1 1 d . . . . .
F16 F 0.579(3) 0.2681(11) 0.6746(5) 0.110(5) Uani 0.494(13) 1 d D . P D 1
F17 F 0.557(2) 0.1819(11) 0.6955(5) 0.110(5) Uani 0.494(13) 1 d D . P D 1
F18 F 0.7262(19) 0.2251(15) 0.6942(6) 0.110(5) Uani 0.494(13) 1 d D . P D 1
P1B P 0.9576(16) 0.0341(8) 0.6987(3) 0.0477(13) Uani 0.264(6) 1 d . . P A 2
O12B O 0.920(4) 0.065(2) 0.7246(8) 0.051(10) Uani 0.264(6) 1 d . . P A 2
C21B C 0.798(5) 0.066(3) 0.7295(12) 0.114(5) Uani 0.264(6) 1 d G . P A 2
C22B C 0.774(5) 0.121(3) 0.7423(13) 0.114(5) Uani 0.264(6) 1 d G . P A 2
H22B H 0.831180 0.152441 0.742284 0.137 Uiso 0.264(6) 1 calc R U P A 2
C23B C 0.668(6) 0.130(2) 0.7553(12) 0.114(5) Uani 0.264(6) 1 d G . P A 2
H23B H 0.651535 0.167744 0.764040 0.137 Uiso 0.264(6) 1 calc R U P A 2
C24B C 0.585(5) 0.084(3) 0.7553(11) 0.114(5) Uani 0.264(6) 1 d G . P A 2
H24B H 0.511633 0.090298 0.764179 0.137 Uiso 0.264(6) 1 calc R U P A 2
C25B C 0.608(5) 0.029(2) 0.7425(12) 0.114(5) Uani 0.264(6) 1 d G . P A 2
H25B H 0.551375 -0.002451 0.742561 0.137 Uiso 0.264(6) 1 calc R U P A 2
C26B C 0.715(6) 0.020(2) 0.7296(11) 0.114(5) Uani 0.264(6) 1 d G . P A 2
H26B H 0.731020 -0.017756 0.720804 0.137 Uiso 0.264(6) 1 calc R U P A 2
O13B O 1.081(3) 0.0653(18) 0.6946(8) 0.050(10) Uani 0.264(6) 1 d . . P A 2
C31B C 1.119(8) 0.117(3) 0.6884(16) 0.140(7) Uani 0.264(6) 1 d G . P A 2
C32B C 1.232(7) 0.137(3) 0.6835(17) 0.140(7) Uani 0.264(6) 1 d G . P A 2
H32B H 1.295833 0.109890 0.684870 0.168 Uiso 0.264(6) 1 calc R U P A 2
C33B C 1.252(7) 0.198(4) 0.6767(16) 0.140(7) Uani 0.264(6) 1 d G . P A 2
H33B H 1.329476 0.211719 0.673436 0.168 Uiso 0.264(6) 1 calc R U P A 2
C34B C 1.159(9) 0.238(3) 0.6748(16) 0.140(7) Uani 0.264(6) 1 d G . P A 2
H34B H 1.172872 0.279543 0.670164 0.168 Uiso 0.264(6) 1 calc R U P A 2
C35B C 1.046(7) 0.218(3) 0.6797(18) 0.140(7) Uani 0.264(6) 1 d G . P A 2
H35B H 0.982624 0.245539 0.678327 0.168 Uiso 0.264(6) 1 calc R U P A 2
C36B C 1.026(6) 0.158(4) 0.6864(17) 0.140(7) Uani 0.264(6) 1 d G . P A 2
H36B H 0.948978 0.143710 0.689761 0.168 Uiso 0.264(6) 1 calc R U P A 2
O14B O 0.987(4) -0.0338(17) 0.7049(9) 0.060(13) Uani 0.264(6) 1 d . . P A 2
C41B C 1.061(2) -0.0920(17) 0.7417(6) 0.064(2) Uani 0.264(6) 1 d G . P A 2
C42B C 1.078(3) -0.0610(16) 0.7171(6) 0.064(2) Uani 0.264(6) 1 d G . P A 2
C43B C 1.185(3) -0.0639(15) 0.7037(6) 0.064(2) Uani 0.264(6) 1 d G . P A 2
H43B H 1.196221 -0.042747 0.686906 0.076 Uiso 0.264(6) 1 calc R U P A 2
C44B C 1.275(2) -0.0978(15) 0.7150(5) 0.064(2) Uani 0.264(6) 1 d G . P A 2
H44B H 1.348637 -0.099788 0.705831 0.076 Uiso 0.264(6) 1 calc R U P A 2
C45B C 1.2590(18) -0.1288(11) 0.7396(4) 0.064(2) Uani 0.264(6) 1 d G . P A 2
C46B C 1.1520(18) -0.1259(12) 0.7529(5) 0.056(7) Uani 0.264(6) 1 d G . P A 2
C47B C 1.136(2) -0.1569(16) 0.7775(5) 0.056(7) Uani 0.264(6) 1 d G . P A 2
H47B H 1.062398 -0.154867 0.786682 0.067 Uiso 0.264(6) 1 calc R U P A 2
C48B C 1.226(3) -0.1907(15) 0.7888(5) 0.056(7) Uani 0.264(6) 1 d G . P A 2
H48B H 1.214811 -0.211910 0.805608 0.067 Uiso 0.264(6) 1 calc R U P A 2
C49B C 1.333(3) -0.1936(15) 0.7754(6) 0.056(7) Uani 0.264(6) 1 d G . P A 2
H49B H 1.394961 -0.216803 0.783108 0.067 Uiso 0.264(6) 1 calc R U P A 2
C50B C 1.350(2) -0.1627(15) 0.7508(6) 0.056(7) Uani 0.264(6) 1 d G . P A 2
H50B H 1.422700 -0.164654 0.741682 0.067 Uiso 0.264(6) 1 calc R U P A 2
C16B C 0.630(2) 0.2247(11) 0.6745(5) 0.084(8) Uani 0.506(13) 1 d D U P D 2
F16B F 0.675(2) 0.2798(10) 0.6686(4) 0.110(5) Uani 0.506(13) 1 d D . P D 2
F17B F 0.5142(19) 0.2331(14) 0.6784(6) 0.110(5) Uani 0.506(13) 1 d D . P D 2
F18B F 0.674(3) 0.2083(13) 0.6991(5) 0.110(5) Uani 0.506(13) 1 d D . P D 2
F1B F 0.517(4) -0.0995(18) 0.6769(10) 0.115(5) Uani 0.302(16) 1 d D . P B 2
F2B F 0.489(4) -0.0013(17) 0.6748(9) 0.115(5) Uani 0.302(16) 1 d D . P B 2
F3B F 0.450(3) -0.058(2) 0.6390(7) 0.115(5) Uani 0.302(16) 1 d D . P B 2
C6B C 1.237(3) 0.0593(13) 0.6174(6) 0.071(3) Uani 0.305(16) 1 d D . P C 2
F7B F 1.250(3) 0.0249(17) 0.6395(7) 0.094(3) Uani 0.305(16) 1 d D . P C 2
F8B F 1.252(3) 0.0247(17) 0.5954(8) 0.094(3) Uani 0.305(16) 1 d D . P C 2
F9B F 1.319(3) 0.1017(13) 0.6176(8) 0.094(3) Uani 0.305(16) 1 d D . P C 2



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_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
Eu1 O21 2.362(8) . ?
Eu1 O4 2.372(10) . ?
Eu1 O11 2.382(9) . ?
Eu1 O5 2.387(9) . ?
Eu1 O1 2.392(10) . ?
Eu1 O3 2.398(8) . ?
Eu1 O6 2.399(9) . ?
Eu1 O2 2.422(8) . ?
P1 O11 1.388(11) . ?
P1 O14 1.567(16) . ?
P1 O13 1.58(2) . ?
P1 O12 1.593(17) . ?
P2 O21 1.454(9) . ?
P2 O22 1.550(12) . ?
P2 O23 1.551(8) . ?
P2 O24 1.578(9) . ?
O1 C2 1.220(18) . ?
O2 C4 1.225(14) . ?
O3 C7 1.236(17) . ?
O4 C9 1.237(19) . ?
O5 C12 1.262(15) . ?
O6 C15 1.271(18) . ?
O11 P1B 1.569(18) . ?
O12 C21 1.378(19) . ?
O13 C31 1.42(3) . ?
O14 C42 1.396(18) . ?
O22 C51 1.407(17) . ?
O23 C61 1.418(14) . ?
O24 C72 1.426(13) . ?
C1 F1 1.369(14) . ?
C1 F2 1.379(14) . ?
C1 F3 1.380(14) . ?
C1 C2 1.50(3) . ?
C1B F2B 1.374(15) . ?
C1B F3B 1.375(15) . ?
C1B F1B 1.378(15) . ?
C1B C2 1.54(4) . ?
C2 C3 1.41(2) . ?
C3 C4 1.40(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.535(18) . ?
C5 F6 1.27(2) . ?
C5 F5 1.28(2) . ?
C5 F4 1.32(3) . ?
C6 F7 1.325(13) . ?
C6 F9 1.329(13) . ?
C6 F8 1.332(13) . ?
C6 C7 1.56(2) . ?
C7 C8 1.41(2) . ?
C7 C6B 1.50(3) . ?
C8 C9 1.37(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.51(2) . ?
C10 F12 1.22(2) . ?
C10 F11 1.30(3) . ?
C10 F10 1.33(3) . ?
C11 F13 1.26(2) . ?
C11 F15 1.320(17) . ?
C11 F14 1.33(2) . ?
C11 C12 1.54(2) . ?
C12 C14 1.33(2) . ?
C14 C15 1.36(2) . ?
C14 H14 0.9500 . ?
C15 C16B 1.50(3) . ?
C15 C16 1.54(3) . ?
C16 F16 1.348(14) . ?
C16 F18 1.349(15) . ?
C16 F17 1.350(15) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C32 H32 0.9500 . ?
C33 C34 1.3900 . ?
C33 H33 0.9500 . ?
C34 C35 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.3900 . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C41 C41 1.54(2) 4_756 ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C43 H43 0.9500 . ?
C44 C45 1.3900 . ?
C44 H44 0.9500 . ?
C45 C46 1.3900 . ?
C45 C50 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C47 H47 0.9500 . ?
C48 C49 1.3900 . ?
C48 H48 0.9500 . ?
C49 C50 1.3900 . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C56 1.39(2) . ?
C51 C52 1.40(2) . ?
C52 C53 1.37(2) . ?
C52 H52 0.9500 . ?
C53 C54 1.44(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.28(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.32(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.38(2) . ?
C61 C62 1.40(2) . ?
C62 C63 1.40(2) . ?
C62 H62 0.9500 . ?
C63 C64 1.33(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.41(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.37(2) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.347(16) . ?
C71 C76 1.465(15) . ?
C71 C71 1.479(19) 3_556 ?
C72 C73 1.429(16) . ?
C73 C74 1.341(17) . ?
C73 H73 0.9500 . ?
C74 C75 1.427(17) . ?
C74 H74 0.9500 . ?
C75 C76 1.408(15) . ?
C75 C80 1.426(16) . ?
C76 C77 1.389(16) . ?
C77 C78 1.394(18) . ?
C77 H77 0.9500 . ?
C78 C79 1.38(2) . ?
C78 H78 0.9500 . ?
C79 C80 1.33(2) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
P1B O12B 1.49(4) . ?
P1B O14B 1.56(4) . ?
P1B O13B 1.59(3) . ?
O12B C21B 1.42(6) . ?
C21B C22B 1.3900 . ?
C21B C26B 1.3900(13) . ?
C22B C23B 1.3900 . ?
C22B H22B 0.9500 . ?
C23B C24B 1.3900(10) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.3900 . ?
C24B C24B 2.01(11) 4_656 ?
C24B H24B 0.9500 . ?
C25B C26B 1.3900 . ?
C25B H25B 0.9500 . ?
C26B H26B 0.9500 . ?
O13B C31B 1.26(6) . ?
C31B C32B 1.3900(13) . ?
C31B C36B 1.3900 . ?
C32B C33B 1.3900 . ?
C32B H32B 0.9500 . ?
C33B C34B 1.3900 . ?
C33B H33B 0.9500 . ?
C34B C35B 1.3900(13) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.3900 . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
O14B C42B 1.34(4) . ?
C41B C42B 1.3900 . ?
C41B C46B 1.3900 . ?
C41B C41B 1.62(5) 4_756 ?
C42B C43B 1.3900 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9500 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9500 . ?
C45B C46B 1.3900 . ?
C45B C50B 1.3900 . ?
C46B C47B 1.3900 . ?
C47B C48B 1.3900 . ?
C47B H47B 0.9500 . ?
C48B C49B 1.3900 . ?
C48B H48B 0.9500 . ?
C49B C50B 1.3900 . ?
C49B H49B 0.9500 . ?
C50B H50B 0.9500 . ?
C16B F18B 1.348(15) . ?
C16B F16B 1.348(15) . ?
C16B F17B 1.350(15) . ?
C6B F7B 1.324(14) . ?
C6B F9B 1.325(14) . ?
C6B F8B 1.326(14) . ?

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
O21 Eu1 O4 78.1(3) . . ?
O21 Eu1 O11 145.4(3) . . ?
O4 Eu1 O11 111.8(3) . . ?
O21 Eu1 O5 73.2(3) . . ?
O4 Eu1 O5 79.1(3) . . ?
O11 Eu1 O5 140.1(3) . . ?
O21 Eu1 O1 110.3(3) . . ?
O4 Eu1 O1 149.2(3) . . ?
O11 Eu1 O1 78.7(3) . . ?
O5 Eu1 O1 75.6(3) . . ?
O21 Eu1 O3 77.8(3) . . ?
O4 Eu1 O3 71.5(3) . . ?
O11 Eu1 O3 74.7(3) . . ?
O5 Eu1 O3 142.1(3) . . ?
O1 Eu1 O3 138.5(3) . . ?
O21 Eu1 O6 139.4(3) . . ?
O4 Eu1 O6 75.8(3) . . ?
O11 Eu1 O6 74.2(3) . . ?
O5 Eu1 O6 71.7(3) . . ?
O1 Eu1 O6 79.9(3) . . ?
O3 Eu1 O6 121.2(4) . . ?
O21 Eu1 O2 73.8(3) . . ?
O4 Eu1 O2 137.7(3) . . ?
O11 Eu1 O2 78.0(3) . . ?
O5 Eu1 O2 120.6(3) . . ?
O1 Eu1 O2 71.7(3) . . ?
O3 Eu1 O2 72.1(3) . . ?
O6 Eu1 O2 143.4(3) . . ?
O11 P1 O14 114.9(8) . . ?
O11 P1 O13 116.6(9) . . ?
O14 P1 O13 105.3(10) . . ?
O11 P1 O12 106.5(8) . . ?
O14 P1 O12 104.1(9) . . ?
O13 P1 O12 108.7(11) . . ?
O21 P2 O22 115.1(6) . . ?
O21 P2 O23 109.7(5) . . ?
O22 P2 O23 110.4(6) . . ?
O21 P2 O24 115.4(5) . . ?
O22 P2 O24 103.3(6) . . ?
O23 P2 O24 102.0(5) . . ?
C2 O1 Eu1 131.5(10) . . ?
C4 O2 Eu1 133.0(8) . . ?
C7 O3 Eu1 132.9(10) . . ?
C9 O4 Eu1 133.4(10) . . ?
C12 O5 Eu1 134.3(9) . . ?
C15 O6 Eu1 134.7(10) . . ?
P1 O11 Eu1 158.1(7) . . ?
P1B O11 Eu1 160.3(9) . . ?
C21 O12 P1 125.7(16) . . ?
C31 O13 P1 121.4(9) . . ?
C42 O14 P1 123.8(12) . . ?
P2 O21 Eu1 161.8(5) . . ?
C51 O22 P2 122.9(9) . . ?
C61 O23 P2 124.3(8) . . ?
C72 O24 P2 124.5(8) . . ?
F1 C1 F2 104.9(13) . . ?
F1 C1 F3 105.5(14) . . ?
F2 C1 F3 105.0(13) . . ?
F1 C1 C2 111.9(16) . . ?
F2 C1 C2 115.3(17) . . ?
F3 C1 C2 113.3(17) . . ?
F2B C1B F3B 105.7(15) . . ?
F2B C1B F1B 105.2(15) . . ?
F3B C1B F1B 105.4(15) . . ?
F2B C1B C2 113(3) . . ?
F3B C1B C2 111(3) . . ?
F1B C1B C2 117(3) . . ?
O1 C2 C3 131.6(15) . . ?
O1 C2 C1 118.7(15) . . ?
C3 C2 C1 109.7(14) . . ?
O1 C2 C1B 110.8(19) . . ?
C3 C2 C1B 117.5(19) . . ?
C4 C3 C2 118.8(14) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
O2 C4 C3 128.3(12) . . ?
O2 C4 C5 114.4(13) . . ?
C3 C4 C5 116.8(13) . . ?
F6 C5 F5 107.7(18) . . ?
F6 C5 F4 101.5(17) . . ?
F5 C5 F4 111(2) . . ?
F6 C5 C4 110.4(17) . . ?
F5 C5 C4 114.3(16) . . ?
F4 C5 C4 111.5(16) . . ?
F7 C6 F9 108.1(12) . . ?
F7 C6 F8 107.3(12) . . ?
F9 C6 F8 107.6(12) . . ?
F7 C6 C7 110.6(14) . . ?
F9 C6 C7 109.3(15) . . ?
F8 C6 C7 113.7(15) . . ?
O3 C7 C8 126.3(15) . . ?
O3 C7 C6B 114.3(16) . . ?
C8 C7 C6B 118.7(16) . . ?
O3 C7 C6 117.4(13) . . ?
C8 C7 C6 116.1(13) . . ?
C9 C8 C7 122.3(16) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
O4 C9 C8 127.5(16) . . ?
O4 C9 C10 116.3(15) . . ?
C8 C9 C10 116.2(15) . . ?
F12 C10 F11 105(2) . . ?
F12 C10 F10 112(2) . . ?
F11 C10 F10 98(2) . . ?
F12 C10 C9 116.8(17) . . ?
F11 C10 C9 110.4(19) . . ?
F10 C10 C9 113.0(16) . . ?
F13 C11 F15 109.0(17) . . ?
F13 C11 F14 106.4(17) . . ?
F15 C11 F14 104.4(15) . . ?
F13 C11 C12 114.7(13) . . ?
F15 C11 C12 112.4(14) . . ?
F14 C11 C12 109.3(15) . . ?
O5 C12 C14 128.3(13) . . ?
O5 C12 C11 112.9(12) . . ?
C14 C12 C11 118.7(12) . . ?
C12 C14 C15 124.0(12) . . ?
C12 C14 H14 118.0 . . ?
C15 C14 H14 118.0 . . ?
O6 C15 C14 126.6(14) . . ?
O6 C15 C16B 116.9(16) . . ?
C14 C15 C16B 116.1(15) . . ?
O6 C15 C16 108.9(15) . . ?
C14 C15 C16 124.4(16) . . ?
F16 C16 F18 106.3(14) . . ?
F16 C16 F17 106.7(14) . . ?
F18 C16 F17 106.5(15) . . ?
F16 C16 C15 111(2) . . ?
F18 C16 C15 115(2) . . ?
F17 C16 C15 111(2) . . ?
O12 C21 C22 118.8(17) . . ?
O12 C21 C26 120.8(18) . . ?
C22 C21 C26 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 O13 120.2(6) . . ?
C36 C31 O13 119.8(6) . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
C42 C41 C46 120.0 . . ?
C42 C41 C41 115.8(9) . 4_756 ?
C46 C41 C41 123.9(8) . 4_756 ?
C41 C42 C43 120.0 . . ?
C41 C42 O14 117.6(9) . . ?
C43 C42 O14 122.1(9) . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 C50 120.0 . . ?
C44 C45 C50 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 C41 120.0 . . ?
C45 C46 C41 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C45 120.0 . . ?
C49 C50 H50 120.0 . . ?
C45 C50 H50 120.0 . . ?
C56 C51 C52 117.2(16) . . ?
C56 C51 O22 122.0(15) . . ?
C52 C51 O22 120.8(12) . . ?
C53 C52 C51 120.9(15) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 115.7(18) . . ?
C52 C53 H53 122.2 . . ?
C54 C53 H53 122.2 . . ?
C55 C54 C53 123(2) . . ?
C55 C54 H54 118.3 . . ?
C53 C54 H54 118.3 . . ?
C54 C55 C56 120.2(19) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C55 C56 C51 122.0(19) . . ?
C55 C56 H56 119.0 . . ?
C51 C56 H56 119.0 . . ?
C66 C61 C62 123.0(13) . . ?
C66 C61 O23 118.7(15) . . ?
C62 C61 O23 117.9(14) . . ?
C61 C62 C63 116.6(16) . . ?
C61 C62 H62 121.7 . . ?
C63 C62 H62 121.7 . . ?
C64 C63 C62 121.3(19) . . ?
C64 C63 H63 119.4 . . ?
C62 C63 H63 119.4 . . ?
C63 C64 C65 121.0(16) . . ?
C63 C64 H64 119.5 . . ?
C65 C64 H64 119.5 . . ?
C66 C65 C64 120.2(18) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C65 C66 C61 117.9(17) . . ?
C65 C66 H66 121.0 . . ?
C61 C66 H66 121.0 . . ?
C72 C71 C76 117.4(9) . . ?
C72 C71 C71 122.5(11) . 3_556 ?
C76 C71 C71 119.9(10) . 3_556 ?
C71 C72 O24 116.6(10) . . ?
C71 C72 C73 124.7(11) . . ?
O24 C72 C73 118.6(10) . . ?
C74 C73 C72 117.1(11) . . ?
C74 C73 H73 121.5 . . ?
C72 C73 H73 121.5 . . ?
C73 C74 C75 122.9(11) . . ?
C73 C74 H74 118.5 . . ?
C75 C74 H74 118.5 . . ?
C76 C75 C80 118.9(11) . . ?
C76 C75 C74 118.9(10) . . ?
C80 C75 C74 122.2(12) . . ?
C77 C76 C75 119.7(10) . . ?
C77 C76 C71 121.3(10) . . ?
C75 C76 C71 118.9(9) . . ?
C76 C77 C78 120.2(12) . . ?
C76 C77 H77 119.9 . . ?
C78 C77 H77 119.9 . . ?
C79 C78 C77 118.3(13) . . ?
C79 C78 H78 120.9 . . ?
C77 C78 H78 120.9 . . ?
C80 C79 C78 123.9(13) . . ?
C80 C79 H79 118.0 . . ?
C78 C79 H79 118.0 . . ?
C79 C80 C75 118.8(13) . . ?
C79 C80 H80 120.6 . . ?
C75 C80 H80 120.6 . . ?
O12B P1B O14B 109(3) . . ?
O12B P1B O11 118.4(18) . . ?
O14B P1B O11 114.2(19) . . ?
O12B P1B O13B 100(3) . . ?
O14B P1B O13B 104(3) . . ?
O11 P1B O13B 109.2(16) . . ?
C21B O12B P1B 115(4) . . ?
C22B C21B C26B 120.00(7) . . ?
C22B C21B O12B 106(5) . . ?
C26B C21B O12B 132(5) . . ?
C23B C22B C21B 120.00(11) . . ?
C23B C22B H22B 120.0 . . ?
C21B C22B H22B 120.0 . . ?
C22B C23B C24B 120.0 . . ?
C22B C23B H23B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C25B C24B C23B 120.00(6) . . ?
C25B C24B H24B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C24B C24B H24B 42.9 4_656 . ?
C24B C25B C26B 120.00(12) . . ?
C24B C25B H25B 120.0 . . ?
C26B C25B H25B 120.0 . . ?
C25B C26B C21B 120.0 . . ?
C25B C26B H26B 120.0 . . ?
C21B C26B H26B 120.0 . . ?
C31B O13B P1B 137(5) . . ?
O13B C31B C32B 131(6) . . ?
O13B C31B C36B 109(6) . . ?
C32B C31B C36B 120.0 . . ?
C31B C32B C33B 120.00(6) . . ?
C31B C32B H32B 120.0 . . ?
C33B C32B H32B 120.0 . . ?
C32B C33B C34B 120.00(12) . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
C35B C34B C33B 120.00(6) . . ?
C35B C34B H34B 120.0 . . ?
C33B C34B H34B 120.0 . . ?
C34B C35B C36B 120.00(6) . . ?
C34B C35B H35B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C35B C36B C31B 120.00(10) . . ?
C35B C36B H36B 120.0 . . ?
C31B C36B H36B 120.0 . . ?
C42B O14B P1B 133(4) . . ?
C42B C41B C46B 120.0 . . ?
C42B C41B C41B 123(2) . 4_756 ?
C46B C41B C41B 117(2) . 4_756 ?
O14B C42B C43B 120(3) . . ?
O14B C42B C41B 120(3) . . ?
C43B C42B C41B 120.0 . . ?
C42B C43B C44B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C45B C44B C43B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C44B C45B C46B 120.0 . . ?
C44B C45B C50B 120.0 . . ?
C46B C45B C50B 120.0 . . ?
C45B C46B C47B 120.0 . . ?
C45B C46B C41B 120.0 . . ?
C47B C46B C41B 120.0 . . ?
C48B C47B C46B 120.0 . . ?
C48B C47B H47B 120.0 . . ?
C46B C47B H47B 120.0 . . ?
C47B C48B C49B 120.0 . . ?
C47B C48B H48B 120.0 . . ?
C49B C48B H48B 120.0 . . ?
C50B C49B C48B 120.0 . . ?
C50B C49B H49B 120.0 . . ?
C48B C49B H49B 120.0 . . ?
C49B C50B C45B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C45B C50B H50B 120.0 . . ?
F18B C16B F16B 106.5(14) . . ?
F18B C16B F17B 106.6(14) . . ?
F16B C16B F17B 106.3(14) . . ?
F18B C16B C15 115(2) . . ?
F16B C16B C15 111(2) . . ?
F17B C16B C15 111(2) . . ?
F7B C6B F9B 108.3(14) . . ?
F7B C6B F8B 108.2(14) . . ?
F9B C6B F8B 108.3(14) . . ?
F7B C6B C7 116(3) . . ?
F9B C6B C7 111(3) . . ?
F8B C6B C7 105(3) . . ?

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
O14 P1 O11 Eu1 154.1(16) . . . . ?
O13 P1 O11 Eu1 -82(2) . . . . ?
O12 P1 O11 Eu1 39(2) . . . . ?
O11 P1 O12 C21 173(2) . . . . ?
O14 P1 O12 C21 51(2) . . . . ?
O13 P1 O12 C21 -60(2) . . . . ?
O11 P1 O13 C31 16.6(15) . . . . ?
O14 P1 O13 C31 145.2(11) . . . . ?
O12 P1 O13 C31 -103.8(12) . . . . ?
O11 P1 O14 C42 69.7(16) . . . . ?
O13 P1 O14 C42 -59.9(17) . . . . ?
O12 P1 O14 C42 -174.2(15) . . . . ?
O22 P2 O21 Eu1 -102.9(18) . . . . ?
O23 P2 O21 Eu1 22(2) . . . . ?
O24 P2 O21 Eu1 136.8(16) . . . . ?
O21 P2 O22 C51 26.8(12) . . . . ?
O23 P2 O22 C51 -97.9(10) . . . . ?
O24 P2 O22 C51 153.6(9) . . . . ?
O21 P2 O23 C61 -176.0(12) . . . . ?
O22 P2 O23 C61 -48.2(14) . . . . ?
O24 P2 O23 C61 61.1(14) . . . . ?
O21 P2 O24 C72 64.1(12) . . . . ?
O22 P2 O24 C72 -62.4(11) . . . . ?
O23 P2 O24 C72 -177.0(10) . . . . ?
Eu1 O1 C2 C3 -15(3) . . . . ?
Eu1 O1 C2 C1 167.0(11) . . . . ?
Eu1 O1 C2 C1B 169.2(16) . . . . ?
F1 C1 C2 O1 6(2) . . . . ?
F2 C1 C2 O1 125.6(19) . . . . ?
F3 C1 C2 O1 -113.4(19) . . . . ?
F1 C1 C2 C3 -172.6(17) . . . . ?
F2 C1 C2 C3 -53(2) . . . . ?
F3 C1 C2 C3 68(2) . . . . ?
F2B C1B C2 O1 -39(3) . . . . ?
F3B C1B C2 O1 80(3) . . . . ?
F1B C1B C2 O1 -160(2) . . . . ?
F2B C1B C2 C3 145(3) . . . . ?
F3B C1B C2 C3 -97(3) . . . . ?
F1B C1B C2 C3 23(3) . . . . ?
O1 C2 C3 C4 -3(4) . . . . ?
C1 C2 C3 C4 174.9(17) . . . . ?
C1B C2 C3 C4 172(2) . . . . ?
Eu1 O2 C4 C3 18(2) . . . . ?
Eu1 O2 C4 C5 -169.6(13) . . . . ?
C2 C3 C4 O2 1(3) . . . . ?
C2 C3 C4 C5 -170.5(19) . . . . ?
O2 C4 C5 F6 48(2) . . . . ?
C3 C4 C5 F6 -139(2) . . . . ?
O2 C4 C5 F5 169.3(19) . . . . ?
C3 C4 C5 F5 -18(3) . . . . ?
O2 C4 C5 F4 -64(2) . . . . ?
C3 C4 C5 F4 108.7(19) . . . . ?
Eu1 O3 C7 C8 16(3) . . . . ?
Eu1 O3 C7 C6B -173.5(15) . . . . ?
Eu1 O3 C7 C6 -159.7(11) . . . . ?
F7 C6 C7 O3 9(2) . . . . ?
F9 C6 C7 O3 -110.2(18) . . . . ?
F8 C6 C7 O3 129.6(17) . . . . ?
F7 C6 C7 C8 -167.2(17) . . . . ?
F9 C6 C7 C8 74(2) . . . . ?
F8 C6 C7 C8 -46(2) . . . . ?
O3 C7 C8 C9 7(4) . . . . ?
C6B C7 C8 C9 -163(2) . . . . ?
C6 C7 C8 C9 -177.5(19) . . . . ?
Eu1 O4 C9 C8 -16(4) . . . . ?
Eu1 O4 C9 C10 166.8(13) . . . . ?
C7 C8 C9 O4 -7(4) . . . . ?
C7 C8 C9 C10 170(2) . . . . ?
O4 C9 C10 F12 151(2) . . . . ?
C8 C9 C10 F12 -27(3) . . . . ?
O4 C9 C10 F11 -90(3) . . . . ?
C8 C9 C10 F11 93(3) . . . . ?
O4 C9 C10 F10 19(3) . . . . ?
C8 C9 C10 F10 -158(2) . . . . ?
Eu1 O5 C12 C14 -10(3) . . . . ?
Eu1 O5 C12 C11 174.1(10) . . . . ?
F13 C11 C12 O5 33(2) . . . . ?
F15 C11 C12 O5 158.6(15) . . . . ?
F14 C11 C12 O5 -86.0(18) . . . . ?
F13 C11 C12 C14 -143.0(18) . . . . ?
F15 C11 C12 C14 -18(2) . . . . ?
F14 C11 C12 C14 97.6(19) . . . . ?
O5 C12 C14 C15 7(3) . . . . ?
C11 C12 C14 C15 -177.2(16) . . . . ?
Eu1 O6 C15 C14 0(3) . . . . ?
Eu1 O6 C15 C16B -173.1(12) . . . . ?
Eu1 O6 C15 C16 176.8(12) . . . . ?
C12 C14 C15 O6 -2(3) . . . . ?
C12 C14 C15 C16B 171.2(17) . . . . ?
C12 C14 C15 C16 -178.3(17) . . . . ?
O6 C15 C16 F16 154.1(16) . . . . ?
C14 C15 C16 F16 -29(3) . . . . ?
O6 C15 C16 F18 34(2) . . . . ?
C14 C15 C16 F18 -149.5(19) . . . . ?
O6 C15 C16 F17 -88(2) . . . . ?
C14 C15 C16 F17 89(2) . . . . ?
P1 O12 C21 C22 106(2) . . . . ?
P1 O12 C21 C26 -82(2) . . . . ?
O12 C21 C22 C23 172(2) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
O12 C21 C26 C25 -172(2) . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
P1 O13 C31 C32 -98.6(15) . . . . ?
P1 O13 C31 C36 81.6(15) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
O13 C31 C32 C33 -179.8(5) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
O13 C31 C36 C35 179.8(5) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C41 C41 C42 C43 -173.8(10) 4_756 . . . ?
C46 C41 C42 O14 173.8(13) . . . . ?
C41 C41 C42 O14 0.0(11) 4_756 . . . ?
P1 O14 C42 C41 149.6(9) . . . . ?
P1 O14 C42 C43 -36.7(19) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
O14 C42 C43 C44 -173.5(14) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C43 C44 C45 C50 180.0 . . . . ?
C44 C45 C46 C47 180.0 . . . . ?
C50 C45 C46 C47 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C50 C45 C46 C41 180.0 . . . . ?
C42 C41 C46 C47 180.0 . . . . ?
C41 C41 C46 C47 -6.7(11) 4_756 . . . ?
C42 C41 C46 C45 0.0 . . . . ?
C41 C41 C46 C45 173.3(11) 4_756 . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C41 C46 C47 C48 180.0 . . . . ?
C46 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C45 0.0 . . . . ?
C46 C45 C50 C49 0.0 . . . . ?
C44 C45 C50 C49 180.0 . . . . ?
P2 O22 C51 C56 109.8(15) . . . . ?
P2 O22 C51 C52 -71.7(16) . . . . ?
C56 C51 C52 C53 2(3) . . . . ?
O22 C51 C52 C53 -176.1(15) . . . . ?
C51 C52 C53 C54 -2(3) . . . . ?
C52 C53 C54 C55 6(3) . . . . ?
C53 C54 C55 C56 -10(4) . . . . ?
C54 C55 C56 C51 10(4) . . . . ?
C52 C51 C56 C55 -6(3) . . . . ?
O22 C51 C56 C55 172(2) . . . . ?
P2 O23 C61 C66 -83.4(16) . . . . ?
P2 O23 C61 C62 103.3(13) . . . . ?
C66 C61 C62 C63 3(2) . . . . ?
O23 C61 C62 C63 175.6(14) . . . . ?
C61 C62 C63 C64 -3(3) . . . . ?
C62 C63 C64 C65 3(3) . . . . ?
C63 C64 C65 C66 -2(3) . . . . ?
C64 C65 C66 C61 2(3) . . . . ?
C62 C61 C66 C65 -3(2) . . . . ?
O23 C61 C66 C65 -175.5(14) . . . . ?
C76 C71 C72 O24 176.4(10) . . . . ?
C71 C71 C72 O24 -0.6(17) 3_556 . . . ?
C76 C71 C72 C73 -0.2(19) . . . . ?
C71 C71 C72 C73 -177.2(12) 3_556 . . . ?
P2 O24 C72 C71 143.1(10) . . . . ?
P2 O24 C72 C73 -40.1(17) . . . . ?
C71 C72 C73 C74 2(2) . . . . ?
O24 C72 C73 C74 -174.7(12) . . . . ?
C72 C73 C74 C75 -2(2) . . . . ?
C73 C74 C75 C76 1.4(19) . . . . ?
C73 C74 C75 C80 -178.4(13) . . . . ?
C80 C75 C76 C77 -0.4(16) . . . . ?
C74 C75 C76 C77 179.8(11) . . . . ?
C80 C75 C76 C71 -179.9(10) . . . . ?
C74 C75 C76 C71 0.4(15) . . . . ?
C72 C71 C76 C77 179.7(12) . . . . ?
C71 C71 C76 C77 -3.3(15) 3_556 . . . ?
C72 C71 C76 C75 -0.9(15) . . . . ?
C71 C71 C76 C75 176.1(9) 3_556 . . . ?
C75 C76 C77 C78 -0.6(19) . . . . ?
C71 C76 C77 C78 178.9(13) . . . . ?
C76 C77 C78 C79 3(2) . . . . ?
C77 C78 C79 C80 -4(3) . . . . ?
C78 C79 C80 C75 3(3) . . . . ?
C76 C75 C80 C79 -0.8(19) . . . . ?
C74 C75 C80 C79 179.0(14) . . . . ?
Eu1 O11 P1B O12B 124(3) . . . . ?
Eu1 O11 P1B O14B -105(3) . . . . ?
Eu1 O11 P1B O13B 11(4) . . . . ?
O14B P1B O12B C21B -94(4) . . . . ?
O11 P1B O12B C21B 40(5) . . . . ?
O13B P1B O12B C21B 158(4) . . . . ?
P1B O12B C21B C22B -145(3) . . . . ?
P1B O12B C21B C26B 52(6) . . . . ?
C26B C21B C22B C23B 0.0 . . . . ?
O12B C21B C22B C23B -166(5) . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C22B C23B C24B C25B 0.0 . . . . ?
C22B C23B C24B C24B -128(8) . . . 4_656 ?
C23B C24B C25B C26B 0.0 . . . . ?
C24B C24B C25B C26B 144(5) 4_656 . . . ?
C24B C25B C26B C21B 0.0 . . . . ?
C22B C21B C26B C25B 0.0 . . . . ?
O12B C21B C26B C25B 161(6) . . . . ?
O12B P1B O13B C31B -70(7) . . . . ?
O14B P1B O13B C31B 177(7) . . . . ?
O11 P1B O13B C31B 55(7) . . . . ?
P1B O13B C31B C32B -175(4) . . . . ?
P1B O13B C31B C36B 5(9) . . . . ?
O13B C31B C32B C33B 180(8) . . . . ?
C36B C31B C32B C33B 0.0 . . . . ?
C31B C32B C33B C34B 0.0 . . . . ?
C32B C33B C34B C35B 0.0 . . . . ?
C33B C34B C35B C36B 0.0 . . . . ?
C34B C35B C36B C31B 0.0 . . . . ?
O13B C31B C36B C35B -180(7) . . . . ?
C32B C31B C36B C35B 0.0 . . . . ?
O12B P1B O14B C42B -75(6) . . . . ?
O11 P1B O14B C42B 150(5) . . . . ?
O13B P1B O14B C42B 31(6) . . . . ?
P1B O14B C42B C43B -72(6) . . . . ?
P1B O14B C42B C41B 115(5) . . . . ?
C46B C41B C42B O14B 173(3) . . . . ?
C41B C41B C42B O14B -6(3) 4_756 . . . ?
C46B C41B C42B C43B 0.0 . . . . ?
C41B C41B C42B C43B -179(2) 4_756 . . . ?
O14B C42B C43B C44B -173(3) . . . . ?
C41B C42B C43B C44B 0.0 . . . . ?
C42B C43B C44B C45B 0.0 . . . . ?
C43B C44B C45B C46B 0.0 . . . . ?
C43B C44B C45B C50B 180.0 . . . . ?
C44B C45B C46B C47B 180.0 . . . . ?
C50B C45B C46B C47B 0.0 . . . . ?
C44B C45B C46B C41B 0.0 . . . . ?
C50B C45B C46B C41B 180.0 . . . . ?
C42B C41B C46B C45B 0.0 . . . . ?
C41B C41B C46B C45B 179(2) 4_756 . . . ?
C42B C41B C46B C47B 180.0 . . . . ?
C41B C41B C46B C47B -1(2) 4_756 . . . ?
C45B C46B C47B C48B 0.0 . . . . ?
C41B C46B C47B C48B 180.0 . . . . ?
C46B C47B C48B C49B 0.0 . . . . ?
C47B C48B C49B C50B 0.0 . . . . ?
C48B C49B C50B C45B 0.0 . . . . ?
C44B C45B C50B C49B 180.0 . . . . ?
C46B C45B C50B C49B 0.0 . . . . ?
O6 C15 C16B F18B -22(2) . . . . ?
C14 C15 C16B F18B 164.4(17) . . . . ?
O6 C15 C16B F16B 99.2(19) . . . . ?
C14 C15 C16B F16B -75(2) . . . . ?
O6 C15 C16B F17B -142.5(17) . . . . ?
C14 C15 C16B F17B 44(2) . . . . ?
O3 C7 C6B F7B -22(3) . . . . ?
C8 C7 C6B F7B 149(2) . . . . ?
O3 C7 C6B F9B -146(2) . . . . ?
C8 C7 C6B F9B 25(3) . . . . ?
O3 C7 C6B F8B 97(2) . . . . ?
C8 C7 C6B F8B -92(3) . . . . ?

#------------------------------------------------------------------------------#
#                                EMBEDDED FILES                                #
#------------------------------------------------------------------------------#
#                                                                              #

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................



# ............... End of .RES file ........................................... #
#------------------------------------------------------------------------------#

#...............................................................................
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file ........................................... #
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#===END OF CIF FILE FOR CAM2X63                                                #
#------------------------------------------------------------------------------#
#                                                                              #
################################################################################
