# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_rr
_database_code_depnum_ccdc_archive 'CCDC 2071279'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-03-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H20 Cl8 F4 O4 Sb2'
_chemical_formula_sum            'C42 H20 Cl8 F4 O4 Sb2'
_chemical_formula_weight         1191.68
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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                   11.179(3)
_cell_length_b                   18.388(4)
_cell_length_c                   19.517(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4012.3(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.021
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.726
_shelx_estimated_absorpt_T_min   0.674
_exptl_absorpt_coefficient_mu    1.944
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0694 before and 0.0342 after correction.
The Ratio of minimum to maximum transmission is 0.8463.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.213
_exptl_crystal_size_min          0.176
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0123
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39719
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_min         2.087
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             1.6
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3695
_reflns_number_total             3956
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3956
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0272
_refine_ls_restrained_S_all      1.148
_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)+(0.0205P)²+14.4601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0676
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Sb1 Sb 0.58192(2) 0.16519(2) 0.83581(2) 0.01337(7) Uani 1 1 d . . . . .
Cl1 Cl 0.57973(8) 0.43599(5) 0.86286(5) 0.02725(19) Uani 1 1 d . . . . .
Cl2 Cl 0.68436(9) 0.51510(4) 0.73294(5) 0.0330(2) Uani 1 1 d . . . . .
Cl3 Cl 0.78848(9) 0.42341(5) 0.61272(5) 0.0331(2) Uani 1 1 d . . . . .
Cl4 Cl 0.76795(8) 0.25446(5) 0.61616(4) 0.02604(19) Uani 1 1 d . . . . .
F1 F 0.60713(18) 0.00116(10) 0.87421(10) 0.0229(4) Uani 1 1 d . . . . .
F2 F 0.55368(19) -0.12567(10) 0.81161(10) 0.0256(4) Uani 1 1 d . . . . .
O1 O 0.5698(2) 0.27517(12) 0.84615(11) 0.0190(5) Uani 1 1 d . . . . .
O2 O 0.6300(2) 0.19952(11) 0.73773(11) 0.0172(5) Uani 1 1 d . . . . .
C1 C 0.5280(3) 0.06895(16) 0.78224(15) 0.0141(6) Uani 1 1 d . . . . .
C2 C 0.5538(3) 0.00300(18) 0.81248(16) 0.0170(6) Uani 1 1 d . . . . .
C3 C 0.5272(3) -0.06239(17) 0.78158(17) 0.0186(7) Uani 1 1 d . . . . .
C4 C 0.7583(3) 0.14798(18) 0.86996(16) 0.0179(6) Uani 1 1 d . . . . .
C5 C 0.7780(3) 0.1231(2) 0.93622(18) 0.0241(7) Uani 1 1 d . . . . .
H5 H 0.7124 0.1149 0.9662 0.029 Uiso 1 1 calc R U . . .
C6 C 0.8949(3) 0.1100(2) 0.9584(2) 0.0288(8) Uani 1 1 d . . . . .
H6 H 0.9086 0.0931 1.0037 0.035 Uiso 1 1 calc R U . . .
C7 C 0.9893(3) 0.1213(2) 0.9156(2) 0.0302(8) Uani 1 1 d . . . . .
H7 H 1.0684 0.1119 0.9310 0.036 Uiso 1 1 calc R U . . .
C8 C 0.9699(3) 0.1465(2) 0.8500(2) 0.0311(9) Uani 1 1 d . . . . .
H8 H 1.0359 0.1539 0.8201 0.037 Uiso 1 1 calc R U . . .
C9 C 0.8545(3) 0.1609(2) 0.82726(18) 0.0236(7) Uani 1 1 d . . . . .
H9 H 0.8419 0.1797 0.7825 0.028 Uiso 1 1 calc R U . . .
C10 C 0.4726(3) 0.15588(17) 0.92334(16) 0.0164(6) Uani 1 1 d . . . . .
C11 C 0.4900(3) 0.20232(19) 0.97803(17) 0.0216(7) Uani 1 1 d . . . . .
H11 H 0.5495 0.2391 0.9759 0.026 Uiso 1 1 calc R U . . .
C12 C 0.4198(3) 0.1947(2) 1.03589(18) 0.0263(8) Uani 1 1 d . . . . .
H12 H 0.4322 0.2261 1.0739 0.032 Uiso 1 1 calc R U . . .
C13 C 0.3321(3) 0.1421(2) 1.03912(18) 0.0254(8) Uani 1 1 d . . . . .
H13 H 0.2831 0.1382 1.0787 0.030 Uiso 1 1 calc R U . . .
C14 C 0.3156(3) 0.09503(18) 0.98457(18) 0.0222(7) Uani 1 1 d . . . . .
H14 H 0.2567 0.0579 0.9872 0.027 Uiso 1 1 calc R U . . .
C15 C 0.3853(3) 0.10207(18) 0.92614(17) 0.0196(7) Uani 1 1 d . . . . .
H15 H 0.3735 0.0704 0.8883 0.024 Uiso 1 1 calc R U . . .
C16 C 0.6198(3) 0.31164(17) 0.79422(17) 0.0171(6) Uani 1 1 d . . . . .
C17 C 0.6318(3) 0.38706(18) 0.79384(18) 0.0207(7) Uani 1 1 d . . . . .
C18 C 0.6806(3) 0.42187(17) 0.73690(19) 0.0239(8) Uani 1 1 d . . . . .
C19 C 0.7240(3) 0.38116(19) 0.68207(18) 0.0228(7) Uani 1 1 d . . . . .
C20 C 0.7135(3) 0.30536(18) 0.68272(17) 0.0204(7) Uani 1 1 d . . . . .
C21 C 0.6558(3) 0.27178(17) 0.73681(17) 0.0173(6) Uani 1 1 d . . . . .


_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
Sb1 O1 2.037(2) . ?
Sb1 O2 2.086(2) . ?
Sb1 C1 2.142(3) . ?
Sb1 C4 2.105(3) . ?
Sb1 C10 2.108(3) . ?
Cl1 C17 1.721(4) . ?
Cl2 C18 1.717(3) . ?
Cl3 C19 1.719(4) . ?
Cl4 C20 1.713(4) . ?
F1 C2 1.345(4) . ?
F2 C3 1.336(4) . ?
O1 C16 1.338(4) . ?
O2 C21 1.360(4) . ?
C1 C1 1.406(6) 3_656 ?
C1 C2 1.379(4) . ?
C2 C3 1.378(5) . ?
C3 C3 1.374(7) 3_656 ?
C4 C5 1.389(5) . ?
C4 C9 1.382(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.362(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.379(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(5) . ?
C10 C15 1.390(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.378(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(4) . ?
C16 C21 1.398(5) . ?
C17 C18 1.394(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.399(5) . ?
C20 C21 1.383(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sb1 O2 78.91(9) . . ?
O1 Sb1 C1 148.20(11) . . ?
O1 Sb1 C4 100.38(11) . . ?
O1 Sb1 C10 87.81(11) . . ?
O2 Sb1 C1 82.80(10) . . ?
O2 Sb1 C4 95.43(11) . . ?
O2 Sb1 C10 156.62(11) . . ?
C4 Sb1 C1 107.09(12) . . ?
C4 Sb1 C10 105.92(12) . . ?
C10 Sb1 C1 99.51(12) . . ?
C16 O1 Sb1 113.26(19) . . ?
C21 O2 Sb1 111.25(19) . . ?
C1 C1 Sb1 124.22(8) 3_656 . ?
C2 C1 Sb1 117.3(2) . . ?
C2 C1 C1 118.43(18) . 3_656 ?
F1 C2 C1 119.9(3) . . ?
F1 C2 C3 117.8(3) . . ?
C3 C2 C1 122.4(3) . . ?
F2 C3 C2 121.3(3) . . ?
F2 C3 C3 119.44(17) . 3_656 ?
C3 C3 C2 119.21(19) 3_656 . ?
C5 C4 Sb1 119.5(2) . . ?
C9 C4 Sb1 120.8(2) . . ?
C9 C4 C5 119.7(3) . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.5(3) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.6(3) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 119.9(3) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.4(4) . . ?
C9 C8 H8 119.8 . . ?
C4 C9 C8 119.8(3) . . ?
C4 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 Sb1 119.6(2) . . ?
C11 C10 C15 120.6(3) . . ?
C15 C10 Sb1 119.8(2) . . ?
C10 C11 H11 120.4 . . ?
C10 C11 C12 119.3(3) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.8(3) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.9(3) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 119.9(3) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 120.2 . . ?
C14 C15 C10 119.5(3) . . ?
C14 C15 H15 120.2 . . ?
O1 C16 C17 122.9(3) . . ?
O1 C16 C21 117.7(3) . . ?
C17 C16 C21 119.3(3) . . ?
C16 C17 Cl1 118.9(3) . . ?
C16 C17 C18 119.9(3) . . ?
C18 C17 Cl1 121.1(3) . . ?
C17 C18 Cl2 120.3(3) . . ?
C19 C18 Cl2 119.6(3) . . ?
C19 C18 C17 120.1(3) . . ?
C18 C19 Cl3 120.5(3) . . ?
C18 C19 C20 119.9(3) . . ?
C20 C19 Cl3 119.5(3) . . ?
C19 C20 Cl4 120.5(3) . . ?
C21 C20 Cl4 120.1(3) . . ?
C21 C20 C19 119.4(3) . . ?
O2 C21 C16 116.2(3) . . ?
O2 C21 C20 123.0(3) . . ?
C20 C21 C16 120.8(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_i
_database_code_depnum_ccdc_archive 'CCDC 2071284'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-03-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            none
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C32 H15 F8 O2 Sb'
_chemical_formula_sum            'C32 H15 F8 O2 Sb'
_chemical_formula_weight         705.19
_chemical_melting_point          none
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8626(12)
_cell_length_b                   11.4164(15)
_cell_length_c                   12.8227(17)
_cell_angle_alpha                96.740(2)
_cell_angle_beta                 92.201(2)
_cell_angle_gamma                91.203(2)
_cell_volume                     1287.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.63
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   0.866
_shelx_estimated_absorpt_T_min   0.804
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_T_max  0.6292
_exptl_absorpt_correction_T_min  0.3617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             692
_exptl_crystal_preparation       
'Upon standing of a mixture of octafluorophenanthra-9,10-quinone and Ph3Sb in Et2O'
_exptl_crystal_size_max          0.196
_exptl_crystal_size_mid          0.168
_exptl_crystal_size_min          0.128
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15233
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.500
_diffrn_reflns_theta_min         1.600
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5936
_reflns_number_total             6382
_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. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.924
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6382
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      1.057
_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)+(0.0276P)²+0.8030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0571
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Sb1 Sb 0.63059(2) 0.28951(2) 0.17233(2) 0.01412(4) Uani 1 1 d . . . . .
F1 F 0.43607(14) 0.14452(9) 0.46004(9) 0.0247(2) Uani 1 1 d . . . . .
F2 F 0.30669(15) 0.14528(10) 0.64413(9) 0.0289(3) Uani 1 1 d . . . . .
F3 F 0.17495(14) 0.34228(11) 0.73426(9) 0.0280(3) Uani 1 1 d . . . . .
F4 F 0.17344(13) 0.53672(10) 0.64466(9) 0.0241(2) Uani 1 1 d . . . . .
F5 F 0.06650(13) 0.63939(11) 0.51331(9) 0.0252(2) Uani 1 1 d . . . . .
F6 F 0.09164(15) 0.82944(11) 0.41725(10) 0.0319(3) Uani 1 1 d . . . . .
F7 F 0.30419(15) 0.84984(10) 0.27326(10) 0.0302(3) Uani 1 1 d . . . . .
F8 F 0.48035(13) 0.66838(10) 0.21526(9) 0.0228(2) Uani 1 1 d . . . . .
O1 O 0.52518(15) 0.25698(11) 0.30940(10) 0.0179(3) Uani 1 1 d . . . . .
O2 O 0.54580(15) 0.44892(11) 0.21975(10) 0.0167(2) Uani 1 1 d . . . . .
C1 C 0.8207(2) 0.20852(15) 0.23676(14) 0.0166(3) Uani 1 1 d . . . . .
C2 C 0.9651(2) 0.25190(16) 0.22103(15) 0.0207(4) Uani 1 1 d . . . . .
H2 H 0.9781 0.3155 0.1804 0.025 Uiso 1 1 calc R U . . .
C3 C 1.0905(2) 0.20163(18) 0.26519(17) 0.0263(4) Uani 1 1 d . . . . .
H3 H 1.1890 0.2319 0.2555 0.032 Uiso 1 1 calc R U . . .
C4 C 1.0722(2) 0.10769(19) 0.32324(18) 0.0285(4) Uani 1 1 d . . . . .
H4 H 1.1580 0.0726 0.3521 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9279(2) 0.06490(17) 0.33922(17) 0.0261(4) Uani 1 1 d . . . . .
H5 H 0.9156 0.0006 0.3792 0.031 Uiso 1 1 calc R U . . .
C6 C 0.8016(2) 0.11537(16) 0.29724(16) 0.0214(4) Uani 1 1 d . . . . .
H6 H 0.7031 0.0869 0.3095 0.026 Uiso 1 1 calc R U . . .
C7 C 0.7375(2) 0.36960(16) 0.04987(14) 0.0175(3) Uani 1 1 d . . . . .
C8 C 0.8317(2) 0.29739(16) -0.01274(15) 0.0202(4) Uani 1 1 d . . . . .
H8 H 0.8478 0.2189 0.0021 0.024 Uiso 1 1 calc R U . . .
C9 C 0.9023(2) 0.33890(17) -0.09659(15) 0.0215(4) Uani 1 1 d . . . . .
H9 H 0.9666 0.2892 -0.1386 0.026 Uiso 1 1 calc R U . . .
C10 C 0.8784(2) 0.45358(17) -0.11871(14) 0.0207(4) Uani 1 1 d . . . . .
H10 H 0.9261 0.4823 -0.1761 0.025 Uiso 1 1 calc R U . . .
C11 C 0.7848(2) 0.52592(17) -0.05693(15) 0.0212(4) Uani 1 1 d . . . . .
H11 H 0.7686 0.6042 -0.0723 0.025 Uiso 1 1 calc R U . . .
C12 C 0.7140(2) 0.48491(16) 0.02768(15) 0.0186(4) Uani 1 1 d . . . . .
H12 H 0.6503 0.5350 0.0698 0.022 Uiso 1 1 calc R U . . .
C13 C 0.4660(2) 0.17917(15) 0.08331(14) 0.0162(3) Uani 1 1 d . . . . .
C14 C 0.4257(2) 0.20215(17) -0.01829(15) 0.0216(4) Uani 1 1 d . . . . .
H14 H 0.4793 0.2614 -0.0491 0.026 Uiso 1 1 calc R U . . .
C15 C 0.3074(2) 0.13885(18) -0.07486(16) 0.0253(4) Uani 1 1 d . . . . .
H15 H 0.2796 0.1554 -0.1438 0.030 Uiso 1 1 calc R U . . .
C16 C 0.2301(2) 0.05133(18) -0.03018(16) 0.0250(4) Uani 1 1 d . . . . .
H16 H 0.1484 0.0085 -0.0682 0.030 Uiso 1 1 calc R U . . .
C17 C 0.2726(3) 0.02661(18) 0.07029(16) 0.0279(4) Uani 1 1 d . . . . .
H17 H 0.2209 -0.0343 0.1001 0.033 Uiso 1 1 calc R U . . .
C18 C 0.3898(2) 0.08996(16) 0.12752(15) 0.0217(4) Uani 1 1 d . . . . .
H18 H 0.4180 0.0728 0.1962 0.026 Uiso 1 1 calc R U . . .
C19 C 0.3672(2) 0.24305(15) 0.49869(14) 0.0170(3) Uani 1 1 d . . . . .
C20 C 0.3004(2) 0.24154(16) 0.59284(15) 0.0198(4) Uani 1 1 d . . . . .
C21 C 0.2329(2) 0.34183(17) 0.63874(14) 0.0201(4) Uani 1 1 d . . . . .
C22 C 0.2292(2) 0.44156(16) 0.58840(14) 0.0175(3) Uani 1 1 d . . . . .
C23 C 0.1821(2) 0.64363(17) 0.44884(15) 0.0189(4) Uani 1 1 d . . . . .
C24 C 0.1903(2) 0.74263(17) 0.39763(16) 0.0222(4) Uani 1 1 d . . . . .
C25 C 0.2959(2) 0.75164(16) 0.32157(15) 0.0213(4) Uani 1 1 d . . . . .
C26 C 0.3847(2) 0.65787(15) 0.29307(14) 0.0169(3) Uani 1 1 d . . . . .
C27 C 0.44845(19) 0.34887(15) 0.35144(13) 0.0139(3) Uani 1 1 d . . . . .
C28 C 0.45805(19) 0.45106(15) 0.30460(13) 0.0141(3) Uani 1 1 d . . . . .
C29 C 0.37726(19) 0.55328(15) 0.34190(13) 0.0142(3) Uani 1 1 d . . . . .
C30 C 0.28131(19) 0.54894(15) 0.42929(13) 0.0146(3) Uani 1 1 d . . . . .
C31 C 0.28725(19) 0.44631(15) 0.48769(13) 0.0142(3) Uani 1 1 d . . . . .
C32 C 0.36625(19) 0.34463(15) 0.44513(13) 0.0140(3) Uani 1 1 d . . . . .


_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
Sb1 O1 2.0892(12) . ?
Sb1 O2 2.0197(12) . ?
Sb1 C1 2.1246(18) . ?
Sb1 C7 2.1481(17) . ?
Sb1 C13 2.1153(18) . ?
F1 C19 1.344(2) . ?
F2 C20 1.346(2) . ?
F3 C21 1.346(2) . ?
F4 C22 1.345(2) . ?
F5 C23 1.344(2) . ?
F6 C24 1.343(2) . ?
F7 C25 1.345(2) . ?
F8 C26 1.348(2) . ?
O1 C27 1.334(2) . ?
O2 C28 1.360(2) . ?
C1 C2 1.393(3) . ?
C1 C6 1.399(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.390(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C12 1.397(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.396(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(3) . ?
C13 C18 1.397(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.391(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.391(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.366(2) . ?
C19 C32 1.416(2) . ?
C20 C21 1.383(3) . ?
C21 C22 1.374(3) . ?
C22 C31 1.415(2) . ?
C23 C24 1.374(3) . ?
C23 C30 1.414(2) . ?
C24 C25 1.388(3) . ?
C25 C26 1.366(3) . ?
C26 C29 1.413(2) . ?
C27 C28 1.376(2) . ?
C27 C32 1.434(2) . ?
C28 C29 1.426(2) . ?
C29 C30 1.437(2) . ?
C30 C31 1.464(2) . ?
C31 C32 1.432(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sb1 C1 85.36(6) . . ?
O1 Sb1 C7 165.09(6) . . ?
O1 Sb1 C13 89.28(6) . . ?
O2 Sb1 O1 78.40(5) . . ?
O2 Sb1 C1 128.16(6) . . ?
O2 Sb1 C7 87.65(6) . . ?
O2 Sb1 C13 110.84(6) . . ?
C1 Sb1 C7 99.43(7) . . ?
C13 Sb1 C1 117.88(7) . . ?
C13 Sb1 C7 100.71(7) . . ?
C27 O1 Sb1 112.82(10) . . ?
C28 O2 Sb1 114.44(10) . . ?
C2 C1 Sb1 119.16(13) . . ?
C2 C1 C6 120.16(17) . . ?
C6 C1 Sb1 120.64(13) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.73(18) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.27(19) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.89(19) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.55(19) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.3 . . ?
C5 C6 C1 119.37(18) . . ?
C5 C6 H6 120.3 . . ?
C8 C7 Sb1 115.97(13) . . ?
C8 C7 C12 119.45(16) . . ?
C12 C7 Sb1 124.53(13) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.77(17) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.2 . . ?
C8 C9 C10 119.67(18) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 119.92(17) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.69(17) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 H12 120.3 . . ?
C11 C12 C7 119.49(17) . . ?
C11 C12 H12 120.3 . . ?
C14 C13 Sb1 119.03(13) . . ?
C14 C13 C18 119.80(17) . . ?
C18 C13 Sb1 120.99(14) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.37(18) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.79(19) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.81(19) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.74(19) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.47(18) . . ?
C17 C18 H18 120.3 . . ?
F1 C19 C20 117.07(16) . . ?
F1 C19 C32 121.41(16) . . ?
C20 C19 C32 121.51(17) . . ?
F2 C20 C19 120.57(17) . . ?
F2 C20 C21 119.55(16) . . ?
C19 C20 C21 119.79(16) . . ?
F3 C21 C20 119.67(16) . . ?
F3 C21 C22 120.20(17) . . ?
C22 C21 C20 120.10(16) . . ?
F4 C22 C21 114.79(16) . . ?
F4 C22 C31 122.28(16) . . ?
C21 C22 C31 122.83(17) . . ?
F5 C23 C24 115.31(16) . . ?
F5 C23 C30 122.19(16) . . ?
C24 C23 C30 122.34(17) . . ?
F6 C24 C23 120.27(18) . . ?
F6 C24 C25 119.23(17) . . ?
C23 C24 C25 120.43(17) . . ?
F7 C25 C24 119.76(17) . . ?
F7 C25 C26 120.88(18) . . ?
C26 C25 C24 119.27(17) . . ?
F8 C26 C25 117.23(16) . . ?
F8 C26 C29 120.75(15) . . ?
C25 C26 C29 122.02(17) . . ?
O1 C27 C28 117.23(15) . . ?
O1 C27 C32 121.85(15) . . ?
C28 C27 C32 120.82(16) . . ?
O2 C28 C27 116.71(15) . . ?
O2 C28 C29 121.71(15) . . ?
C27 C28 C29 121.57(16) . . ?
C26 C29 C28 121.84(16) . . ?
C26 C29 C30 118.83(15) . . ?
C28 C29 C30 119.30(15) . . ?
C23 C30 C29 116.27(15) . . ?
C23 C30 C31 124.90(16) . . ?
C29 C30 C31 118.76(15) . . ?
C22 C31 C30 124.92(16) . . ?
C22 C31 C32 115.97(15) . . ?
C32 C31 C30 118.96(15) . . ?
C19 C32 C27 120.96(16) . . ?
C19 C32 C31 119.40(16) . . ?
C31 C32 C27 119.59(15) . . ?

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
Sb1 O1 C27 C28 -4.35(19) . . . . ?
Sb1 O1 C27 C32 179.24(13) . . . . ?
Sb1 O2 C28 C27 5.00(19) . . . . ?
Sb1 O2 C28 C29 -173.68(13) . . . . ?
Sb1 C1 C2 C3 178.30(14) . . . . ?
Sb1 C1 C6 C5 -179.37(15) . . . . ?
Sb1 C7 C8 C9 177.70(15) . . . . ?
Sb1 C7 C12 C11 -177.22(14) . . . . ?
Sb1 C13 C14 C15 -173.53(15) . . . . ?
Sb1 C13 C18 C17 173.90(15) . . . . ?
F1 C19 C20 F2 1.0(3) . . . . ?
F1 C19 C20 C21 177.41(17) . . . . ?
F1 C19 C32 C27 -4.6(3) . . . . ?
F1 C19 C32 C31 178.03(15) . . . . ?
F2 C20 C21 F3 0.3(3) . . . . ?
F2 C20 C21 C22 178.35(17) . . . . ?
F3 C21 C22 F4 4.0(3) . . . . ?
F3 C21 C22 C31 -179.54(16) . . . . ?
F4 C22 C31 C30 -6.0(3) . . . . ?
F4 C22 C31 C32 169.49(16) . . . . ?
F5 C23 C24 F6 3.2(3) . . . . ?
F5 C23 C24 C25 -173.79(17) . . . . ?
F5 C23 C30 C29 166.30(16) . . . . ?
F5 C23 C30 C31 -10.6(3) . . . . ?
F6 C24 C25 F7 4.0(3) . . . . ?
F6 C24 C25 C26 -172.60(18) . . . . ?
F7 C25 C26 F8 0.2(3) . . . . ?
F7 C25 C26 C29 -179.42(17) . . . . ?
F8 C26 C29 C28 -6.4(3) . . . . ?
F8 C26 C29 C30 175.78(15) . . . . ?
O1 C27 C28 O2 -0.3(2) . . . . ?
O1 C27 C28 C29 178.39(15) . . . . ?
O1 C27 C32 C19 1.9(3) . . . . ?
O1 C27 C32 C31 179.25(16) . . . . ?
O2 C28 C29 C26 -0.3(3) . . . . ?
O2 C28 C29 C30 177.46(15) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C2 C1 C6 C5 -1.5(3) . . . . ?
C2 C3 C4 C5 -1.3(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C4 C5 C6 C1 1.2(3) . . . . ?
C6 C1 C2 C3 0.4(3) . . . . ?
C7 C8 C9 C10 -0.3(3) . . . . ?
C8 C7 C12 C11 0.2(3) . . . . ?
C8 C9 C10 C11 0.2(3) . . . . ?
C9 C10 C11 C12 0.1(3) . . . . ?
C10 C11 C12 C7 -0.2(3) . . . . ?
C12 C7 C8 C9 0.1(3) . . . . ?
C13 C14 C15 C16 -0.7(3) . . . . ?
C14 C13 C18 C17 -1.2(3) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C15 C16 C17 C18 1.3(3) . . . . ?
C16 C17 C18 C13 -0.3(3) . . . . ?
C18 C13 C14 C15 1.7(3) . . . . ?
C19 C20 C21 F3 -176.17(17) . . . . ?
C19 C20 C21 C22 1.9(3) . . . . ?
C20 C19 C32 C27 174.19(17) . . . . ?
C20 C19 C32 C31 -3.2(3) . . . . ?
C20 C21 C22 F4 -174.09(17) . . . . ?
C20 C21 C22 C31 2.4(3) . . . . ?
C21 C22 C31 C30 177.80(17) . . . . ?
C21 C22 C31 C32 -6.7(3) . . . . ?
C22 C31 C32 C19 7.0(2) . . . . ?
C22 C31 C32 C27 -170.44(16) . . . . ?
C23 C24 C25 F7 -178.98(18) . . . . ?
C23 C24 C25 C26 4.4(3) . . . . ?
C23 C30 C31 C22 -19.2(3) . . . . ?
C23 C30 C31 C32 165.44(17) . . . . ?
C24 C23 C30 C29 -8.9(3) . . . . ?
C24 C23 C30 C31 174.20(18) . . . . ?
C24 C25 C26 F8 176.77(17) . . . . ?
C24 C25 C26 C29 -2.8(3) . . . . ?
C25 C26 C29 C28 173.16(17) . . . . ?
C25 C26 C29 C30 -4.6(3) . . . . ?
C26 C29 C30 C23 10.1(2) . . . . ?
C26 C29 C30 C31 -172.78(16) . . . . ?
C27 C28 C29 C26 -178.95(17) . . . . ?
C27 C28 C29 C30 -1.2(3) . . . . ?
C28 C27 C32 C19 -174.38(17) . . . . ?
C28 C27 C32 C31 3.0(2) . . . . ?
C28 C29 C30 C23 -167.72(16) . . . . ?
C28 C29 C30 C31 9.4(2) . . . . ?
C29 C30 C31 C22 163.97(17) . . . . ?
C29 C30 C31 C32 -11.4(2) . . . . ?
C30 C23 C24 F6 178.68(17) . . . . ?
C30 C23 C24 C25 1.7(3) . . . . ?
C30 C31 C32 C19 -177.29(16) . . . . ?
C30 C31 C32 C27 5.3(2) . . . . ?
C32 C19 C20 F2 -177.86(16) . . . . ?
C32 C19 C20 C21 -1.5(3) . . . . ?
C32 C27 C28 O2 176.16(15) . . . . ?
C32 C27 C28 C29 -5.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dyc7_0m-auto
_database_code_depnum_ccdc_archive 'CCDC 2071282'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-02-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H20 F21 O4 Sb2, C16 H36 N'
_chemical_formula_sum            'C74 H56 F21 N O4 Sb2'
_chemical_formula_weight         1665.69
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.576
_cell_length_b                   13.045
_cell_length_c                   24.513
_cell_angle_alpha                90
_cell_angle_beta                 105.31
_cell_angle_gamma                90
_cell_volume                     6654.6
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9575
_cell_measurement_temperature    110
_cell_measurement_theta_max      24.761
_cell_measurement_theta_min      2.325
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.813
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1496 before and 0.0519 after correction.
The Ratio of minimum to maximum transmission is 0.9044.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3320
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.123
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            114923
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.796
_diffrn_reflns_theta_max         24.796
_diffrn_reflns_theta_min         2.474
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9786
_reflns_number_total             11421
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.312
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     923
_refine_ls_number_reflns         11421
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0223
_refine_ls_restrained_S_all      1.039
_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)+(0.0160P)²+6.9789P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0486
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C59(H59A,H59B), C60(H60A,H60B), C61(H61A,H61B), C63(H63A,H63B), C64(H64A,
 H64B), C65(H65A,H65B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,H69B),
 C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26),
  C27(H27), C28(H28), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C62(H62A,H62B,H62C), C66(H66A,H66B,H66C), C70(H70A,H70B,H70C), C74(H74A,H74B,
 H74C)
;
_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
Sb1 Sb 0.24442(2) 0.45657(2) 0.22540(2) 0.01038(4) Uani 1 1 d . . . . .
Sb2 Sb 0.18372(2) 0.53858(2) 0.06938(2) 0.01095(4) Uani 1 1 d . . . . .
F1 F 0.06135(6) 0.39434(10) 0.02229(5) 0.0214(3) Uani 1 1 d . . . . .
F2 F 0.01975(6) 0.21936(10) 0.05582(5) 0.0223(3) Uani 1 1 d . . . . .
F3 F 0.07827(6) 0.13915(9) 0.15868(5) 0.0229(3) Uani 1 1 d . . . . .
F4 F 0.17947(6) 0.23272(9) 0.22633(5) 0.0208(3) Uani 1 1 d . . . . .
F5 F 0.37517(6) 0.73423(9) 0.27260(6) 0.0258(3) Uani 1 1 d . . . . .
F6 F 0.40439(6) 0.92416(10) 0.24935(6) 0.0320(3) Uani 1 1 d . . . . .
F7 F 0.31120(7) 1.06035(10) 0.20213(6) 0.0300(3) Uani 1 1 d . . . . .
F8 F 0.18841(6) 1.01264(9) 0.18652(5) 0.0232(3) Uani 1 1 d . . . . .
F9 F 0.11497(6) 0.99344(9) 0.24476(6) 0.0245(3) Uani 1 1 d . . . . .
F10 F -0.00653(6) 0.93706(10) 0.23225(6) 0.0302(3) Uani 1 1 d . . . . .
F11 F -0.04186(6) 0.73891(11) 0.21662(6) 0.0317(3) Uani 1 1 d . . . . .
F12 F 0.04582(6) 0.59377(10) 0.21755(6) 0.0237(3) Uani 1 1 d . . . . .
F13 F 0.31977(6) 0.27542(10) 0.05046(6) 0.0259(3) Uani 1 1 d . . . . .
F14 F 0.42342(7) 0.19032(11) 0.02988(6) 0.0354(4) Uani 1 1 d . . . . .
F15 F 0.52881(7) 0.30572(12) 0.03130(7) 0.0373(4) Uani 1 1 d . . . . .
F16 F 0.53283(6) 0.50143(11) 0.05783(6) 0.0297(3) Uani 1 1 d . . . . .
F17 F 0.54496(6) 0.61276(11) 0.13683(6) 0.0324(3) Uani 1 1 d . . . . .
F18 F 0.54096(6) 0.81056(11) 0.15695(6) 0.0349(4) Uani 1 1 d . . . . .
F19 F 0.42681(7) 0.90918(11) 0.14194(6) 0.0336(4) Uani 1 1 d . . . . .
F20 F 0.31721(6) 0.80528(9) 0.11148(5) 0.0213(3) Uani 1 1 d . . . . .
F21 F 0.23899(5) 0.55472(9) 0.15473(5) 0.0132(3) Uani 1 1 d . . . . .
O1 O 0.16531(6) 0.54071(10) 0.22995(6) 0.0135(3) Uani 1 1 d . . . . .
O2 O 0.28618(6) 0.59016(10) 0.26323(6) 0.0126(3) Uani 1 1 d . . . . .
O3 O 0.25796(6) 0.44093(11) 0.06664(6) 0.0141(3) Uani 1 1 d . . . . .
O4 O 0.25424(6) 0.64148(11) 0.06449(6) 0.0141(3) Uani 1 1 d . . . . .
N1 N 0.27609(8) 0.63605(14) 0.44186(7) 0.0162(4) Uani 1 1 d . . . . .
C1 C 0.17486(9) 0.36939(16) 0.16119(9) 0.0118(4) Uani 1 1 d . . . . .
C2 C 0.14556(10) 0.40947(16) 0.10693(9) 0.0125(4) Uani 1 1 d . . . . .
C3 C 0.09345(10) 0.35791(16) 0.07386(9) 0.0143(5) Uani 1 1 d . . . . .
C4 C 0.07015(10) 0.26767(17) 0.09033(9) 0.0158(5) Uani 1 1 d . . . . .
C5 C 0.09955(10) 0.22725(16) 0.14205(9) 0.0150(5) Uani 1 1 d . . . . .
C6 C 0.15173(10) 0.27825(16) 0.17636(9) 0.0139(5) Uani 1 1 d . . . . .
C7 C 0.24680(10) 0.38124(15) 0.30322(9) 0.0131(4) Uani 1 1 d . . . . .
C8 C 0.30372(11) 0.33585(16) 0.33341(9) 0.0173(5) Uani 1 1 d . . . . .
H8 H 0.339781 0.338421 0.319428 0.021 Uiso 1 1 calc R U . . .
C9 C 0.30719(12) 0.28649(17) 0.38450(10) 0.0217(5) Uani 1 1 d . . . . .
H9 H 0.345606 0.257097 0.404872 0.026 Uiso 1 1 calc R U . . .
C10 C 0.25343(12) 0.28141(17) 0.40474(10) 0.0250(6) Uani 1 1 d . . . . .
H10 H 0.255571 0.247867 0.438668 0.030 Uiso 1 1 calc R U . . .
C11 C 0.19625(12) 0.32591(17) 0.37489(10) 0.0234(5) Uani 1 1 d . . . . .
H11 H 0.160120 0.321995 0.388723 0.028 Uiso 1 1 calc R U . . .
C12 C 0.19285(11) 0.37640(16) 0.32427(9) 0.0179(5) Uani 1 1 d . . . . .
H12 H 0.154582 0.406970 0.304452 0.022 Uiso 1 1 calc R U . . .
C13 C 0.33380(10) 0.40641(16) 0.21315(9) 0.0137(5) Uani 1 1 d . . . . .
C14 C 0.34033(10) 0.30380(17) 0.20031(9) 0.0190(5) Uani 1 1 d . . . . .
H14 H 0.305287 0.259858 0.194879 0.023 Uiso 1 1 calc R U . . .
C15 C 0.39909(11) 0.26672(18) 0.19556(10) 0.0228(5) Uani 1 1 d . . . . .
H15 H 0.403376 0.197998 0.187151 0.027 Uiso 1 1 calc R U . . .
C16 C 0.45112(11) 0.33198(18) 0.20335(10) 0.0221(5) Uani 1 1 d . . . . .
H16 H 0.490494 0.307016 0.200450 0.026 Uiso 1 1 calc R U . . .
C17 C 0.44475(11) 0.43450(18) 0.21546(9) 0.0196(5) Uani 1 1 d . . . . .
H17 H 0.479811 0.478307 0.220452 0.024 Uiso 1 1 calc R U . . .
C18 C 0.38619(10) 0.47212(17) 0.22017(9) 0.0161(5) Uani 1 1 d . . . . .
H18 H 0.381958 0.541132 0.228002 0.019 Uiso 1 1 calc R U . . .
C19 C 0.14397(10) 0.52084(16) -0.01995(9) 0.0131(5) Uani 1 1 d . . . . .
C20 C 0.17024(10) 0.45207(17) -0.05082(9) 0.0185(5) Uani 1 1 d . . . . .
H20 H 0.206803 0.415045 -0.032946 0.022 Uiso 1 1 calc R U . . .
C21 C 0.14235(11) 0.43819(18) -0.10814(10) 0.0232(5) Uani 1 1 d . . . . .
H21 H 0.160806 0.393006 -0.128665 0.028 Uiso 1 1 calc R U . . .
C22 C 0.08739(10) 0.49102(17) -0.13486(9) 0.0190(5) Uani 1 1 d . . . . .
H22 H 0.068043 0.480032 -0.173048 0.023 Uiso 1 1 calc R U . . .
C23 C 0.06120(10) 0.56032(17) -0.10466(9) 0.0187(5) Uani 1 1 d . . . . .
H23 H 0.024458 0.596715 -0.122764 0.022 Uiso 1 1 calc R U . . .
C24 C 0.08929(10) 0.57605(17) -0.04753(9) 0.0170(5) Uani 1 1 d . . . . .
H24 H 0.071662 0.623463 -0.027574 0.020 Uiso 1 1 calc R U . . .
C25 C 0.12502(10) 0.66195(16) 0.08333(8) 0.0134(5) Uani 1 1 d . . . . .
C26 C 0.06188(10) 0.64089(17) 0.08426(9) 0.0176(5) Uani 1 1 d . . . . .
H26 H 0.048158 0.573264 0.083982 0.021 Uiso 1 1 calc R U . . .
C27 C 0.01954(11) 0.72009(19) 0.08561(9) 0.0226(5) Uani 1 1 d . . . . .
H27 H -0.022455 0.705573 0.086272 0.027 Uiso 1 1 calc R U . . .
C28 C 0.03978(11) 0.82084(19) 0.08598(9) 0.0241(6) Uani 1 1 d . . . . .
H28 H 0.011216 0.874123 0.086216 0.029 Uiso 1 1 calc R U . . .
C29 C 0.10277(12) 0.84214(18) 0.08600(10) 0.0249(5) Uani 1 1 d . . . . .
H29 H 0.116536 0.909821 0.086863 0.030 Uiso 1 1 calc R U . . .
C30 C 0.14520(11) 0.76332(17) 0.08473(9) 0.0184(5) Uani 1 1 d . . . . .
H30 H 0.187387 0.778174 0.084814 0.022 Uiso 1 1 calc R U . . .
C31 C 0.32626(10) 0.80127(17) 0.25371(9) 0.0178(5) Uani 1 1 d . . . . .
C32 C 0.34263(11) 0.89765(17) 0.24152(10) 0.0204(5) Uani 1 1 d . . . . .
C33 C 0.29506(11) 0.96847(16) 0.21940(10) 0.0209(5) Uani 1 1 d . . . . .
C34 C 0.23219(11) 0.94390(16) 0.21373(9) 0.0180(5) Uani 1 1 d . . . . .
C35 C 0.10003(11) 0.89424(17) 0.23326(9) 0.0186(5) Uani 1 1 d . . . . .
C36 C 0.03784(11) 0.86637(18) 0.22875(9) 0.0205(5) Uani 1 1 d . . . . .
C37 C 0.01980(10) 0.76465(18) 0.22187(9) 0.0198(5) Uani 1 1 d . . . . .
C38 C 0.06500(10) 0.69172(17) 0.22194(9) 0.0174(5) Uani 1 1 d . . . . .
C39 C 0.17929(10) 0.64106(16) 0.23626(8) 0.0123(4) Uani 1 1 d . . . . .
C40 C 0.24308(10) 0.66757(16) 0.25174(8) 0.0127(4) Uani 1 1 d . . . . .
C41 C 0.26214(10) 0.77182(16) 0.24744(9) 0.0131(4) Uani 1 1 d . . . . .
C42 C 0.21348(10) 0.84870(16) 0.23126(9) 0.0144(5) Uani 1 1 d . . . . .
C43 C 0.14760(10) 0.82249(16) 0.22991(9) 0.0145(5) Uani 1 1 d . . . . .
C44 C 0.12986(10) 0.71701(16) 0.22805(8) 0.0136(5) Uani 1 1 d . . . . .
C45 C 0.37224(10) 0.33466(18) 0.05597(9) 0.0195(5) Uani 1 1 d . . . . .
C46 C 0.42482(11) 0.28965(18) 0.04524(10) 0.0246(6) Uani 1 1 d . . . . .
C47 C 0.47903(11) 0.3476(2) 0.04757(10) 0.0255(6) Uani 1 1 d . . . . .
C48 C 0.48101(10) 0.44800(19) 0.06286(10) 0.0223(5) Uani 1 1 d . . . . .
C49 C 0.48694(10) 0.65852(19) 0.12124(10) 0.0225(5) Uani 1 1 d . . . . .
C50 C 0.48584(11) 0.7596(2) 0.13457(10) 0.0253(6) Uani 1 1 d . . . . .
C51 C 0.42785(11) 0.80972(18) 0.12812(10) 0.0227(5) Uani 1 1 d . . . . .
C52 C 0.37189(10) 0.75609(17) 0.10995(9) 0.0175(5) Uani 1 1 d . . . . .
C53 C 0.31231(10) 0.59599(17) 0.07501(9) 0.0138(5) Uani 1 1 d . . . . .
C54 C 0.31375(10) 0.49085(17) 0.07234(9) 0.0143(5) Uani 1 1 d . . . . .
C55 C 0.37159(10) 0.43872(17) 0.07057(9) 0.0158(5) Uani 1 1 d . . . . .
C56 C 0.42949(10) 0.49691(18) 0.07779(9) 0.0174(5) Uani 1 1 d . . . . .
C57 C 0.43066(10) 0.60247(18) 0.09634(9) 0.0178(5) Uani 1 1 d . . . . .
C58 C 0.37069(10) 0.65292(17) 0.09262(9) 0.0150(5) Uani 1 1 d . . . . .
C59 C 0.32278(10) 0.57465(17) 0.41778(9) 0.0168(5) Uani 1 1 d . . . . .
H59A H 0.323404 0.604375 0.381659 0.020 Uiso 1 1 calc R U . . .
H59B H 0.306366 0.505350 0.410582 0.020 Uiso 1 1 calc R U . . .
C60 C 0.39169(11) 0.56881(19) 0.45455(10) 0.0231(5) Uani 1 1 d . . . . .
H60A H 0.392699 0.531253 0.488924 0.028 Uiso 1 1 calc R U . . .
H60B H 0.407651 0.637481 0.465083 0.028 Uiso 1 1 calc R U . . .
C61 C 0.43505(11) 0.51535(19) 0.42285(10) 0.0244(5) Uani 1 1 d . . . . .
H61A H 0.477276 0.505990 0.448671 0.029 Uiso 1 1 calc R U . . .
H61B H 0.417599 0.447891 0.411208 0.029 Uiso 1 1 calc R U . . .
C62 C 0.44239(12) 0.5729(2) 0.37108(10) 0.0281(6) Uani 1 1 d . . . . .
H62A H 0.402116 0.572843 0.342622 0.042 Uiso 1 1 calc R U . . .
H62B H 0.474476 0.539872 0.356550 0.042 Uiso 1 1 calc R U . . .
H62C H 0.455208 0.642210 0.381336 0.042 Uiso 1 1 calc R U . . .
C63 C 0.29681(11) 0.74725(17) 0.45225(9) 0.0188(5) Uani 1 1 d . . . . .
H63A H 0.266450 0.781576 0.469024 0.023 Uiso 1 1 calc R U . . .
H63B H 0.338286 0.748539 0.479929 0.023 Uiso 1 1 calc R U . . .
C64 C 0.30216(11) 0.80920(17) 0.40123(10) 0.0203(5) Uani 1 1 d . . . . .
H64A H 0.262512 0.804315 0.371368 0.024 Uiso 1 1 calc R U . . .
H64B H 0.336884 0.782850 0.386934 0.024 Uiso 1 1 calc R U . . .
C65 C 0.31524(11) 0.92022(17) 0.41946(10) 0.0223(5) Uani 1 1 d . . . . .
H65A H 0.281863 0.943731 0.436330 0.027 Uiso 1 1 calc R U . . .
H65B H 0.355899 0.924145 0.448137 0.027 Uiso 1 1 calc R U . . .
C66 C 0.31760(13) 0.99089(19) 0.37079(11) 0.0323(6) Uani 1 1 d . . . . .
H66A H 0.277494 0.987379 0.342215 0.049 Uiso 1 1 calc R U . . .
H66B H 0.351838 0.969950 0.354982 0.049 Uiso 1 1 calc R U . . .
H66C H 0.324973 1.059993 0.384426 0.049 Uiso 1 1 calc R U . . .
C67 C 0.27304(11) 0.59519(17) 0.49921(9) 0.0201(5) Uani 1 1 d . . . . .
H67A H 0.316474 0.592766 0.523612 0.024 Uiso 1 1 calc R U . . .
H67B H 0.249186 0.643938 0.515630 0.024 Uiso 1 1 calc R U . . .
C68 C 0.24302(12) 0.49069(19) 0.49986(10) 0.0249(5) Uani 1 1 d . . . . .
H68A H 0.265020 0.441079 0.482171 0.030 Uiso 1 1 calc R U . . .
H68B H 0.198297 0.492886 0.478383 0.030 Uiso 1 1 calc R U . . .
C69 C 0.24752(12) 0.45784(19) 0.56051(10) 0.0279(6) Uani 1 1 d . . . . .
H69A H 0.291673 0.439897 0.579130 0.033 Uiso 1 1 calc R U . . .
H69B H 0.235473 0.515012 0.580853 0.033 Uiso 1 1 calc R U . . .
C70 C 0.20441(13) 0.3670(2) 0.56313(12) 0.0345(6) Uani 1 1 d . . . . .
H70A H 0.215230 0.310874 0.542017 0.052 Uiso 1 1 calc R U . . .
H70B H 0.160344 0.385956 0.547212 0.052 Uiso 1 1 calc R U . . .
H70C H 0.210395 0.346621 0.601814 0.052 Uiso 1 1 calc R U . . .
C71 C 0.21108(10) 0.62829(17) 0.39907(9) 0.0174(5) Uani 1 1 d . . . . .
H71A H 0.198200 0.556827 0.395723 0.021 Uiso 1 1 calc R U . . .
H71B H 0.215850 0.649930 0.362544 0.021 Uiso 1 1 calc R U . . .
C72 C 0.15721(10) 0.69075(18) 0.41235(10) 0.0218(5) Uani 1 1 d . . . . .
H72A H 0.163309 0.762876 0.405656 0.026 Uiso 1 1 calc R U . . .
H72B H 0.158076 0.682240 0.451859 0.026 Uiso 1 1 calc R U . . .
C73 C 0.09223(11) 0.65501(19) 0.37487(10) 0.0255(6) Uani 1 1 d . . . . .
H73A H 0.060293 0.707289 0.374981 0.031 Uiso 1 1 calc R U . . .
H73B H 0.095499 0.647950 0.336336 0.031 Uiso 1 1 calc R U . . .
C74 C 0.06940(12) 0.55385(19) 0.39350(12) 0.0306(6) Uani 1 1 d . . . . .
H74A H 0.027370 0.538192 0.369919 0.046 Uiso 1 1 calc R U . . .
H74B H 0.067703 0.559181 0.432140 0.046 Uiso 1 1 calc R U . . .
H74C H 0.098727 0.500311 0.390210 0.046 Uiso 1 1 calc R U . . .


_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
Sb1 F21 2.1322(11) . ?
Sb1 O1 2.0571(14) . ?
Sb1 O2 2.0658(14) . ?
Sb1 C1 2.185(2) . ?
Sb1 C7 2.134(2) . ?
Sb1 C13 2.131(2) . ?
Sb2 F21 2.1275(11) . ?
Sb2 O3 2.0614(14) . ?
Sb2 O4 2.0561(14) . ?
Sb2 C2 2.182(2) . ?
Sb2 C19 2.143(2) . ?
Sb2 C25 2.131(2) . ?
F1 C3 1.357(2) . ?
F2 C4 1.345(2) . ?
F3 C5 1.340(2) . ?
F4 C6 1.351(2) . ?
F5 C31 1.354(2) . ?
F6 C32 1.340(3) . ?
F7 C33 1.347(2) . ?
F8 C34 1.345(2) . ?
F9 C35 1.345(3) . ?
F10 C36 1.348(2) . ?
F11 C37 1.345(3) . ?
F12 C38 1.339(3) . ?
F13 C45 1.348(3) . ?
F14 C46 1.347(3) . ?
F15 C47 1.356(3) . ?
F16 C48 1.351(3) . ?
F17 C49 1.348(3) . ?
F18 C50 1.347(3) . ?
F19 C51 1.343(3) . ?
F20 C52 1.352(3) . ?
O1 C39 1.343(2) . ?
O2 C40 1.351(2) . ?
O3 C54 1.343(3) . ?
O4 C53 1.348(2) . ?
N1 C59 1.523(3) . ?
N1 C63 1.520(3) . ?
N1 C67 1.521(3) . ?
N1 C71 1.517(3) . ?
C1 C2 1.414(3) . ?
C1 C6 1.378(3) . ?
C2 C3 1.376(3) . ?
C3 C4 1.382(3) . ?
C4 C5 1.365(3) . ?
C5 C6 1.385(3) . ?
C7 C8 1.388(3) . ?
C7 C12 1.394(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.392(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.378(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.391(3) . ?
C13 C18 1.393(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.381(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.388(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.387(3) . ?
C19 C24 1.395(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.387(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.378(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.380(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.386(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.396(3) . ?
C25 C30 1.390(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.384(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.387(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.383(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.360(3) . ?
C31 C41 1.405(3) . ?
C32 C33 1.381(3) . ?
C33 C34 1.365(3) . ?
C34 C42 1.408(3) . ?
C35 C36 1.366(3) . ?
C35 C43 1.408(3) . ?
C36 C37 1.381(3) . ?
C37 C38 1.362(3) . ?
C38 C44 1.407(3) . ?
C39 C40 1.372(3) . ?
C39 C44 1.431(3) . ?
C40 C41 1.433(3) . ?
C41 C42 1.430(3) . ?
C42 C43 1.454(3) . ?
C43 C44 1.426(3) . ?
C45 C46 1.363(3) . ?
C45 C55 1.405(3) . ?
C46 C47 1.381(3) . ?
C47 C48 1.360(3) . ?
C48 C56 1.411(3) . ?
C49 C50 1.360(3) . ?
C49 C57 1.411(3) . ?
C50 C51 1.384(3) . ?
C51 C52 1.364(3) . ?
C52 C58 1.410(3) . ?
C53 C54 1.374(3) . ?
C53 C58 1.427(3) . ?
C54 C55 1.432(3) . ?
C55 C56 1.432(3) . ?
C56 C57 1.448(3) . ?
C57 C58 1.433(3) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.523(3) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 C61 1.533(3) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.518(3) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 C64 1.519(3) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 C65 1.520(3) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C65 C66 1.519(3) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 C68 1.511(3) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C68 C69 1.526(3) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C69 C70 1.519(3) . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C71 C72 1.523(3) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C72 C73 1.532(3) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C73 C74 1.520(3) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?

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
F21 Sb1 C1 81.23(6) . . ?
F21 Sb1 C7 170.32(6) . . ?
O1 Sb1 F21 81.68(5) . . ?
O1 Sb1 O2 78.19(5) . . ?
O1 Sb1 C1 83.96(6) . . ?
O1 Sb1 C7 91.24(7) . . ?
O1 Sb1 C13 165.03(7) . . ?
O2 Sb1 F21 77.41(5) . . ?
O2 Sb1 C1 153.84(7) . . ?
O2 Sb1 C7 94.73(7) . . ?
O2 Sb1 C13 91.07(7) . . ?
C7 Sb1 C1 104.71(8) . . ?
C13 Sb1 F21 85.85(6) . . ?
C13 Sb1 C1 102.34(8) . . ?
C13 Sb1 C7 100.10(8) . . ?
F21 Sb2 C2 80.65(6) . . ?
F21 Sb2 C19 169.98(6) . . ?
F21 Sb2 C25 88.29(6) . . ?
O3 Sb2 F21 81.64(5) . . ?
O3 Sb2 C2 85.40(7) . . ?
O3 Sb2 C19 90.27(7) . . ?
O3 Sb2 C25 166.38(7) . . ?
O4 Sb2 F21 76.19(5) . . ?
O4 Sb2 O3 78.94(5) . . ?
O4 Sb2 C2 153.62(7) . . ?
O4 Sb2 C19 96.53(7) . . ?
O4 Sb2 C25 89.80(7) . . ?
C19 Sb2 C2 104.71(8) . . ?
C25 Sb2 C2 102.05(8) . . ?
C25 Sb2 C19 98.69(8) . . ?
Sb2 F21 Sb1 129.48(5) . . ?
C39 O1 Sb1 111.21(12) . . ?
C40 O2 Sb1 110.01(12) . . ?
C54 O3 Sb2 112.32(13) . . ?
C53 O4 Sb2 111.48(12) . . ?
C63 N1 C59 111.82(16) . . ?
C63 N1 C67 105.20(16) . . ?
C67 N1 C59 111.61(17) . . ?
C71 N1 C59 106.42(16) . . ?
C71 N1 C63 110.92(17) . . ?
C71 N1 C67 110.97(16) . . ?
C2 C1 Sb1 122.46(15) . . ?
C6 C1 Sb1 118.92(15) . . ?
C6 C1 C2 117.98(19) . . ?
C1 C2 Sb2 123.88(15) . . ?
C3 C2 Sb2 118.00(15) . . ?
C3 C2 C1 117.81(19) . . ?
F1 C3 C2 120.96(18) . . ?
F1 C3 C4 115.79(18) . . ?
C2 C3 C4 123.3(2) . . ?
F2 C4 C3 120.77(19) . . ?
F2 C4 C5 120.22(19) . . ?
C5 C4 C3 119.00(19) . . ?
F3 C5 C4 120.08(19) . . ?
F3 C5 C6 121.07(19) . . ?
C4 C5 C6 118.85(19) . . ?
F4 C6 C1 121.25(18) . . ?
F4 C6 C5 115.73(18) . . ?
C1 C6 C5 123.02(19) . . ?
C8 C7 Sb1 118.82(16) . . ?
C8 C7 C12 119.4(2) . . ?
C12 C7 Sb1 121.77(16) . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.4(2) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.7(2) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.0(2) . . ?
C11 C12 H12 120.0 . . ?
C14 C13 Sb1 118.49(16) . . ?
C14 C13 C18 119.5(2) . . ?
C18 C13 Sb1 121.92(16) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.1(2) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(2) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 119.9(2) . . ?
C17 C18 H18 120.0 . . ?
C20 C19 Sb2 121.07(15) . . ?
C20 C19 C24 119.0(2) . . ?
C24 C19 Sb2 119.90(15) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.3(2) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.7(2) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.5(2) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.1(2) . . ?
C23 C24 H24 120.0 . . ?
C26 C25 Sb2 118.56(16) . . ?
C30 C25 Sb2 121.80(16) . . ?
C30 C25 C26 119.2(2) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.4(2) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(2) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.1 . . ?
C27 C28 C29 119.8(2) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(2) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 H30 119.9 . . ?
C29 C30 C25 120.2(2) . . ?
C29 C30 H30 119.9 . . ?
F5 C31 C32 116.61(19) . . ?
F5 C31 C41 121.11(19) . . ?
C32 C31 C41 122.3(2) . . ?
F6 C32 C31 120.9(2) . . ?
F6 C32 C33 119.4(2) . . ?
C31 C32 C33 119.7(2) . . ?
F7 C33 C32 119.5(2) . . ?
F7 C33 C34 120.6(2) . . ?
C34 C33 C32 119.9(2) . . ?
F8 C34 C33 116.29(19) . . ?
F8 C34 C42 121.28(19) . . ?
C33 C34 C42 122.2(2) . . ?
F9 C35 C36 116.68(19) . . ?
F9 C35 C43 120.9(2) . . ?
C36 C35 C43 122.3(2) . . ?
F10 C36 C35 120.8(2) . . ?
F10 C36 C37 118.9(2) . . ?
C35 C36 C37 120.3(2) . . ?
F11 C37 C36 119.4(2) . . ?
F11 C37 C38 121.0(2) . . ?
C38 C37 C36 119.5(2) . . ?
F12 C38 C37 117.42(19) . . ?
F12 C38 C44 120.67(19) . . ?
C37 C38 C44 121.9(2) . . ?
O1 C39 C40 117.13(18) . . ?
O1 C39 C44 121.48(18) . . ?
C40 C39 C44 121.38(19) . . ?
O2 C40 C39 117.02(18) . . ?
O2 C40 C41 121.97(18) . . ?
C39 C40 C41 120.36(19) . . ?
C31 C41 C40 123.04(19) . . ?
C31 C41 C42 117.92(19) . . ?
C42 C41 C40 118.82(19) . . ?
C34 C42 C41 117.05(19) . . ?
C34 C42 C43 123.92(19) . . ?
C41 C42 C43 118.88(19) . . ?
C35 C43 C42 124.5(2) . . ?
C35 C43 C44 116.73(19) . . ?
C44 C43 C42 118.71(19) . . ?
C38 C44 C39 122.44(19) . . ?
C38 C44 C43 118.74(19) . . ?
C43 C44 C39 118.68(19) . . ?
F13 C45 C46 117.0(2) . . ?
F13 C45 C55 120.99(19) . . ?
C46 C45 C55 122.0(2) . . ?
F14 C46 C45 120.6(2) . . ?
F14 C46 C47 119.6(2) . . ?
C45 C46 C47 119.7(2) . . ?
F15 C47 C46 119.7(2) . . ?
F15 C47 C48 120.0(2) . . ?
C48 C47 C46 120.2(2) . . ?
F16 C48 C47 116.0(2) . . ?
F16 C48 C56 121.2(2) . . ?
C47 C48 C56 122.5(2) . . ?
F17 C49 C50 115.8(2) . . ?
F17 C49 C57 121.5(2) . . ?
C50 C49 C57 122.6(2) . . ?
F18 C50 C49 120.5(2) . . ?
F18 C50 C51 119.2(2) . . ?
C49 C50 C51 120.2(2) . . ?
F19 C51 C50 120.2(2) . . ?
F19 C51 C52 120.4(2) . . ?
C52 C51 C50 119.4(2) . . ?
F20 C52 C51 116.8(2) . . ?
F20 C52 C58 120.97(19) . . ?
C51 C52 C58 122.2(2) . . ?
O4 C53 C54 117.50(19) . . ?
O4 C53 C58 122.02(19) . . ?
C54 C53 C58 120.31(19) . . ?
O3 C54 C53 117.27(19) . . ?
O3 C54 C55 122.07(19) . . ?
C53 C54 C55 120.4(2) . . ?
C45 C55 C54 122.3(2) . . ?
C45 C55 C56 118.5(2) . . ?
C54 C55 C56 118.9(2) . . ?
C48 C56 C55 116.7(2) . . ?
C48 C56 C57 124.2(2) . . ?
C55 C56 C57 119.02(19) . . ?
C49 C57 C56 124.8(2) . . ?
C49 C57 C58 116.7(2) . . ?
C58 C57 C56 118.43(19) . . ?
C52 C58 C53 122.2(2) . . ?
C52 C58 C57 118.3(2) . . ?
C53 C58 C57 119.4(2) . . ?
N1 C59 H59A 108.3 . . ?
N1 C59 H59B 108.3 . . ?
N1 C59 C60 116.06(18) . . ?
H59A C59 H59B 107.4 . . ?
C60 C59 H59A 108.3 . . ?
C60 C59 H59B 108.3 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 C61 110.73(19) . . ?
H60A C60 H60B 108.1 . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
C60 C61 H61A 108.7 . . ?
C60 C61 H61B 108.7 . . ?
H61A C61 H61B 107.6 . . ?
C62 C61 C60 114.3(2) . . ?
C62 C61 H61A 108.7 . . ?
C62 C61 H61B 108.7 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1 C63 H63A 108.1 . . ?
N1 C63 H63B 108.1 . . ?
H63A C63 H63B 107.3 . . ?
C64 C63 N1 116.93(18) . . ?
C64 C63 H63A 108.1 . . ?
C64 C63 H63B 108.1 . . ?
C63 C64 H64A 110.0 . . ?
C63 C64 H64B 110.0 . . ?
C63 C64 C65 108.27(18) . . ?
H64A C64 H64B 108.4 . . ?
C65 C64 H64A 110.0 . . ?
C65 C64 H64B 110.0 . . ?
C64 C65 H65A 109.0 . . ?
C64 C65 H65B 109.0 . . ?
H65A C65 H65B 107.8 . . ?
C66 C65 C64 112.9(2) . . ?
C66 C65 H65A 109.0 . . ?
C66 C65 H65B 109.0 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N1 C67 H67A 108.1 . . ?
N1 C67 H67B 108.1 . . ?
H67A C67 H67B 107.3 . . ?
C68 C67 N1 116.69(18) . . ?
C68 C67 H67A 108.1 . . ?
C68 C67 H67B 108.1 . . ?
C67 C68 H68A 109.6 . . ?
C67 C68 H68B 109.6 . . ?
C67 C68 C69 110.3(2) . . ?
H68A C68 H68B 108.1 . . ?
C69 C68 H68A 109.6 . . ?
C69 C68 H68B 109.6 . . ?
C68 C69 H69A 109.2 . . ?
C68 C69 H69B 109.2 . . ?
H69A C69 H69B 107.9 . . ?
C70 C69 C68 112.2(2) . . ?
C70 C69 H69A 109.2 . . ?
C70 C69 H69B 109.2 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N1 C71 H71A 108.3 . . ?
N1 C71 H71B 108.3 . . ?
N1 C71 C72 115.79(18) . . ?
H71A C71 H71B 107.4 . . ?
C72 C71 H71A 108.3 . . ?
C72 C71 H71B 108.3 . . ?
C71 C72 H72A 109.7 . . ?
C71 C72 H72B 109.7 . . ?
C71 C72 C73 109.76(19) . . ?
H72A C72 H72B 108.2 . . ?
C73 C72 H72A 109.7 . . ?
C73 C72 H72B 109.7 . . ?
C72 C73 H73A 108.8 . . ?
C72 C73 H73B 108.8 . . ?
H73A C73 H73B 107.7 . . ?
C74 C73 C72 113.7(2) . . ?
C74 C73 H73A 108.8 . . ?
C74 C73 H73B 108.8 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?

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
Sb1 O1 C39 C40 -14.9(2) . . . . ?
Sb1 O1 C39 C44 166.04(15) . . . . ?
Sb1 O2 C40 C39 21.4(2) . . . . ?
Sb1 O2 C40 C41 -149.41(16) . . . . ?
Sb1 C1 C2 Sb2 19.3(2) . . . . ?
Sb1 C1 C2 C3 -167.10(15) . . . . ?
Sb1 C1 C6 F4 -12.5(3) . . . . ?
Sb1 C1 C6 C5 167.89(16) . . . . ?
Sb1 C7 C8 C9 179.65(16) . . . . ?
Sb1 C7 C12 C11 179.48(16) . . . . ?
Sb1 C13 C14 C15 -175.90(17) . . . . ?
Sb1 C13 C18 C17 175.70(16) . . . . ?
Sb2 O3 C54 C53 -4.3(2) . . . . ?
Sb2 O3 C54 C55 -178.72(15) . . . . ?
Sb2 O4 C53 C54 16.4(2) . . . . ?
Sb2 O4 C53 C58 -158.76(16) . . . . ?
Sb2 C2 C3 F1 -8.8(3) . . . . ?
Sb2 C2 C3 C4 171.56(16) . . . . ?
Sb2 C19 C20 C21 177.21(17) . . . . ?
Sb2 C19 C24 C23 -176.19(16) . . . . ?
Sb2 C25 C26 C27 -171.35(16) . . . . ?
Sb2 C25 C30 C29 171.01(17) . . . . ?
F1 C3 C4 F2 1.7(3) . . . . ?
F1 C3 C4 C5 -179.12(19) . . . . ?
F2 C4 C5 F3 0.0(3) . . . . ?
F2 C4 C5 C6 179.34(19) . . . . ?
F3 C5 C6 F4 0.9(3) . . . . ?
F3 C5 C6 C1 -179.42(19) . . . . ?
F5 C31 C32 F6 -1.5(3) . . . . ?
F5 C31 C32 C33 176.8(2) . . . . ?
F5 C31 C41 C40 -10.0(3) . . . . ?
F5 C31 C41 C42 175.51(18) . . . . ?
F6 C32 C33 F7 4.9(3) . . . . ?
F6 C32 C33 C34 -176.9(2) . . . . ?
F7 C33 C34 F8 4.8(3) . . . . ?
F7 C33 C34 C42 180.0(2) . . . . ?
F8 C34 C42 C41 165.54(19) . . . . ?
F8 C34 C42 C43 -9.9(3) . . . . ?
F9 C35 C36 F10 4.0(3) . . . . ?
F9 C35 C36 C37 -174.42(19) . . . . ?
F9 C35 C43 C42 -7.9(3) . . . . ?
F9 C35 C43 C44 168.69(18) . . . . ?
F10 C36 C37 F11 2.6(3) . . . . ?
F10 C36 C37 C38 -175.8(2) . . . . ?
F11 C37 C38 F12 -1.1(3) . . . . ?
F11 C37 C38 C44 -179.24(19) . . . . ?
F12 C38 C44 C39 -7.2(3) . . . . ?
F12 C38 C44 C43 177.09(19) . . . . ?
F13 C45 C46 F14 0.0(3) . . . . ?
F13 C45 C46 C47 177.0(2) . . . . ?
F13 C45 C55 C54 -9.2(3) . . . . ?
F13 C45 C55 C56 177.79(19) . . . . ?
F14 C46 C47 F15 3.7(3) . . . . ?
F14 C46 C47 C48 179.8(2) . . . . ?
F15 C47 C48 F16 3.3(3) . . . . ?
F15 C47 C48 C56 177.2(2) . . . . ?
F16 C48 C56 C55 167.34(19) . . . . ?
F16 C48 C56 C57 -8.8(3) . . . . ?
F17 C49 C50 F18 6.1(3) . . . . ?
F17 C49 C50 C51 -170.4(2) . . . . ?
F17 C49 C57 C56 -9.1(3) . . . . ?
F17 C49 C57 C58 166.95(19) . . . . ?
F18 C50 C51 F19 2.7(3) . . . . ?
F18 C50 C51 C52 -174.5(2) . . . . ?
F19 C51 C52 F20 -5.6(3) . . . . ?
F19 C51 C52 C58 177.1(2) . . . . ?
F20 C52 C58 C53 1.1(3) . . . . ?
F20 C52 C58 C57 -174.93(18) . . . . ?
O1 C39 C40 O2 -4.6(3) . . . . ?
O1 C39 C40 C41 166.38(18) . . . . ?
O1 C39 C44 C38 10.4(3) . . . . ?
O1 C39 C44 C43 -173.91(18) . . . . ?
O2 C40 C41 C31 1.2(3) . . . . ?
O2 C40 C41 C42 175.65(18) . . . . ?
O3 C54 C55 C45 7.9(3) . . . . ?
O3 C54 C55 C56 -179.09(18) . . . . ?
O4 C53 C54 O3 -8.3(3) . . . . ?
O4 C53 C54 C55 166.19(18) . . . . ?
O4 C53 C58 C52 11.7(3) . . . . ?
O4 C53 C58 C57 -172.28(18) . . . . ?
N1 C59 C60 C61 -173.74(19) . . . . ?
N1 C63 C64 C65 173.12(18) . . . . ?
N1 C67 C68 C69 176.33(19) . . . . ?
N1 C71 C72 C73 -165.58(18) . . . . ?
C1 C2 C3 F1 177.25(18) . . . . ?
C1 C2 C3 C4 -2.4(3) . . . . ?
C2 C1 C6 F4 176.55(18) . . . . ?
C2 C1 C6 C5 -3.1(3) . . . . ?
C2 C3 C4 F2 -178.69(19) . . . . ?
C2 C3 C4 C5 0.5(3) . . . . ?
C3 C4 C5 F3 -179.23(19) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 F4 -178.42(19) . . . . ?
C4 C5 C6 C1 1.2(3) . . . . ?
C6 C1 C2 Sb2 -170.02(15) . . . . ?
C6 C1 C2 C3 3.5(3) . . . . ?
C7 C8 C9 C10 1.0(3) . . . . ?
C8 C7 C12 C11 -0.4(3) . . . . ?
C8 C9 C10 C11 -0.6(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C7 0.7(3) . . . . ?
C12 C7 C8 C9 -0.5(3) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C13 C18 C17 -1.3(3) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C15 C16 C17 C18 0.4(3) . . . . ?
C16 C17 C18 C13 0.5(3) . . . . ?
C18 C13 C14 C15 1.2(3) . . . . ?
C19 C20 C21 C22 -1.4(3) . . . . ?
C20 C19 C24 C23 1.3(3) . . . . ?
C20 C21 C22 C23 1.9(3) . . . . ?
C21 C22 C23 C24 -0.9(3) . . . . ?
C22 C23 C24 C19 -0.8(3) . . . . ?
C24 C19 C20 C21 -0.3(3) . . . . ?
C25 C26 C27 C28 0.1(3) . . . . ?
C26 C25 C30 C29 -1.2(3) . . . . ?
C26 C27 C28 C29 -1.1(3) . . . . ?
C27 C28 C29 C30 1.0(3) . . . . ?
C28 C29 C30 C25 0.1(3) . . . . ?
C30 C25 C26 C27 1.1(3) . . . . ?
C31 C32 C33 F7 -173.4(2) . . . . ?
C31 C32 C33 C34 4.8(4) . . . . ?
C31 C41 C42 C34 10.3(3) . . . . ?
C31 C41 C42 C43 -174.02(19) . . . . ?
C32 C31 C41 C40 170.3(2) . . . . ?
C32 C31 C41 C42 -4.2(3) . . . . ?
C32 C33 C34 F8 -173.3(2) . . . . ?
C32 C33 C34 C42 1.9(3) . . . . ?
C33 C34 C42 C41 -9.4(3) . . . . ?
C33 C34 C42 C43 175.2(2) . . . . ?
C34 C42 C43 C35 -26.5(3) . . . . ?
C34 C42 C43 C44 157.0(2) . . . . ?
C35 C36 C37 F11 -179.0(2) . . . . ?
C35 C36 C37 C38 2.7(3) . . . . ?
C35 C43 C44 C38 8.5(3) . . . . ?
C35 C43 C44 C39 -167.39(19) . . . . ?
C36 C35 C43 C42 176.4(2) . . . . ?
C36 C35 C43 C44 -7.0(3) . . . . ?
C36 C37 C38 F12 177.2(2) . . . . ?
C36 C37 C38 C44 -0.9(3) . . . . ?
C37 C38 C44 C39 170.9(2) . . . . ?
C37 C38 C44 C43 -4.8(3) . . . . ?
C39 C40 C41 C31 -169.3(2) . . . . ?
C39 C40 C41 C42 5.1(3) . . . . ?
C40 C39 C44 C38 -168.6(2) . . . . ?
C40 C39 C44 C43 7.1(3) . . . . ?
C40 C41 C42 C34 -164.46(19) . . . . ?
C40 C41 C42 C43 11.2(3) . . . . ?
C41 C31 C32 F6 178.2(2) . . . . ?
C41 C31 C32 C33 -3.4(4) . . . . ?
C41 C42 C43 C35 158.1(2) . . . . ?
C41 C42 C43 C44 -18.4(3) . . . . ?
C42 C43 C44 C38 -174.72(19) . . . . ?
C42 C43 C44 C39 9.4(3) . . . . ?
C43 C35 C36 F10 179.88(19) . . . . ?
C43 C35 C36 C37 1.5(3) . . . . ?
C44 C39 C40 O2 174.45(18) . . . . ?
C44 C39 C40 C41 -14.6(3) . . . . ?
C45 C46 C47 F15 -173.3(2) . . . . ?
C45 C46 C47 C48 2.8(4) . . . . ?
C45 C55 C56 C48 7.5(3) . . . . ?
C45 C55 C56 C57 -176.1(2) . . . . ?
C46 C45 C55 C54 169.0(2) . . . . ?
C46 C45 C55 C56 -4.1(3) . . . . ?
C46 C47 C48 F16 -172.8(2) . . . . ?
C46 C47 C48 C56 1.1(4) . . . . ?
C47 C48 C56 C55 -6.3(3) . . . . ?
C47 C48 C56 C57 177.6(2) . . . . ?
C48 C56 C57 C49 -24.0(3) . . . . ?
C48 C56 C57 C58 160.0(2) . . . . ?
C49 C50 C51 F19 179.2(2) . . . . ?
C49 C50 C51 C52 2.0(4) . . . . ?
C49 C57 C58 C52 4.6(3) . . . . ?
C49 C57 C58 C53 -171.60(19) . . . . ?
C50 C49 C57 C56 175.5(2) . . . . ?
C50 C49 C57 C58 -8.4(3) . . . . ?
C50 C51 C52 F20 171.6(2) . . . . ?
C50 C51 C52 C58 -5.8(3) . . . . ?
C51 C52 C58 C53 178.3(2) . . . . ?
C51 C52 C58 C57 2.3(3) . . . . ?
C53 C54 C55 C45 -166.3(2) . . . . ?
C53 C54 C55 C56 6.7(3) . . . . ?
C54 C53 C58 C52 -163.3(2) . . . . ?
C54 C53 C58 C57 12.7(3) . . . . ?
C54 C55 C56 C48 -165.7(2) . . . . ?
C54 C55 C56 C57 10.6(3) . . . . ?
C55 C45 C46 F14 -178.2(2) . . . . ?
C55 C45 C46 C47 -1.3(4) . . . . ?
C55 C56 C57 C49 159.9(2) . . . . ?
C55 C56 C57 C58 -16.1(3) . . . . ?
C56 C57 C58 C52 -179.13(19) . . . . ?
C56 C57 C58 C53 4.7(3) . . . . ?
C57 C49 C50 F18 -178.3(2) . . . . ?
C57 C49 C50 C51 5.2(4) . . . . ?
C58 C53 C54 O3 166.97(18) . . . . ?
C58 C53 C54 C55 -18.5(3) . . . . ?
C59 N1 C63 C64 60.4(2) . . . . ?
C59 N1 C67 C68 -68.4(2) . . . . ?
C59 N1 C71 C72 -175.82(18) . . . . ?
C59 C60 C61 C62 64.7(3) . . . . ?
C63 N1 C59 C60 60.3(2) . . . . ?
C63 N1 C67 C68 170.19(19) . . . . ?
C63 N1 C71 C72 -54.0(2) . . . . ?
C63 C64 C65 C66 -176.6(2) . . . . ?
C67 N1 C59 C60 -57.2(2) . . . . ?
C67 N1 C63 C64 -178.33(19) . . . . ?
C67 N1 C71 C72 62.6(2) . . . . ?
C67 C68 C69 C70 166.0(2) . . . . ?
C71 N1 C59 C60 -178.40(19) . . . . ?
C71 N1 C63 C64 -58.3(2) . . . . ?
C71 N1 C67 C68 50.2(3) . . . . ?
C71 C72 C73 C74 75.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_i_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2071283'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-02-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            none
_chemical_name_systematic        none
_chemical_formula_moiety         'C57.951 H24 F16.972 O4 Sb2, C16 H35 N'
_chemical_formula_sum            'C73.95 H59 F16.97 N O4 Sb2'
_chemical_formula_weight         1591.56
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'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, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   43.782(13)
_cell_length_b                   12.384(3)
_cell_length_c                   24.941(7)
_cell_angle_alpha                90
_cell_angle_beta                 96.702(6)
_cell_angle_gamma                90
_cell_volume                     13431(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.16
_shelx_estimated_absorpt_T_max   0.895
_shelx_estimated_absorpt_T_min   0.852
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6371
_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.126
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            64060
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.394
_diffrn_reflns_theta_min         1.644
_diffrn_ambient_temperature      110.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9975
_reflns_number_total             13691
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         1.130
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1421
_refine_ls_number_reflns         13691
_refine_ls_number_restraints     4910
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      0.904
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0516P)²+60.7717P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1075
_refine_ls_wR_factor_ref         0.1228
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{C49B, C55D}
{C58A, C58D}
2. Others
 Fixed Uiso: H3(0.052) H4(0.066) H5(0.073) H6(0.055) H8(0.061) H9(0.079)
 H10(0.086) H11(0.08) H12(0.059) H14(0.076) H15(0.096) H16(0.105) H17(0.093)
 H18(0.07) H34(0.047) H35(0.065) H36(0.073) H37(0.075) H38(0.051) H40(0.056)
 H41(0.078) H42(0.081) H43(0.077) H44(0.059) H59A(0.103) H59B(0.103)
 H60A(0.125) H60B(0.125) H61(0.138) H62A(0.257) H62B(0.257) H62C(0.257)
 H63A(0.077) H63B(0.077) H64A(0.123) H64B(0.123) H65A(0.128) H65B(0.128)
 H66A(0.192) H66B(0.192) H66C(0.192) H67A(0.103) H67B(0.103) H68A(0.156)
 H68B(0.156) H69A(0.15) H69B(0.15) H70A(0.167) H70B(0.167) H70C(0.167)
 H71C(0.076) H71D(0.076) H71A(0.076) H71B(0.076) H72A(0.088) H72B(0.088)
 H72C(0.088) H72D(0.088) H73C(0.093) H73D(0.093) H73A(0.096) H73B(0.096)
 H74D(0.171) H74E(0.171) H74F(0.171) H74A(0.233) H74B(0.233) H74C(0.233)
 Fixed X: H3(0.174291) H4(0.213282) H5(0.231665) H6(0.211822) H8(0.151982)
 H9(0.176379) H10(0.225988) H11(0.250238) H12(0.225008) H14(0.166853)
 H15(0.204996) H16(0.252768) H17(0.263475) H18(0.227374) H34(0.178837)
 H35(0.177261) H36(0.133387) H37(0.09189) H38(0.092792) H40(0.068295)
 H41(0.022871) H42(0.02115) H43(0.064278) H44(0.110769) H59A(-0.131489) H59B(-
 0.098564) H60A(-0.155238) H60B(-0.121909) H61(-0.124784) H62A(-0.147051) H62B(-
 0.155121) H62C(-0.175644) H63A(-0.146863) H63B(-0.156879) H64A(-0.171222)
 H64B(-0.168222) H65A(-0.206094) H65B(-0.220401) H66A(-0.236737) H66B(-
 0.201848) H66C(-0.215005) H67A(-0.10925) H67B(-0.096154) H68A(-0.06766) H68B(-
 0.055031) H69A(-0.058236) H69B(-0.027131) H70A(-0.033607) H70B(-0.059578)
 H70C(-0.024721) H71C(-0.08861) H71D(-0.123551) H71A(-0.10701) H71B(-0.077811)
 H72A(-0.069707) H72B(-0.105382) H72C(-0.100975) H72D(-0.135051) H73C(-
 0.109459) H73D(-0.109068) H73A(-0.069975) H73B(-0.101563) H74D(-0.059781)
 H74E(-0.057425) H74F(-0.05938) H74A(-0.075899) H74B(-0.059122) H74C(-0.044413)
 Fixed Y: H3(0.992126) H4(1.087589) H5(1.025761) H6(0.870671) H8(0.799787)
 H9(0.819531) H10(0.755154) H11(0.663701) H12(0.631617) H14(0.440906)
 H15(0.311111) H16(0.366147) H17(0.544881) H18(0.674657) H34(0.840497)
 H35(0.938992) H36(1.035394) H37(1.038545) H38(0.94227) H40(0.710292)
 H41(0.773733) H42(0.9454) H43(1.052891) H44(0.98755) H59A(0.623219)
 H59B(0.677512) H60A(0.784371) H60B(0.838786) H61(0.783943) H62A(0.96887)
 H62B(0.929787) H62C(0.890062) H63A(0.606992) H63B(0.700557) H64A(0.555151)
 H64B(0.475386) H65A(0.606568) H65B(0.521022) H66A(0.691039) H66B(0.731261)
 H66C(0.64601) H67A(0.768054) H67B(0.665354) H68A(0.760271) H68B(0.652709)
 H69A(0.857168) H69B(0.811498) H70A(0.772989) H70B(0.688402) H70C(0.670726)
 H71C(0.497318) H71D(0.472177) H71A(0.478956) H71B(0.557125) H72A(0.509299)
 H72B(0.481122) H72C(0.469995) H72D(0.43585) H73C(0.289473) H73D(0.26881)
 H73A(0.351453) H73B(0.3169) H74D(0.374292) H74E(0.254069) H74F(0.354499)
 H74A(0.304025) H74B(0.227319) H74C(0.341789)
 Fixed Z: H3(0.322918) H4(0.374544) H5(0.460823) H6(0.494347) H8(0.576419)
 H9(0.664926) H10(0.686569) H11(0.623896) H12(0.537132) H14(0.453268)
 H15(0.437849) H16(0.419013) H17(0.411177) H18(0.426258) H34(0.235503)
 H35(0.155035) H36(0.123113) H37(0.171242) H38(0.252151) H40(0.328777)
 H41(0.357327) H42(0.393377) H43(0.404821) H44(0.37869) H59A(0.467317)
 H59B(0.466015) H60A(0.429726) H60B(0.431266) H61(0.539233) H62A(0.491376)
 H62B(0.549242) H62C(0.495561) H63A(0.321685) H63B(0.359952) H64A(0.419704)
 H64B(0.369976) H65A(0.31629) H65B(0.354986) H66A(0.372661) H66B(0.384103)
 H66C(0.423823) H67A(0.352434) H67B(0.323781) H68A(0.422649) H68B(0.39719)
 H69A(0.341728) H69B(0.374295) H70A(0.276711) H70B(0.288799) H70C(0.314571)
 H71C(0.41345) H71D(0.421157) H71A(0.426682) H71B(0.426681) H72A(0.34084)
 H72B(0.323536) H72C(0.31804) H72D(0.328694) H73C(0.389929) H73D(0.326236)
 H73A(0.405008) H73B(0.370059) H74D(0.336428) H74E(0.36008) H74F(0.399914)
 H74A(0.291613) H74B(0.337606) H74C(0.32549)
;
_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
Sb1 Sb 0.16428(2) 0.69536(2) 0.46689(2) 0.02795(9) Uani 1 1 d . . . . .
Sb2 Sb 0.13589(2) 0.78984(2) 0.32446(2) 0.02569(9) Uani 1 1 d . . . . .
F1B F 0.0947(5) 0.429(2) 0.4387(13) 0.049(6) Uani 0.189(4) 1 d D U P C 2
F2B F 0.0417(6) 0.3416(18) 0.4118(9) 0.081(6) Uani 0.189(4) 1 d D U P C 2
F3B F -0.0111(4) 0.4574(19) 0.4171(9) 0.084(6) Uani 0.189(4) 1 d D U P C 2
F4B F -0.0087(4) 0.6573(19) 0.4535(10) 0.080(6) Uani 0.189(4) 1 d D U P C 2
F5B F -0.0014(4) 0.761(2) 0.5280(9) 0.083(6) Uani 0.189(4) 1 d D U P C 2
F6B F 0.0051(5) 0.965(2) 0.5598(9) 0.100(7) Uani 0.189(4) 1 d D U P C 2
F7B F 0.0592(6) 1.0737(19) 0.5537(9) 0.094(7) Uani 0.189(4) 1 d D U P C 2
F8B F 0.1064(5) 0.9765(19) 0.5198(9) 0.060(6) Uani 0.189(4) 1 d D U P C 2
C19B C 0.0715(5) 0.488(2) 0.4478(14) 0.049(4) Uani 0.189(4) 1 d D U P C 2
C20B C 0.0421(5) 0.439(2) 0.4323(13) 0.057(4) Uani 0.189(4) 1 d D U P C 2
C21B C 0.0168(5) 0.499(2) 0.4355(16) 0.059(5) Uani 0.189(4) 1 d D U P C 2
C22B C 0.0181(5) 0.6019(19) 0.4563(12) 0.057(4) Uani 0.189(4) 1 d D U P C 2
C23B C 0.0463(5) 0.648(2) 0.4764(15) 0.046(4) Uani 0.189(4) 1 d D U P C 2
C24B C 0.0732(5) 0.5902(19) 0.4704(13) 0.044(4) Uani 0.189(4) 1 d D U P C 2
C25B C 0.0804(6) 0.918(3) 0.518(2) 0.052(5) Uani 0.189(4) 1 d D U P C 2
C26B C 0.0558(5) 0.970(2) 0.5380(13) 0.058(5) Uani 0.189(4) 1 d D U P C 2
C27B C 0.0284(6) 0.914(2) 0.5379(16) 0.065(5) Uani 0.189(4) 1 d D U P C 2
C28B C 0.0252(6) 0.809(2) 0.5225(16) 0.058(4) Uani 0.189(4) 1 d D U P C 2
C29B C 0.0490(5) 0.7572(18) 0.4994(12) 0.051(4) Uani 0.189(4) 1 d D U P C 2
C30B C 0.0773(6) 0.812(2) 0.5015(14) 0.046(5) Uani 0.189(4) 1 d D U P C 2
F1A F 0.10922(12) 0.3962(4) 0.4362(2) 0.0493(13) Uani 0.811(4) 1 d D U P C 1
F2A F 0.06005(13) 0.2818(4) 0.39906(19) 0.0739(16) Uani 0.811(4) 1 d D U P C 1
F3A F 0.00397(12) 0.3771(5) 0.3853(2) 0.0913(19) Uani 0.811(4) 1 d D U P C 1
F4A F -0.00355(9) 0.5775(5) 0.4160(2) 0.0786(16) Uani 0.811(4) 1 d D U P C 1
F5A F -0.00684(10) 0.6737(5) 0.4972(2) 0.0772(16) Uani 0.811(4) 1 d D U P C 1
F6A F -0.01021(11) 0.8682(6) 0.5377(2) 0.0926(19) Uani 0.811(4) 1 d D U P C 1
F7A F 0.03916(14) 0.9998(5) 0.5505(2) 0.0826(17) Uani 0.811(4) 1 d D U P C 1
F8A F 0.09322(14) 0.9325(4) 0.5250(3) 0.0566(15) Uani 0.811(4) 1 d D U P C 1
C19A C 0.0814(2) 0.4431(9) 0.4377(5) 0.044(2) Uani 0.811(4) 1 d D U P C 1
C20A C 0.05676(19) 0.3834(6) 0.4161(3) 0.058(2) Uani 0.811(4) 1 d D U P C 1
C21A C 0.02804(18) 0.4310(7) 0.4105(3) 0.060(2) Uani 0.811(4) 1 d D U P C 1
C22A C 0.02441(17) 0.5333(7) 0.4286(3) 0.057(2) Uani 0.811(4) 1 d D U P C 1
C23A C 0.04864(14) 0.5923(6) 0.4561(3) 0.0436(16) Uani 0.811(4) 1 d D U P C 1
C24A C 0.07869(15) 0.5470(6) 0.4580(3) 0.0358(15) Uani 0.811(4) 1 d D U P C 1
C25A C 0.06906(17) 0.8673(6) 0.5137(3) 0.0452(17) Uani 0.811(4) 1 d D U P C 1
C26A C 0.04129(19) 0.9025(7) 0.5274(3) 0.058(2) Uani 0.811(4) 1 d D U P C 1
C27A C 0.01630(19) 0.8367(8) 0.5200(4) 0.064(2) Uani 0.811(4) 1 d D U P C 1
C28A C 0.01810(16) 0.7363(7) 0.4977(3) 0.0579(19) Uani 0.811(4) 1 d D U P C 1
C29A C 0.04537(15) 0.6987(6) 0.4811(3) 0.0425(16) Uani 0.811(4) 1 d D U P C 1
C30A C 0.07215(15) 0.7643(5) 0.4908(3) 0.0377(15) Uani 0.811(4) 1 d D U P C 1
F9B F 0.2185(7) 0.568(2) 0.297(2) 0.052(6) Uani 0.180(4) 1 d D U P B 3
F10B F 0.2462(5) 0.387(2) 0.2865(11) 0.070(6) Uani 0.180(4) 1 d D U P B 3
F11B F 0.2168(7) 0.1994(16) 0.2741(9) 0.071(6) Uani 0.180(4) 1 d D U P B 3
F12B F 0.1504(6) 0.1941(11) 0.2666(8) 0.065(5) Uani 0.180(4) 1 d D U P B 3
F13B F 0.1171(7) 0.2000(18) 0.3336(12) 0.090(6) Uani 0.180(4) 1 d D U P B 3
F14B F 0.0569(6) 0.2018(17) 0.3237(11) 0.096(6) Uani 0.180(4) 1 d D U P B 3
F15B F 0.0254(5) 0.388(2) 0.3024(11) 0.087(7) Uani 0.180(4) 1 d D U P B 3
F16B F 0.0544(5) 0.5692(18) 0.2845(14) 0.064(7) Uani 0.180(4) 1 d D U P B 3
C45B C 0.2007(4) 0.4795(11) 0.2946(11) 0.046(4) Uani 0.180(4) 1 d DG U P B 3
C46B C 0.2160(3) 0.3836(14) 0.2868(11) 0.051(4) Uani 0.180(4) 1 d DG U P B 3
C47B C 0.1998(4) 0.2872(11) 0.2804(11) 0.051(4) Uani 0.180(4) 1 d DG U P B 3
C48B C 0.1681(4) 0.2867(11) 0.2818(10) 0.050(4) Uani 0.180(4) 1 d DG U P B 3
C49B C 0.1527(4) 0.3826(13) 0.2895(10) 0.038(3) Uani 0.180(4) 1 d DG U P B 3
C50B C 0.1690(4) 0.4790(11) 0.2959(11) 0.042(3) Uani 0.180(4) 1 d DG U P B 3
C51B C 0.0720(4) 0.4815(12) 0.2942(13) 0.050(4) Uani 0.180(4) 1 d DG U P B 3
C52B C 0.0562(3) 0.3860(14) 0.3010(12) 0.059(4) Uani 0.180(4) 1 d DG U P B 3
C53B C 0.0722(4) 0.2895(12) 0.3095(12) 0.060(4) Uani 0.180(4) 1 d DG U P B 3
C54B C 0.1041(4) 0.2885(11) 0.3112(12) 0.055(4) Uani 0.180(4) 1 d DG U P B 3
C55B C 0.1199(3) 0.3840(13) 0.3044(10) 0.050(3) Uani 0.180(4) 1 d DG U P B 3
C56B C 0.1038(4) 0.4805(11) 0.2959(11) 0.043(4) Uani 0.180(4) 1 d DG U P B 3
F9A F 0.2246(4) 0.6056(10) 0.2973(8) 0.049(4) Uani 0.437(8) 1 d D U P B 1
F10A F 0.2623(3) 0.4362(11) 0.2948(4) 0.065(3) Uani 0.437(8) 1 d D U P B 1
F11A F 0.2396(4) 0.2360(10) 0.2837(5) 0.086(4) Uani 0.437(8) 1 d D U P B 1
F12A F 0.1786(4) 0.1996(8) 0.2728(5) 0.080(4) Uani 0.437(8) 1 d D U P B 1
F13A F 0.1394(4) 0.1852(9) 0.3256(6) 0.081(4) Uani 0.437(8) 1 d D U P B 1
F14A F 0.0788(4) 0.1603(8) 0.3087(6) 0.092(4) Uani 0.437(8) 1 d D U P B 1
F15A F 0.0415(3) 0.3344(14) 0.2862(9) 0.072(4) Uani 0.437(8) 1 d D U P B 1
F16A F 0.0651(5) 0.5288(15) 0.2844(9) 0.063(5) Uani 0.437(8) 1 d D U P B 1
C45A C 0.2124(2) 0.5085(7) 0.2978(6) 0.045(3) Uani 0.437(8) 1 d DG U P B 1
C46A C 0.2320(2) 0.4212(9) 0.2938(5) 0.050(3) Uani 0.437(8) 1 d DG U P B 1
C47A C 0.2202(3) 0.3169(8) 0.2901(5) 0.054(3) Uani 0.437(8) 1 d DG U P B 1
C48A C 0.1889(3) 0.2998(6) 0.2902(5) 0.053(3) Uani 0.437(8) 1 d DG U P B 1
C49A C 0.1693(2) 0.3871(7) 0.2942(5) 0.042(3) Uani 0.437(8) 1 d DG U P B 1
C50A C 0.1811(2) 0.4914(6) 0.2979(6) 0.041(3) Uani 0.437(8) 1 d DG U P B 1
C51A C 0.0850(3) 0.4482(8) 0.2878(8) 0.047(3) Uani 0.437(8) 1 d DG U P B 1
C52A C 0.0723(2) 0.3462(9) 0.2921(7) 0.053(3) Uani 0.437(8) 1 d DG U P B 1
C53A C 0.0912(3) 0.2560(7) 0.2987(6) 0.063(3) Uani 0.437(8) 1 d DG U P B 1
C54A C 0.1229(3) 0.2679(7) 0.3009(6) 0.058(3) Uani 0.437(8) 1 d DG U P B 1
C55A C 0.1357(2) 0.3699(8) 0.2966(6) 0.042(3) Uani 0.437(8) 1 d DG U P B 1
C56A C 0.1167(3) 0.4601(7) 0.2900(7) 0.040(3) Uani 0.437(8) 1 d DG U P B 1
F9D F 0.2288(5) 0.6502(11) 0.2942(10) 0.056(4) Uani 0.379(8) 1 d . U P B 2
F10D F 0.2703(3) 0.4993(12) 0.2829(6) 0.078(4) Uani 0.379(8) 1 d . U P B 2
F11D F 0.2540(3) 0.2911(12) 0.2691(5) 0.081(4) Uani 0.379(8) 1 d . U P B 2
F12D F 0.1967(4) 0.2297(12) 0.2706(6) 0.072(4) Uani 0.379(8) 1 d . U P B 2
F13D F 0.1591(4) 0.2032(10) 0.3255(6) 0.087(4) Uani 0.379(8) 1 d . U P B 2
F14D F 0.0986(4) 0.1567(10) 0.3158(6) 0.086(4) Uani 0.379(8) 1 d . U P B 2
F15D F 0.0545(4) 0.3126(16) 0.2861(9) 0.065(4) Uani 0.379(8) 1 d . U P B 2
F16D F 0.0708(5) 0.5136(17) 0.2720(6) 0.036(3) Uani 0.379(8) 1 d . U P B 2
F17 F 0.13720(6) 0.67943(19) 0.39069(10) 0.0321(6) Uani 1 1 d . . . . .
O1 O 0.13293(7) 0.5768(3) 0.48029(12) 0.0362(8) Uani 1 1 d . U . . .
O2 O 0.12736(8) 0.7846(3) 0.48659(13) 0.0375(8) Uani 1 1 d . U . . .
O3 O 0.11252(8) 0.6600(3) 0.28793(13) 0.0412(8) Uani 1 1 d D U . . .
O4 O 0.17069(8) 0.6903(3) 0.30438(14) 0.0450(9) Uani 1 1 d D U . . .
N155 N -0.11774(14) 0.6249(4) 0.39009(18) 0.0678(15) Uani 1 1 d D U . . .
C1 C 0.18099(11) 0.8367(4) 0.42960(18) 0.0326(10) Uani 1 1 d . U . . .
C2 C 0.17009(10) 0.8729(4) 0.37756(18) 0.0319(10) Uani 1 1 d . U . . .
C3 C 0.18201(12) 0.9667(4) 0.3578(2) 0.0437(13) Uani 1 1 d . U . . .
H3 H 0.174291 0.992126 0.322918 0.052 Uiso 1 1 calc R U . . .
C4 C 0.20505(13) 1.0239(5) 0.3885(2) 0.0547(15) Uani 1 1 d . U . . .
H4 H 0.213282 1.087589 0.374544 0.066 Uiso 1 1 calc R U . . .
C5 C 0.21592(14) 0.9871(5) 0.4395(2) 0.0609(17) Uani 1 1 d . U . . .
H5 H 0.231665 1.025761 0.460823 0.073 Uiso 1 1 calc R U . . .
C6 C 0.20404(12) 0.8951(4) 0.4593(2) 0.0458(13) Uani 1 1 d . U . . .
H6 H 0.211822 0.870671 0.494347 0.055 Uiso 1 1 calc R U . . .
C7 C 0.18593(11) 0.7128(4) 0.54817(18) 0.0359(11) Uani 1 1 d . U . . .
C8 C 0.17182(14) 0.7697(5) 0.5860(2) 0.0506(14) Uani 1 1 d . U . . .
H8 H 0.151982 0.799787 0.576419 0.061 Uiso 1 1 calc R U . . .
C9 C 0.18654(17) 0.7833(5) 0.6385(2) 0.0661(18) Uani 1 1 d . U . . .
H9 H 0.176379 0.819531 0.664926 0.079 Uiso 1 1 calc R U . . .
C10 C 0.21568(16) 0.7441(7) 0.6513(2) 0.0720(19) Uani 1 1 d . U . . .
H10 H 0.225988 0.755154 0.686569 0.086 Uiso 1 1 calc R U . . .
C11 C 0.22993(14) 0.6899(6) 0.6145(2) 0.0665(18) Uani 1 1 d . U . . .
H11 H 0.250238 0.663701 0.623896 0.080 Uiso 1 1 calc R U . . .
C12 C 0.21507(12) 0.6719(5) 0.5625(2) 0.0490(14) Uani 1 1 d . U . . .
H12 H 0.225008 0.631617 0.537132 0.059 Uiso 1 1 calc R U . . .
C13 C 0.19365(12) 0.5723(4) 0.44273(18) 0.0426(13) Uani 1 1 d . U . . .
C14 C 0.18658(16) 0.4635(5) 0.4454(2) 0.0630(17) Uani 1 1 d . U . . .
H14 H 0.166853 0.440906 0.453268 0.076 Uiso 1 1 calc R U . . .
C15 C 0.2095(2) 0.3860(6) 0.4360(3) 0.080(2) Uani 1 1 d . U . . .
H15 H 0.204996 0.311111 0.437849 0.096 Uiso 1 1 calc R U . . .
C16 C 0.2375(2) 0.4185(8) 0.4243(3) 0.088(3) Uani 1 1 d . U . . .
H16 H 0.252768 0.366147 0.419013 0.105 Uiso 1 1 calc R U . . .
C17 C 0.24392(16) 0.5232(8) 0.4203(2) 0.078(2) Uani 1 1 d . U . . .
H17 H 0.263475 0.544881 0.411177 0.093 Uiso 1 1 calc R U . . .
C18 C 0.22236(13) 0.6004(6) 0.4293(2) 0.0580(16) Uani 1 1 d . U . . .
H18 H 0.227374 0.674657 0.426258 0.070 Uiso 1 1 calc R U . . .
C27 C 0.10174(11) 0.7246(4) 0.48405(18) 0.0383(12) Uani 1 1 d . U . . .
C28 C 0.10460(11) 0.6165(4) 0.47670(19) 0.0401(12) Uani 1 1 d . U . . .
C33 C 0.13603(11) 0.8814(4) 0.25181(17) 0.0321(10) Uani 1 1 d . U . . .
C34 C 0.16097(12) 0.8807(4) 0.22279(19) 0.0394(12) Uani 1 1 d . U . . .
H34 H 0.178837 0.840497 0.235503 0.047 Uiso 1 1 calc R U . . .
C35 C 0.15999(15) 0.9390(5) 0.1748(2) 0.0538(15) Uani 1 1 d . U . . .
H35 H 0.177261 0.938992 0.155035 0.065 Uiso 1 1 calc R U . . .
C36 C 0.13408(16) 0.9965(5) 0.1561(2) 0.0606(17) Uani 1 1 d . U . . .
H36 H 0.133387 1.035394 0.123113 0.073 Uiso 1 1 calc R U . . .
C37 C 0.10963(15) 0.9980(5) 0.1843(2) 0.0627(17) Uani 1 1 d . U . . .
H37 H 0.091890 1.038545 0.171242 0.075 Uiso 1 1 calc R U . . .
C38 C 0.11013(12) 0.9407(4) 0.2325(2) 0.0425(12) Uani 1 1 d . U . . .
H38 H 0.092792 0.942270 0.252151 0.051 Uiso 1 1 calc R U . . .
C39 C 0.09404(11) 0.8436(4) 0.35082(18) 0.0362(11) Uani 1 1 d . U . . .
C40 C 0.06769(11) 0.7800(5) 0.3445(2) 0.0467(13) Uani 1 1 d . U . . .
H40 H 0.068295 0.710292 0.328777 0.056 Uiso 1 1 calc R U . . .
C41 C 0.04078(14) 0.8177(6) 0.3610(3) 0.0652(18) Uani 1 1 d . U . . .
H41 H 0.022871 0.773733 0.357327 0.078 Uiso 1 1 calc R U . . .
C42 C 0.03993(16) 0.9192(6) 0.3828(3) 0.0679(19) Uani 1 1 d . U . . .
H42 H 0.021150 0.945400 0.393377 0.081 Uiso 1 1 calc R U . . .
C43 C 0.06524(17) 0.9829(5) 0.3895(2) 0.0644(17) Uani 1 1 d . U . . .
H43 H 0.064278 1.052891 0.404821 0.077 Uiso 1 1 calc R U . . .
C44 C 0.09279(14) 0.9441(4) 0.3736(2) 0.0495(14) Uani 1 1 d . U . . .
H44 H 0.110769 0.987550 0.378690 0.059 Uiso 1 1 calc R U . . .
C45D C 0.2187(3) 0.5498(8) 0.2919(7) 0.049(4) Uani 0.379(8) 1 d G U P B 2
C46D C 0.2408(2) 0.4722(11) 0.2849(6) 0.054(3) Uani 0.379(8) 1 d G U P B 2
C47D C 0.2326(3) 0.3638(10) 0.2804(6) 0.052(4) Uani 0.379(8) 1 d G U P B 2
C48D C 0.2023(3) 0.3331(8) 0.2830(6) 0.047(3) Uani 0.379(8) 1 d G U P B 2
C49D C 0.1802(2) 0.4106(9) 0.2900(6) 0.045(3) Uani 0.379(8) 1 d G U P B 2
C50D C 0.1884(3) 0.5190(9) 0.2944(7) 0.038(3) Uani 0.379(8) 1 d G U P B 2
C51D C 0.0938(3) 0.4414(10) 0.2845(9) 0.048(3) Uani 0.379(8) 1 d G U P B 2
C52D C 0.0848(3) 0.3359(12) 0.2931(8) 0.053(3) Uani 0.379(8) 1 d G U P B 2
C53D C 0.1068(3) 0.2554(9) 0.3038(7) 0.057(3) Uani 0.379(8) 1 d G U P B 2
C54D C 0.1378(3) 0.2804(9) 0.3059(6) 0.058(3) Uani 0.379(8) 1 d G U P B 2
C55D C 0.1469(3) 0.3860(10) 0.2973(7) 0.038(3) Uani 0.379(8) 1 d G U P B 2
C56D C 0.1249(3) 0.4665(8) 0.2866(8) 0.041(3) Uani 0.379(8) 1 d G U P B 2
C57A C 0.1307(8) 0.571(2) 0.288(3) 0.041(4) Uani 0.437(8) 1 d D U P B 1
C57D C 0.1335(9) 0.579(3) 0.290(3) 0.042(4) Uani 0.379(8) 1 d D U P B 2
C57B C 0.1235(11) 0.5585(17) 0.293(2) 0.043(4) Uani 0.180(4) 1 d D U P B 3
C58D C 0.1602(12) 0.5883(16) 0.3005(17) 0.041(4) Uani 0.379(8) 1 d D U P B 2
C58B C 0.1551(14) 0.597(3) 0.295(3) 0.042(4) Uani 0.180(4) 1 d D U P B 3
C58A C 0.1642(8) 0.5860(11) 0.2941(15) 0.042(4) Uani 0.437(8) 1 d D U P B 1
C59 C -0.1197(2) 0.6738(6) 0.4469(2) 0.086(2) Uani 1 1 d . U . . .
H59A H -0.131489 0.623219 0.467317 0.103 Uiso 1 1 calc R U . . .
H59B H -0.098564 0.677512 0.466015 0.103 Uiso 1 1 calc R U . . .
C60 C -0.1342(2) 0.7855(7) 0.4492(3) 0.104(3) Uani 1 1 d . U . . .
H60A H -0.155238 0.784371 0.429726 0.125 Uiso 1 1 calc R U . . .
H60B H -0.121909 0.838786 0.431266 0.125 Uiso 1 1 calc R U . . .
C61 C -0.1355(2) 0.8191(7) 0.5088(3) 0.115(3) Uani 1 1 d . U . . .
H61 H -0.124784 0.783943 0.539233 0.138 Uiso 1 1 calc R U . . .
C62 C -0.1548(3) 0.9087(10) 0.5114(4) 0.171(5) Uani 1 1 d . U . . .
H62A H -0.147051 0.968870 0.491376 0.257 Uiso 1 1 calc R U . . .
H62B H -0.155121 0.929787 0.549242 0.257 Uiso 1 1 calc R U . . .
H62C H -0.175644 0.890062 0.495561 0.257 Uiso 1 1 calc R U . . .
C63 C -0.14883(16) 0.6259(5) 0.3597(2) 0.0642(17) Uani 1 1 d . U . . .
H63A H -0.146863 0.606992 0.321685 0.077 Uiso 1 1 calc R U . . .
H63B H -0.156879 0.700557 0.359952 0.077 Uiso 1 1 calc R U . . .
C64 C -0.1726(2) 0.5508(6) 0.3799(4) 0.102(3) Uani 1 1 d . U . . .
H64A H -0.171222 0.555151 0.419704 0.123 Uiso 1 1 calc R U . . .
H64B H -0.168222 0.475386 0.369976 0.123 Uiso 1 1 calc R U . . .
C65 C -0.2062(2) 0.5832(7) 0.3542(4) 0.107(3) Uani 1 1 d . U . . .
H65A H -0.206094 0.606568 0.316290 0.128 Uiso 1 1 calc R U . . .
H65B H -0.220401 0.521022 0.354986 0.128 Uiso 1 1 calc R U . . .
C66 C -0.2157(2) 0.6696(8) 0.3862(4) 0.128(4) Uani 1 1 d . U . . .
H66A H -0.236737 0.691039 0.372661 0.192 Uiso 1 1 calc R U . . .
H66B H -0.201848 0.731261 0.384103 0.192 Uiso 1 1 calc R U . . .
H66C H -0.215005 0.646010 0.423823 0.192 Uiso 1 1 calc R U . . .
C67 C -0.09828(15) 0.6986(7) 0.3593(3) 0.086(2) Uani 1 1 d . U . . .
H67A H -0.109250 0.768054 0.352434 0.103 Uiso 1 1 calc R U . . .
H67B H -0.096154 0.665354 0.323781 0.103 Uiso 1 1 calc R U . . .
C68 C -0.06580(18) 0.7219(10) 0.3884(4) 0.130(4) Uani 1 1 d . U . . .
H68A H -0.067660 0.760271 0.422649 0.156 Uiso 1 1 calc R U . . .
H68B H -0.055031 0.652709 0.397190 0.156 Uiso 1 1 calc R U . . .
C69 C -0.04683(18) 0.7905(10) 0.3533(4) 0.125(4) Uani 1 1 d . U . . .
H69A H -0.058236 0.857168 0.341728 0.150 Uiso 1 1 calc R U . . .
H69B H -0.027131 0.811498 0.374295 0.150 Uiso 1 1 calc R U . . .
C70 C -0.0406(2) 0.7248(9) 0.3039(3) 0.112(3) Uani 1 1 d . U . . .
H70A H -0.033607 0.772989 0.276711 0.167 Uiso 1 1 calc R U . . .
H70B H -0.059578 0.688402 0.288799 0.167 Uiso 1 1 calc R U . . .
H70C H -0.024721 0.670726 0.314571 0.167 Uiso 1 1 calc R U . . .
C71B C -0.1101(3) 0.5041(6) 0.3962(3) 0.064(3) Uani 0.615(8) 1 d D U P A 2
H71C H -0.088610 0.497318 0.413450 0.076 Uiso 0.615(8) 1 calc R U P A 2
H71D H -0.123551 0.472177 0.421157 0.076 Uiso 0.615(8) 1 calc R U P A 2
C71A C -0.0967(4) 0.5314(12) 0.4048(5) 0.064(3) Uani 0.385(8) 1 d D U P A 1
H71A H -0.107010 0.478956 0.426682 0.076 Uiso 0.385(8) 1 calc R U P A 1
H71B H -0.077811 0.557125 0.426681 0.076 Uiso 0.385(8) 1 calc R U P A 1
C72A C -0.0882(5) 0.4756(11) 0.3530(5) 0.074(3) Uani 0.385(8) 1 d D U P A 1
H72A H -0.069707 0.509299 0.340840 0.088 Uiso 0.385(8) 1 calc R U P A 1
H72B H -0.105382 0.481122 0.323536 0.088 Uiso 0.385(8) 1 calc R U P A 1
C72B C -0.1133(3) 0.4368(7) 0.3446(4) 0.074(3) Uani 0.615(8) 1 d D U P A 2
H72C H -0.100975 0.469995 0.318040 0.088 Uiso 0.615(8) 1 calc R U P A 2
H72D H -0.135051 0.435850 0.328694 0.088 Uiso 0.615(8) 1 calc R U P A 2
C73B C -0.1019(2) 0.3173(7) 0.3567(5) 0.078(4) Uani 0.615(8) 1 d D U P A 2
H73C H -0.109459 0.289473 0.389929 0.093 Uiso 0.615(8) 1 calc R U P A 2
H73D H -0.109068 0.268810 0.326236 0.093 Uiso 0.615(8) 1 calc R U P A 2
C73A C -0.0819(5) 0.3555(11) 0.3688(7) 0.080(5) Uani 0.385(8) 1 d D U P A 1
H73A H -0.069975 0.351453 0.405008 0.096 Uiso 0.385(8) 1 calc R U P A 1
H73B H -0.101563 0.316900 0.370059 0.096 Uiso 0.385(8) 1 calc R U P A 1
C74B C -0.0664(2) 0.3258(14) 0.3639(6) 0.114(5) Uani 0.615(8) 1 d D U P A 2
H74D H -0.059781 0.374292 0.336428 0.171 Uiso 0.615(8) 1 calc R U P A 2
H74E H -0.057425 0.254069 0.360080 0.171 Uiso 0.615(8) 1 calc R U P A 2
H74F H -0.059380 0.354499 0.399914 0.171 Uiso 0.615(8) 1 calc R U P A 2
C74A C -0.0637(7) 0.3024(18) 0.3271(10) 0.155(10) Uani 0.385(8) 1 d D U P A 1
H74A H -0.075899 0.304025 0.291613 0.233 Uiso 0.385(8) 1 calc R U P A 1
H74B H -0.059122 0.227319 0.337606 0.233 Uiso 0.385(8) 1 calc R U P A 1
H74C H -0.044413 0.341789 0.325490 0.233 Uiso 0.385(8) 1 calc R U P A 1


_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
Sb1 F17 2.128(2) . ?
Sb1 O1 2.064(3) . ?
Sb1 O2 2.064(3) . ?
Sb1 C1 2.150(4) . ?
Sb1 C7 2.146(5) . ?
Sb1 C13 2.126(5) . ?
Sb2 F17 2.140(2) . ?
Sb2 O3 2.060(3) . ?
Sb2 O4 2.066(3) . ?
Sb2 C2 2.143(4) . ?
Sb2 C33 2.138(4) . ?
Sb2 C39 2.125(5) . ?
Sb2 C58B 2.66(6) . ?
F1B C19B 1.30(3) . ?
F2B C20B 1.31(3) . ?
F3B C21B 1.35(2) . ?
F4B C22B 1.35(2) . ?
F5B C28B 1.33(3) . ?
F6B C27B 1.36(2) . ?
F7B C26B 1.35(3) . ?
F8B C25B 1.35(3) . ?
C19B C20B 1.43(2) . ?
C19B C24B 1.38(3) . ?
C20B C21B 1.35(3) . ?
C21B C22B 1.38(3) . ?
C22B C23B 1.40(2) . ?
C23B C24B 1.40(2) . ?
C23B C29B 1.47(2) . ?
C25B C26B 1.40(3) . ?
C25B C30B 1.38(3) . ?
C26B C27B 1.38(3) . ?
C27B C28B 1.37(3) . ?
C28B C29B 1.40(2) . ?
C29B C30B 1.41(2) . ?
F1A C19A 1.353(10) . ?
F2A C20A 1.341(9) . ?
F3A C21A 1.341(8) . ?
F4A C22A 1.344(9) . ?
F5A C28A 1.337(9) . ?
F6A C27A 1.347(9) . ?
F7A C26A 1.344(9) . ?
F8A C25A 1.334(9) . ?
C19A C20A 1.368(12) . ?
C19A C24A 1.392(12) . ?
C20A C21A 1.382(11) . ?
C21A C22A 1.360(12) . ?
C22A C23A 1.399(10) . ?
C23A C24A 1.426(9) . ?
C23A C29A 1.471(10) . ?
C25A C26A 1.372(9) . ?
C25A C30A 1.411(9) . ?
C26A C27A 1.360(12) . ?
C27A C28A 1.368(12) . ?
C28A C29A 1.389(9) . ?
C29A C30A 1.424(9) . ?
F9B C45B 1.34(2) . ?
F10B C46B 1.32(2) . ?
F11B C47B 1.338(19) . ?
F12B C48B 1.411(18) . ?
F13B C54B 1.33(2) . ?
F14B C53B 1.345(18) . ?
F15B C52B 1.35(2) . ?
F16B C51B 1.34(2) . ?
C45B C46B 1.3900 . ?
C45B C50B 1.3900 . ?
C46B C47B 1.3900 . ?
C47B C48B 1.3900 . ?
C48B C49B 1.3900 . ?
C49B C50B 1.3900 . ?
C49B C55B 1.527(16) . ?
C50B C58B 1.58(5) . ?
C51B C52B 1.3900 . ?
C51B C56B 1.3900 . ?
C52B C53B 1.3900 . ?
C53B C54B 1.3900 . ?
C54B C55B 1.3900 . ?
C55B C56B 1.3900 . ?
C56B C57B 1.30(5) . ?
F9A C45A 1.317(12) . ?
F10A C46A 1.334(13) . ?
F11A C47A 1.334(11) . ?
F12A C48A 1.374(13) . ?
F13A C54A 1.357(13) . ?
F14A C53A 1.340(12) . ?
F15A C52A 1.346(14) . ?
F16A C51A 1.322(17) . ?
C45A C46A 1.3900 . ?
C45A C50A 1.3900 . ?
C46A C47A 1.3900 . ?
C47A C48A 1.3900 . ?
C48A C49A 1.3900 . ?
C49A C50A 1.3900 . ?
C49A C55A 1.496(10) . ?
C50A C58A 1.38(3) . ?
C51A C52A 1.3900 . ?
C51A C56A 1.3900 . ?
C52A C53A 1.3900 . ?
C53A C54A 1.3900 . ?
C54A C55A 1.3900 . ?
C55A C56A 1.3900 . ?
C56A C57A 1.51(4) . ?
F9D C45D 1.320(15) . ?
F10D C46D 1.340(15) . ?
F11D C47D 1.353(13) . ?
F12D C48D 1.333(16) . ?
F13D C54D 1.384(17) . ?
F14D C53D 1.317(16) . ?
F15D C52D 1.35(2) . ?
F16D C51D 1.36(2) . ?
O1 C28 1.328(6) . ?
O2 C27 1.340(6) . ?
O3 C57A 1.355(8) . ?
O3 C57D 1.358(8) . ?
O3 C57B 1.347(9) . ?
O4 C58D 1.344(8) . ?
O4 C58B 1.349(9) . ?
O4 C58A 1.341(8) . ?
N155 C59 1.553(8) . ?
N155 C63 1.479(8) . ?
N155 C67 1.517(8) . ?
N155 C71B 1.538(8) . ?
N155 C71A 1.498(9) . ?
C1 C2 1.403(6) . ?
C1 C6 1.384(6) . ?
C2 C3 1.388(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.368(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(7) . ?
C7 C12 1.380(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.399(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.368(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.348(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.399(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(8) . ?
C13 C18 1.383(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.426(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.357(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.333(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(8) . ?
C18 H18 0.9500 . ?
C27 C30B 1.62(3) . ?
C27 C30A 1.414(8) . ?
C27 C28 1.359(7) . ?
C28 C24B 1.40(2) . ?
C28 C24A 1.457(8) . ?
C33 C34 1.379(7) . ?
C33 C38 1.389(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.375(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.348(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.394(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.391(7) . ?
C39 C44 1.372(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.374(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.371(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.355(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.398(8) . ?
C44 H44 0.9500 . ?
C45D C46D 1.3900 . ?
C45D C50D 1.3900 . ?
C46D C47D 1.3900 . ?
C47D C48D 1.3900 . ?
C48D C49D 1.3900 . ?
C49D C50D 1.3900 . ?
C49D C55D 1.520(13) . ?
C50D C58D 1.53(5) . ?
C51D C52D 1.3900 . ?
C51D C56D 1.3900 . ?
C52D C53D 1.3900 . ?
C53D C54D 1.3900 . ?
C54D C55D 1.3900 . ?
C55D C56D 1.3900 . ?
C56D C57D 1.44(5) . ?
C57A C58A 1.47(6) . ?
C57D C58D 1.17(7) . ?
C57B C58B 1.46(7) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.526(10) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.553(10) . ?
C61 H61 0.9500 . ?
C61 C62 1.399(13) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.523(10) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.588(12) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.425(11) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C68 1.547(11) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C69 1.532(12) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.527(12) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71B H71C 0.9900 . ?
C71B H71D 0.9900 . ?
C71B C72B 1.525(7) . ?
C71A H71A 0.9900 . ?
C71A H71B 0.9900 . ?
C71A C72A 1.549(9) . ?
C72A H72A 0.9900 . ?
C72A H72B 0.9900 . ?
C72A C73A 1.555(9) . ?
C72B H72C 0.9900 . ?
C72B H72D 0.9900 . ?
C72B C73B 1.579(8) . ?
C73B H73C 0.9900 . ?
C73B H73D 0.9900 . ?
C73B C74B 1.548(9) . ?
C73A H73A 0.9900 . ?
C73A H73B 0.9900 . ?
C73A C74A 1.528(9) . ?
C74B H74D 0.9800 . ?
C74B H74E 0.9800 . ?
C74B H74F 0.9800 . ?
C74A H74A 0.9800 . ?
C74A H74B 0.9800 . ?
C74A H74C 0.9800 . ?

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
F17 Sb1 C1 82.62(13) . . ?
F17 Sb1 C7 172.44(15) . . ?
O1 Sb1 F17 76.53(11) . . ?
O1 Sb1 O2 77.79(13) . . ?
O1 Sb1 C1 156.31(15) . . ?
O1 Sb1 C7 98.47(15) . . ?
O1 Sb1 C13 88.37(19) . . ?
O2 Sb1 F17 83.81(12) . . ?
O2 Sb1 C1 89.00(16) . . ?
O2 Sb1 C7 89.61(16) . . ?
O2 Sb1 C13 165.38(19) . . ?
C7 Sb1 C1 101.05(17) . . ?
C13 Sb1 F17 88.44(15) . . ?
C13 Sb1 C1 102.3(2) . . ?
C13 Sb1 C7 97.15(18) . . ?
F17 Sb2 C2 82.85(14) . . ?
F17 Sb2 C58B 70.0(18) . . ?
O3 Sb2 F17 79.04(11) . . ?
O3 Sb2 O4 76.67(15) . . ?
O3 Sb2 C2 157.36(15) . . ?
O3 Sb2 C33 95.13(15) . . ?
O3 Sb2 C39 88.85(17) . . ?
O3 Sb2 C58B 48.3(9) . . ?
O4 Sb2 F17 81.48(12) . . ?
O4 Sb2 C2 87.36(16) . . ?
O4 Sb2 C33 92.05(16) . . ?
O4 Sb2 C39 161.61(17) . . ?
O4 Sb2 C58B 29.9(11) . . ?
C2 Sb2 C58B 112.3(10) . . ?
C33 Sb2 F17 172.11(14) . . ?
C33 Sb2 C2 101.45(17) . . ?
C33 Sb2 C58B 102.1(18) . . ?
C39 Sb2 F17 84.70(14) . . ?
C39 Sb2 C2 102.94(19) . . ?
C39 Sb2 C33 100.61(18) . . ?
C39 Sb2 C58B 132.7(12) . . ?
F1B C19B C20B 114(2) . . ?
F1B C19B C24B 126(2) . . ?
C24B C19B C20B 120.3(19) . . ?
F2B C20B C19B 118(2) . . ?
F2B C20B C21B 124(2) . . ?
C21B C20B C19B 117.9(19) . . ?
F3B C21B C22B 118(2) . . ?
C20B C21B F3B 119(2) . . ?
C20B C21B C22B 122.3(19) . . ?
F4B C22B C21B 116.9(18) . . ?
F4B C22B C23B 122.3(19) . . ?
C21B C22B C23B 120.7(18) . . ?
C22B C23B C24B 118.1(18) . . ?
C22B C23B C29B 123.0(19) . . ?
C24B C23B C29B 118.7(18) . . ?
C19B C24B C23B 120(2) . . ?
C19B C24B C28 105.4(17) . . ?
C23B C24B C28 134.0(18) . . ?
F8B C25B C26B 115(2) . . ?
F8B C25B C30B 125(2) . . ?
C30B C25B C26B 120(2) . . ?
F7B C26B C25B 119(2) . . ?
F7B C26B C27B 123(2) . . ?
C27B C26B C25B 118(2) . . ?
F6B C27B C26B 117(2) . . ?
F6B C27B C28B 120(2) . . ?
C28B C27B C26B 122(2) . . ?
F5B C28B C27B 117(2) . . ?
F5B C28B C29B 123(2) . . ?
C27B C28B C29B 120(2) . . ?
C28B C29B C23B 123.2(19) . . ?
C28B C29B C30B 117.4(18) . . ?
C30B C29B C23B 119.3(19) . . ?
C25B C30B C29B 122(2) . . ?
C25B C30B C27 132.2(18) . . ?
C29B C30B C27 106.1(16) . . ?
F1A C19A C20A 115.3(9) . . ?
F1A C19A C24A 121.6(8) . . ?
C20A C19A C24A 123.1(8) . . ?
F2A C20A C19A 121.6(8) . . ?
F2A C20A C21A 119.9(7) . . ?
C19A C20A C21A 118.4(8) . . ?
F3A C21A C20A 119.4(8) . . ?
F3A C21A C22A 120.3(8) . . ?
C22A C21A C20A 120.3(7) . . ?
F4A C22A C21A 116.1(7) . . ?
F4A C22A C23A 121.3(8) . . ?
C21A C22A C23A 122.5(7) . . ?
C22A C23A C24A 117.0(7) . . ?
C22A C23A C29A 124.7(7) . . ?
C24A C23A C29A 118.2(6) . . ?
C19A C24A C23A 118.0(7) . . ?
C19A C24A C28 124.4(6) . . ?
C23A C24A C28 117.3(6) . . ?
F8A C25A C26A 117.3(7) . . ?
F8A C25A C30A 121.5(6) . . ?
C26A C25A C30A 121.2(7) . . ?
F7A C26A C25A 120.0(8) . . ?
F7A C26A C27A 120.0(7) . . ?
C27A C26A C25A 119.9(8) . . ?
F6A C27A C26A 119.5(9) . . ?
F6A C27A C28A 119.3(9) . . ?
C26A C27A C28A 121.1(7) . . ?
F5A C28A C27A 116.4(7) . . ?
F5A C28A C29A 122.1(8) . . ?
C27A C28A C29A 121.2(8) . . ?
C28A C29A C23A 123.8(7) . . ?
C28A C29A C30A 118.5(7) . . ?
C30A C29A C23A 117.7(6) . . ?
C25A C30A C29A 118.0(6) . . ?
C25A C30A C27 119.7(6) . . ?
C27 C30A C29A 121.9(6) . . ?
F9B C45B C46B 114.4(16) . . ?
F9B C45B C50B 125.5(15) . . ?
C46B C45B C50B 120.0 . . ?
F10B C46B C45B 118.3(14) . . ?
F10B C46B C47B 121.7(14) . . ?
C45B C46B C47B 120.0 . . ?
F11B C47B C46B 115.2(15) . . ?
F11B C47B C48B 124.8(15) . . ?
C48B C47B C46B 120.0 . . ?
C47B C48B F12B 121.0(12) . . ?
C49B C48B F12B 118.2(12) . . ?
C49B C48B C47B 120.0 . . ?
C48B C49B C50B 120.0 . . ?
C48B C49B C55B 121.9(10) . . ?
C50B C49B C55B 116.6(10) . . ?
C45B C50B C58B 112(2) . . ?
C49B C50B C45B 120.0 . . ?
C49B C50B C58B 126.9(18) . . ?
F16B C51B C52B 115.4(13) . . ?
F16B C51B C56B 124.6(13) . . ?
C52B C51B C56B 120.0 . . ?
F15B C52B C51B 120.1(13) . . ?
F15B C52B C53B 119.8(13) . . ?
C51B C52B C53B 120.0 . . ?
F14B C53B C52B 118.4(15) . . ?
F14B C53B C54B 120.9(14) . . ?
C54B C53B C52B 120.0 . . ?
F13B C54B C53B 113.6(15) . . ?
F13B C54B C55B 123.9(15) . . ?
C53B C54B C55B 120.0 . . ?
C54B C55B C49B 121.1(10) . . ?
C56B C55B C49B 116.5(11) . . ?
C56B C55B C54B 120.0 . . ?
C55B C56B C51B 120.0 . . ?
C57B C56B C51B 131.3(15) . . ?
C57B C56B C55B 108.6(16) . . ?
F9A C45A C46A 117.1(9) . . ?
F9A C45A C50A 122.7(9) . . ?
C46A C45A C50A 120.0 . . ?
F10A C46A C45A 120.6(8) . . ?
F10A C46A C47A 119.3(8) . . ?
C47A C46A C45A 120.0 . . ?
F11A C47A C46A 118.1(9) . . ?
F11A C47A C48A 121.9(9) . . ?
C46A C47A C48A 120.0 . . ?
F12A C48A C47A 115.1(9) . . ?
F12A C48A C49A 122.8(9) . . ?
C47A C48A C49A 120.0 . . ?
C48A C49A C50A 120.0 . . ?
C48A C49A C55A 120.7(6) . . ?
C50A C49A C55A 119.2(6) . . ?
C49A C50A C45A 120.0 . . ?
C58A C50A C45A 113.0(12) . . ?
C58A C50A C49A 126.3(13) . . ?
F16A C51A C52A 115.1(11) . . ?
F16A C51A C56A 124.8(11) . . ?
C52A C51A C56A 120.0 . . ?
F15A C52A C51A 119.7(9) . . ?
F15A C52A C53A 120.2(9) . . ?
C53A C52A C51A 120.0 . . ?
F14A C53A C52A 118.9(9) . . ?
F14A C53A C54A 120.7(9) . . ?
C52A C53A C54A 120.0 . . ?
F13A C54A C53A 114.3(9) . . ?
F13A C54A C55A 121.7(8) . . ?
C53A C54A C55A 120.0 . . ?
C54A C55A C49A 122.5(7) . . ?
C56A C55A C49A 117.3(7) . . ?
C56A C55A C54A 120.0 . . ?
C51A C56A C57A 120.2(11) . . ?
C55A C56A C51A 120.0 . . ?
C55A C56A C57A 119.8(11) . . ?
Sb1 F17 Sb2 126.30(12) . . ?
C28 O1 Sb1 111.0(3) . . ?
C27 O2 Sb1 111.5(3) . . ?
C57A O3 Sb2 111.7(19) . . ?
C57D O3 Sb2 105(2) . . ?
C57B O3 Sb2 122(2) . . ?
C58D O4 Sb2 109(2) . . ?
C58B O4 Sb2 100(3) . . ?
C58A O4 Sb2 118.4(15) . . ?
C63 N155 C59 108.6(5) . . ?
C63 N155 C67 105.8(4) . . ?
C63 N155 C71B 103.6(6) . . ?
C63 N155 C71A 129.3(9) . . ?
C67 N155 C59 108.8(6) . . ?
C67 N155 C71B 120.4(7) . . ?
C71B N155 C59 108.9(5) . . ?
C71A N155 C59 100.1(6) . . ?
C71A N155 C67 102.9(9) . . ?
C2 C1 Sb1 124.3(3) . . ?
C6 C1 Sb1 117.2(3) . . ?
C6 C1 C2 118.4(4) . . ?
C1 C2 Sb2 123.8(3) . . ?
C3 C2 Sb2 116.6(3) . . ?
C3 C2 C1 119.6(4) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(5) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.3(5) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.1(5) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.1 . . ?
C5 C6 C1 121.7(5) . . ?
C5 C6 H6 119.1 . . ?
C8 C7 Sb1 120.9(4) . . ?
C12 C7 Sb1 120.0(4) . . ?
C12 C7 C8 118.9(5) . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.5(6) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.4(6) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.7(6) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.6(6) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 119.8(5) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 Sb1 122.5(4) . . ?
C18 C13 Sb1 119.0(4) . . ?
C18 C13 C14 118.1(5) . . ?
C13 C14 H14 120.6 . . ?
C13 C14 C15 118.8(7) . . ?
C15 C14 H14 120.6 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.5(8) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.5(7) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(8) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 H18 119.2 . . ?
C17 C18 C13 121.5(7) . . ?
C17 C18 H18 119.2 . . ?
O2 C27 C30B 101.2(9) . . ?
O2 C27 C30A 125.1(5) . . ?
O2 C27 C28 117.5(4) . . ?
C28 C27 C30B 140.2(10) . . ?
C28 C27 C30A 117.3(5) . . ?
O1 C28 C24B 144.7(11) . . ?
O1 C28 C24A 119.2(5) . . ?
O1 C28 C27 117.2(4) . . ?
C27 C28 C24B 98.0(10) . . ?
C27 C28 C24A 123.0(5) . . ?
C34 C33 Sb2 121.5(3) . . ?
C34 C33 C38 119.1(4) . . ?
C38 C33 Sb2 119.4(4) . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0(5) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.1(6) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.2(5) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.7(6) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 C37 119.8(5) . . ?
C33 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C40 C39 Sb2 121.4(4) . . ?
C44 C39 Sb2 119.4(4) . . ?
C44 C39 C40 119.2(5) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 C39 120.2(6) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 120.2 . . ?
C42 C41 C40 119.6(6) . . ?
C42 C41 H41 120.2 . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.6(6) . . ?
C43 C42 H42 119.2 . . ?
C42 C43 H43 120.5 . . ?
C42 C43 C44 119.0(6) . . ?
C44 C43 H43 120.5 . . ?
C39 C44 C43 120.5(6) . . ?
C39 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
F9D C45D C46D 114.9(12) . . ?
F9D C45D C50D 125.0(12) . . ?
C46D C45D C50D 120.0 . . ?
F10D C46D C45D 121.3(10) . . ?
F10D C46D C47D 118.7(10) . . ?
C45D C46D C47D 120.0 . . ?
F11D C47D C46D 118.7(11) . . ?
F11D C47D C48D 121.0(11) . . ?
C48D C47D C46D 120.0 . . ?
F12D C48D C47D 113.9(11) . . ?
F12D C48D C49D 125.4(11) . . ?
C47D C48D C49D 120.0 . . ?
C48D C49D C50D 120.0 . . ?
C48D C49D C55D 124.6(8) . . ?
C50D C49D C55D 115.2(8) . . ?
C45D C50D C58D 129.7(10) . . ?
C49D C50D C45D 120.0 . . ?
C49D C50D C58D 110.3(10) . . ?
F16D C51D C52D 115.9(12) . . ?
F16D C51D C56D 124.1(12) . . ?
C52D C51D C56D 120.0 . . ?
F15D C52D C51D 118.4(12) . . ?
F15D C52D C53D 121.3(12) . . ?
C51D C52D C53D 120.0 . . ?
F14D C53D C52D 120.7(12) . . ?
F14D C53D C54D 119.2(12) . . ?
C52D C53D C54D 120.0 . . ?
F13D C54D C53D 118.4(11) . . ?
F13D C54D C55D 120.7(10) . . ?
C55D C54D C53D 120.0 . . ?
C54D C55D C49D 120.2(9) . . ?
C54D C55D C56D 120.0 . . ?
C56D C55D C49D 119.0(9) . . ?
C51D C56D C57D 117.7(15) . . ?
C55D C56D C51D 120.0 . . ?
C55D C56D C57D 120.7(14) . . ?
O3 C57A C56A 120(3) . . ?
O3 C57A C58A 119(3) . . ?
C58A C57A C56A 120.9(11) . . ?
O3 C57D C56D 123(4) . . ?
C58D C57D O3 126(4) . . ?
C58D C57D C56D 110.8(15) . . ?
C56B C57B O3 118(3) . . ?
C56B C57B C58B 151(2) . . ?
O3 C57B C58B 91(3) . . ?
O4 C58D C50D 105(3) . . ?
C57D C58D O4 116(4) . . ?
C57D C58D C50D 136(2) . . ?
C50B C58B Sb2 163(5) . . ?
O4 C58B Sb2 50(2) . . ?
O4 C58B C50B 127(4) . . ?
O4 C58B C57B 138(6) . . ?
C57B C58B Sb2 89(4) . . ?
C57B C58B C50B 93.5(11) . . ?
C50A C58A C57A 114.9(14) . . ?
O4 C58A C50A 135(3) . . ?
O4 C58A C57A 109(2) . . ?
N155 C59 H59A 108.0 . . ?
N155 C59 H59B 108.0 . . ?
H59A C59 H59B 107.3 . . ?
C60 C59 N155 117.0(5) . . ?
C60 C59 H59A 108.0 . . ?
C60 C59 H59B 108.0 . . ?
C59 C60 H60A 109.7 . . ?
C59 C60 H60B 109.7 . . ?
C59 C60 C61 109.9(6) . . ?
H60A C60 H60B 108.2 . . ?
C61 C60 H60A 109.7 . . ?
C61 C60 H60B 109.7 . . ?
C60 C61 H61 124.8 . . ?
C62 C61 C60 110.3(8) . . ?
C62 C61 H61 124.8 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N155 C63 H63A 108.1 . . ?
N155 C63 H63B 108.1 . . ?
N155 C63 C64 116.7(6) . . ?
H63A C63 H63B 107.3 . . ?
C64 C63 H63A 108.1 . . ?
C64 C63 H63B 108.1 . . ?
C63 C64 H64A 109.6 . . ?
C63 C64 H64B 109.6 . . ?
C63 C64 C65 110.5(6) . . ?
H64A C64 H64B 108.1 . . ?
C65 C64 H64A 109.6 . . ?
C65 C64 H64B 109.6 . . ?
C64 C65 H65A 110.5 . . ?
C64 C65 H65B 110.5 . . ?
H65A C65 H65B 108.7 . . ?
C66 C65 C64 106.3(8) . . ?
C66 C65 H65A 110.5 . . ?
C66 C65 H65B 110.5 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N155 C67 H67A 108.6 . . ?
N155 C67 H67B 108.6 . . ?
N155 C67 C68 114.4(6) . . ?
H67A C67 H67B 107.6 . . ?
C68 C67 H67A 108.6 . . ?
C68 C67 H67B 108.6 . . ?
C67 C68 H68A 109.3 . . ?
C67 C68 H68B 109.3 . . ?
H68A C68 H68B 108.0 . . ?
C69 C68 C67 111.4(7) . . ?
C69 C68 H68A 109.3 . . ?
C69 C68 H68B 109.3 . . ?
C68 C69 H69A 109.9 . . ?
C68 C69 H69B 109.9 . . ?
H69A C69 H69B 108.3 . . ?
C70 C69 C68 108.9(10) . . ?
C70 C69 H69A 109.9 . . ?
C70 C69 H69B 109.9 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N155 C71B H71C 108.1 . . ?
N155 C71B H71D 108.1 . . ?
H71C C71B H71D 107.3 . . ?
C72B C71B N155 116.8(6) . . ?
C72B C71B H71C 108.1 . . ?
C72B C71B H71D 108.1 . . ?
N155 C71A H71A 109.7 . . ?
N155 C71A H71B 109.7 . . ?
N155 C71A C72A 110.0(8) . . ?
H71A C71A H71B 108.2 . . ?
C72A C71A H71A 109.7 . . ?
C72A C71A H71B 109.7 . . ?
C71A C72A H72A 110.6 . . ?
C71A C72A H72B 110.6 . . ?
C71A C72A C73A 105.6(8) . . ?
H72A C72A H72B 108.8 . . ?
C73A C72A H72A 110.6 . . ?
C73A C72A H72B 110.6 . . ?
C71B C72B H72C 109.5 . . ?
C71B C72B H72D 109.5 . . ?
C71B C72B C73B 110.8(6) . . ?
H72C C72B H72D 108.1 . . ?
C73B C72B H72C 109.5 . . ?
C73B C72B H72D 109.5 . . ?
C72B C73B H73C 110.9 . . ?
C72B C73B H73D 110.9 . . ?
H73C C73B H73D 108.9 . . ?
C74B C73B C72B 104.4(8) . . ?
C74B C73B H73C 110.9 . . ?
C74B C73B H73D 110.9 . . ?
C72A C73A H73A 109.8 . . ?
C72A C73A H73B 109.8 . . ?
H73A C73A H73B 108.3 . . ?
C74A C73A C72A 109.3(10) . . ?
C74A C73A H73A 109.8 . . ?
C74A C73A H73B 109.8 . . ?
C73B C74B H74D 109.5 . . ?
C73B C74B H74E 109.5 . . ?
C73B C74B H74F 109.5 . . ?
H74D C74B H74E 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
C73A C74A H74A 109.5 . . ?
C73A C74A H74B 109.5 . . ?
C73A C74A H74C 109.5 . . ?
H74A C74A H74B 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?

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
Sb1 O1 C28 C24B 163(2) . . . . ?
Sb1 O1 C28 C24A 149.4(4) . . . . ?
Sb1 O1 C28 C27 -22.1(5) . . . . ?
Sb1 O2 C27 C30B 179.4(13) . . . . ?
Sb1 O2 C27 C30A -174.4(4) . . . . ?
Sb1 O2 C27 C28 8.5(5) . . . . ?
Sb1 C1 C2 Sb2 -2.5(6) . . . . ?
Sb1 C1 C2 C3 178.5(4) . . . . ?
Sb1 C1 C6 C5 -179.0(5) . . . . ?
Sb1 C7 C8 C9 -178.1(5) . . . . ?
Sb1 C7 C12 C11 175.6(5) . . . . ?
Sb1 C13 C14 C15 -170.9(4) . . . . ?
Sb1 C13 C18 C17 171.3(4) . . . . ?
Sb2 O3 C57A C56A 150(3) . . . . ?
Sb2 O3 C57A C58A -22(6) . . . . ?
Sb2 O3 C57D C56D 158(5) . . . . ?
Sb2 O3 C57D C58D -14(8) . . . . ?
Sb2 O3 C57B C56B 144(3) . . . . ?
Sb2 O3 C57B C58B -34(5) . . . . ?
Sb2 O4 C58D C50D -171.4(17) . . . . ?
Sb2 O4 C58D C57D 25(5) . . . . ?
Sb2 O4 C58B C50B -159(6) . . . . ?
Sb2 O4 C58B C57B 4(10) . . . . ?
Sb2 O4 C58A C50A -153(3) . . . . ?
Sb2 O4 C58A C57A 12(4) . . . . ?
Sb2 C2 C3 C4 -177.6(5) . . . . ?
Sb2 C33 C34 C35 178.3(4) . . . . ?
Sb2 C33 C38 C37 -178.0(4) . . . . ?
Sb2 C39 C40 C41 -178.7(4) . . . . ?
Sb2 C39 C44 C43 177.7(4) . . . . ?
F1B C19B C20B F2B 1(5) . . . . ?
F1B C19B C20B C21B -174(4) . . . . ?
F1B C19B C24B C23B 178(4) . . . . ?
F1B C19B C24B C28 5(5) . . . . ?
F2B C20B C21B F3B 1(6) . . . . ?
F2B C20B C21B C22B -179(3) . . . . ?
F3B C21B C22B F4B -4(5) . . . . ?
F3B C21B C22B C23B 179(3) . . . . ?
F4B C22B C23B C24B -171(3) . . . . ?
F4B C22B C23B C29B 4(5) . . . . ?
F5B C28B C29B C23B 3(6) . . . . ?
F5B C28B C29B C30B -173(3) . . . . ?
F6B C27B C28B F5B 3(6) . . . . ?
F6B C27B C28B C29B 179(3) . . . . ?
F7B C26B C27B F6B -7(5) . . . . ?
F7B C26B C27B C28B -179(4) . . . . ?
F8B C25B C26B F7B 4(6) . . . . ?
F8B C25B C26B C27B -179(4) . . . . ?
F8B C25B C30B C29B -178(4) . . . . ?
F8B C25B C30B C27 4(8) . . . . ?
C19B C20B C21B F3B 175(3) . . . . ?
C19B C20B C21B C22B -5(6) . . . . ?
C20B C19B C24B C23B -3(5) . . . . ?
C20B C19B C24B C28 -176(3) . . . . ?
C20B C21B C22B F4B 175(3) . . . . ?
C20B C21B C22B C23B -2(6) . . . . ?
C21B C22B C23B C24B 6(5) . . . . ?
C21B C22B C23B C29B -179(3) . . . . ?
C22B C23B C24B C19B -4(5) . . . . ?
C22B C23B C24B C28 167(3) . . . . ?
C22B C23B C29B C28B 26(6) . . . . ?
C22B C23B C29B C30B -158(3) . . . . ?
C23B C29B C30B C25B 174(4) . . . . ?
C23B C29B C30B C27 -8(4) . . . . ?
C24B C19B C20B F2B -179(3) . . . . ?
C24B C19B C20B C21B 7(5) . . . . ?
C24B C23B C29B C28B -160(3) . . . . ?
C24B C23B C29B C30B 17(5) . . . . ?
C25B C26B C27B F6B 177(4) . . . . ?
C25B C26B C27B C28B 5(6) . . . . ?
C26B C25B C30B C29B 6(7) . . . . ?
C26B C25B C30B C27 -171(3) . . . . ?
C26B C27B C28B F5B 175(3) . . . . ?
C26B C27B C28B C29B -8(6) . . . . ?
C27B C28B C29B C23B -173(4) . . . . ?
C27B C28B C29B C30B 11(5) . . . . ?
C28B C29B C30B C25B -10(6) . . . . ?
C28B C29B C30B C27 168(3) . . . . ?
C29B C23B C24B C19B -179(3) . . . . ?
C29B C23B C24B C28 -8(6) . . . . ?
C30B C25B C26B F7B -180(4) . . . . ?
C30B C25B C26B C27B -3(7) . . . . ?
C30B C27 C28 C24B 20(3) . . . . ?
C30B C27 C28 O1 -157(2) . . . . ?
F1A C19A C20A F2A 5.7(15) . . . . ?
F1A C19A C20A C21A -172.5(8) . . . . ?
F1A C19A C24A C23A 177.4(9) . . . . ?
F1A C19A C24A C28 3.0(16) . . . . ?
F2A C20A C21A F3A -3.8(11) . . . . ?
F2A C20A C21A C22A 178.7(7) . . . . ?
F3A C21A C22A F4A -4.7(11) . . . . ?
F3A C21A C22A C23A 178.8(7) . . . . ?
F4A C22A C23A C24A -167.6(6) . . . . ?
F4A C22A C23A C29A 10.0(11) . . . . ?
F5A C28A C29A C23A 6.9(11) . . . . ?
F5A C28A C29A C30A -170.2(6) . . . . ?
F6A C27A C28A F5A -2.8(11) . . . . ?
F6A C27A C28A C29A -177.2(7) . . . . ?
F7A C26A C27A F6A -2.2(12) . . . . ?
F7A C26A C27A C28A -178.4(7) . . . . ?
F8A C25A C26A F7A 1.0(10) . . . . ?
F8A C25A C26A C27A -175.7(7) . . . . ?
F8A C25A C30A C29A 178.5(6) . . . . ?
F8A C25A C30A C27 5.7(10) . . . . ?
C19A C20A C21A F3A 174.4(8) . . . . ?
C19A C20A C21A C22A -3.0(13) . . . . ?
C20A C19A C24A C23A 0.3(15) . . . . ?
C20A C19A C24A C28 -174.1(8) . . . . ?
C20A C21A C22A F4A 172.7(7) . . . . ?
C20A C21A C22A C23A -3.8(12) . . . . ?
C21A C22A C23A C24A 8.7(11) . . . . ?
C21A C22A C23A C29A -173.7(7) . . . . ?
C22A C23A C24A C19A -6.8(10) . . . . ?
C22A C23A C24A C28 168.0(6) . . . . ?
C22A C23A C29A C28A 24.1(10) . . . . ?
C22A C23A C29A C30A -158.8(7) . . . . ?
C23A C29A C30A C25A 178.6(6) . . . . ?
C23A C29A C30A C27 -8.7(10) . . . . ?
C24A C19A C20A F2A -177.0(8) . . . . ?
C24A C19A C20A C21A 4.7(15) . . . . ?
C24A C23A C29A C28A -158.4(7) . . . . ?
C24A C23A C29A C30A 18.8(9) . . . . ?
C25A C26A C27A F6A 174.5(7) . . . . ?
C25A C26A C27A C28A -1.8(13) . . . . ?
C26A C25A C30A C29A 1.5(10) . . . . ?
C26A C25A C30A C27 -171.3(7) . . . . ?
C26A C27A C28A F5A 173.5(7) . . . . ?
C26A C27A C28A C29A -1.0(12) . . . . ?
C27A C28A C29A C23A -179.0(7) . . . . ?
C27A C28A C29A C30A 3.9(11) . . . . ?
C28A C29A C30A C25A -4.1(10) . . . . ?
C28A C29A C30A C27 168.6(6) . . . . ?
C29A C23A C24A C19A 175.5(8) . . . . ?
C29A C23A C24A C28 -9.7(8) . . . . ?
C30A C25A C26A F7A 178.1(6) . . . . ?
C30A C25A C26A C27A 1.4(12) . . . . ?
C30A C27 C28 C24A 20.9(8) . . . . ?
C30A C27 C28 O1 -168.0(5) . . . . ?
F9B C45B C46B F10B 5(3) . . . . ?
F9B C45B C46B C47B -176(3) . . . . ?
F9B C45B C50B C49B 175(3) . . . . ?
F9B C45B C50B C58B 5(5) . . . . ?
F10B C46B C47B F11B 0(3) . . . . ?
F10B C46B C47B C48B 179(3) . . . . ?
F11B C47B C48B F12B -12(3) . . . . ?
F11B C47B C48B C49B 179(3) . . . . ?
F12B C48B C49B C50B -170(2) . . . . ?
F12B C48B C49B C55B 25(2) . . . . ?
F13B C54B C55B C49B 37(3) . . . . ?
F13B C54B C55B C56B -161(3) . . . . ?
F14B C53B C54B F13B -8(3) . . . . ?
F14B C53B C54B C55B -170(3) . . . . ?
F15B C52B C53B F14B -6(3) . . . . ?
F15B C52B C53B C54B -176(3) . . . . ?
F16B C51B C52B F15B -6(3) . . . . ?
F16B C51B C52B C53B 178(3) . . . . ?
F16B C51B C56B C55B -178(3) . . . . ?
F16B C51B C56B C57B 6(5) . . . . ?
C45B C46B C47B F11B -179(2) . . . . ?
C45B C46B C47B C48B 0.0 . . . . ?
C45B C50B C58B Sb2 -87(12) . . . . ?
C45B C50B C58B O4 -15(8) . . . . ?
C45B C50B C58B C57B 176(4) . . . . ?
C46B C45B C50B C49B 0.0 . . . . ?
C46B C45B C50B C58B -170(4) . . . . ?
C46B C47B C48B F12B 169(2) . . . . ?
C46B C47B C48B C49B 0.0 . . . . ?
C47B C48B C49B C50B 0.0 . . . . ?
C47B C48B C49B C55B -165(2) . . . . ?
C48B C49B C50B C45B 0.0 . . . . ?
C48B C49B C50B C58B 169(4) . . . . ?
C48B C49B C55B C54B 1(3) . . . . ?
C48B C49B C55B C56B -161.9(16) . . . . ?
C49B C50B C58B Sb2 103(9) . . . . ?
C49B C50B C58B O4 176(5) . . . . ?
C49B C50B C58B C57B 7(7) . . . . ?
C49B C55B C56B C51B 163(2) . . . . ?
C49B C55B C56B C57B -20(4) . . . . ?
C50B C45B C46B F10B -179(3) . . . . ?
C50B C45B C46B C47B 0.0 . . . . ?
C50B C49B C55B C54B -165.3(14) . . . . ?
C50B C49B C55B C56B 32(2) . . . . ?
C51B C52B C53B F14B 171(3) . . . . ?
C51B C52B C53B C54B 0.0 . . . . ?
C51B C56B C57B O3 0(7) . . . . ?
C51B C56B C57B C58B 175(10) . . . . ?
C52B C51B C56B C55B 0.0 . . . . ?
C52B C51B C56B C57B -176(4) . . . . ?
C52B C53B C54B F13B 163(3) . . . . ?
C52B C53B C54B C55B 0.0 . . . . ?
C53B C54B C55B C49B -162(2) . . . . ?
C53B C54B C55B C56B 0.0 . . . . ?
C54B C55B C56B C51B 0.0 . . . . ?
C54B C55B C56B C57B 177(3) . . . . ?
C55B C49B C50B C45B 166(2) . . . . ?
C55B C49B C50B C58B -25(5) . . . . ?
C55B C56B C57B O3 -176(4) . . . . ?
C55B C56B C57B C58B -1(13) . . . . ?
C56B C51B C52B F15B 176(3) . . . . ?
C56B C51B C52B C53B 0.0 . . . . ?
C56B C57B C58B Sb2 -154(11) . . . . ?
C56B C57B C58B C50B 9(14) . . . . ?
C56B C57B C58B O4 -158(8) . . . . ?
F9A C45A C46A F10A 6.3(15) . . . . ?
F9A C45A C46A C47A -175.2(15) . . . . ?
F9A C45A C50A C49A 175.0(16) . . . . ?
F9A C45A C50A C58A 4(2) . . . . ?
F10A C46A C47A F11A -4.8(12) . . . . ?
F10A C46A C47A C48A 178.5(11) . . . . ?
F11A C47A C48A F12A -12.4(12) . . . . ?
F11A C47A C48A C49A -176.6(12) . . . . ?
F12A C48A C49A C50A -162.9(11) . . . . ?
F12A C48A C49A C55A 19.5(13) . . . . ?
F13A C54A C55A C49A 28.7(16) . . . . ?
F13A C54A C55A C56A -156.3(14) . . . . ?
F14A C53A C54A F13A -14.6(15) . . . . ?
F14A C53A C54A C55A -172.6(15) . . . . ?
F15A C52A C53A F14A -11.9(18) . . . . ?
F15A C52A C53A C54A 175.4(17) . . . . ?
F16A C51A C52A F15A 7.8(19) . . . . ?
F16A C51A C52A C53A -176.8(17) . . . . ?
F16A C51A C56A C55A 176.4(19) . . . . ?
F16A C51A C56A C57A 0(3) . . . . ?
C45A C46A C47A F11A 176.7(12) . . . . ?
C45A C46A C47A C48A 0.0 . . . . ?
C45A C50A C58A O4 -21(4) . . . . ?
C45A C50A C58A C57A 174(3) . . . . ?
C46A C45A C50A C49A 0.0 . . . . ?
C46A C45A C50A C58A -171(2) . . . . ?
C46A C47A C48A F12A 164.2(11) . . . . ?
C46A C47A C48A C49A 0.0 . . . . ?
C47A C48A C49A C50A 0.0 . . . . ?
C47A C48A C49A C55A -177.6(12) . . . . ?
C48A C49A C50A C45A 0.0 . . . . ?
C48A C49A C50A C58A 170(2) . . . . ?
C48A C49A C55A C54A 7.2(15) . . . . ?
C48A C49A C55A C56A -167.9(8) . . . . ?
C49A C50A C58A O4 168(2) . . . . ?
C49A C50A C58A C57A 3(4) . . . . ?
C49A C55A C56A C51A 175.2(12) . . . . ?
C49A C55A C56A C57A -8(3) . . . . ?
C50A C45A C46A F10A -178.5(11) . . . . ?
C50A C45A C46A C47A 0.0 . . . . ?
C50A C49A C55A C54A -170.5(8) . . . . ?
C50A C49A C55A C56A 14.4(12) . . . . ?
C51A C52A C53A F14A 172.7(14) . . . . ?
C51A C52A C53A C54A 0.0 . . . . ?
C51A C56A C57A O3 4(6) . . . . ?
C51A C56A C57A C58A 176(3) . . . . ?
C52A C51A C56A C55A 0.0 . . . . ?
C52A C51A C56A C57A -177(3) . . . . ?
C52A C53A C54A F13A 158.0(13) . . . . ?
C52A C53A C54A C55A 0.0 . . . . ?
C53A C54A C55A C49A -175.0(13) . . . . ?
C53A C54A C55A C56A 0.0 . . . . ?
C54A C55A C56A C51A 0.0 . . . . ?
C54A C55A C56A C57A 177(3) . . . . ?
C55A C49A C50A C45A 177.7(12) . . . . ?
C55A C49A C50A C58A -12(2) . . . . ?
C55A C56A C57A O3 -173(3) . . . . ?
C55A C56A C57A C58A -1(6) . . . . ?
C56A C51A C52A F15A -175.4(16) . . . . ?
C56A C51A C52A C53A 0.0 . . . . ?
C56A C57A C58A C50A 4(6) . . . . ?
C56A C57A C58A O4 -165(4) . . . . ?
F9D C45D C46D F10D 2.5(18) . . . . ?
F9D C45D C46D C47D -178.3(18) . . . . ?
F9D C45D C50D C49D 178(2) . . . . ?
F9D C45D C50D C58D 0(3) . . . . ?
F10D C46D C47D F11D -6.3(15) . . . . ?
F10D C46D C47D C48D 179.2(14) . . . . ?
F11D C47D C48D F12D -3.3(14) . . . . ?
F11D C47D C48D C49D -174.3(14) . . . . ?
F12D C48D C49D C50D -170.0(15) . . . . ?
F12D C48D C49D C55D 14.6(17) . . . . ?
F13D C54D C55D C49D 21.5(17) . . . . ?
F13D C54D C55D C56D -169.0(16) . . . . ?
F14D C53D C54D F13D -6.0(17) . . . . ?
F14D C53D C54D C55D -175.3(17) . . . . ?
F15D C52D C53D F14D -11(2) . . . . ?
F15D C52D C53D C54D 174.1(18) . . . . ?
F16D C51D C52D F15D 3.0(18) . . . . ?
F16D C51D C52D C53D 177.2(17) . . . . ?
F16D C51D C56D C55D -177.0(19) . . . . ?
F16D C51D C56D C57D 17(4) . . . . ?
O1 C28 C24B C19B -21(4) . . . . ?
O1 C28 C24B C23B 167(3) . . . . ?
O1 C28 C24A C19A -7.2(10) . . . . ?
O1 C28 C24A C23A 178.4(5) . . . . ?
O2 C27 C30B C25B -3(5) . . . . ?
O2 C27 C30B C29B 179(2) . . . . ?
O2 C27 C30A C25A -15.3(9) . . . . ?
O2 C27 C30A C29A 172.2(5) . . . . ?
O2 C27 C28 C24B -173.6(14) . . . . ?
O2 C27 C28 C24A -161.8(5) . . . . ?
O2 C27 C28 O1 9.3(6) . . . . ?
O3 C57A C58A C50A 175(4) . . . . ?
O3 C57A C58A O4 7(6) . . . . ?
O3 C57D C58D O4 -8(9) . . . . ?
O3 C57D C58D C50D -164(4) . . . . ?
O3 C57B C58B Sb2 21(3) . . . . ?
O3 C57B C58B C50B -175(4) . . . . ?
O3 C57B C58B O4 18(10) . . . . ?
N155 C59 C60 C61 177.5(8) . . . . ?
N155 C63 C64 C65 164.6(6) . . . . ?
N155 C67 C68 C69 176.3(8) . . . . ?
N155 C71B C72B C73B 175.1(9) . . . . ?
N155 C71A C72A C73A -151.6(15) . . . . ?
C1 C2 C3 C4 1.5(8) . . . . ?
C2 C1 C6 C5 1.0(8) . . . . ?
C2 C3 C4 C5 -0.7(9) . . . . ?
C3 C4 C5 C6 0.2(10) . . . . ?
C4 C5 C6 C1 -0.3(10) . . . . ?
C6 C1 C2 Sb2 177.4(4) . . . . ?
C6 C1 C2 C3 -1.6(7) . . . . ?
C7 C8 C9 C10 3.0(10) . . . . ?
C8 C7 C12 C11 -0.9(8) . . . . ?
C8 C9 C10 C11 -1.9(11) . . . . ?
C9 C10 C11 C12 -0.6(11) . . . . ?
C10 C11 C12 C7 2.0(10) . . . . ?
C12 C7 C8 C9 -1.6(8) . . . . ?
C13 C14 C15 C16 -0.4(10) . . . . ?
C14 C13 C18 C17 -1.9(8) . . . . ?
C14 C15 C16 C17 -1.5(11) . . . . ?
C15 C16 C17 C18 1.7(11) . . . . ?
C16 C17 C18 C13 0.0(9) . . . . ?
C18 C13 C14 C15 2.1(8) . . . . ?
C27 C28 C24B C19B 164(2) . . . . ?
C27 C28 C24B C23B -8(4) . . . . ?
C27 C28 C24A C19A 163.8(8) . . . . ?
C27 C28 C24A C23A -10.6(8) . . . . ?
C28 C27 C30B C25B 164(4) . . . . ?
C28 C27 C30B C29B -14(4) . . . . ?
C28 C27 C30A C25A 161.8(6) . . . . ?
C28 C27 C30A C29A -10.7(9) . . . . ?
C33 C34 C35 C36 -0.5(8) . . . . ?
C34 C33 C38 C37 0.3(7) . . . . ?
C34 C35 C36 C37 0.9(9) . . . . ?
C35 C36 C37 C38 -0.6(10) . . . . ?
C36 C37 C38 C33 0.0(9) . . . . ?
C38 C33 C34 C35 0.0(7) . . . . ?
C39 C40 C41 C42 1.2(8) . . . . ?
C40 C39 C44 C43 -1.1(8) . . . . ?
C40 C41 C42 C43 -1.3(9) . . . . ?
C41 C42 C43 C44 0.3(9) . . . . ?
C42 C43 C44 C39 1.0(8) . . . . ?
C44 C39 C40 C41 0.0(7) . . . . ?
C45D C46D C47D F11D 174.5(13) . . . . ?
C45D C46D C47D C48D 0.0 . . . . ?
C45D C50D C58D O4 -2(4) . . . . ?
C45D C50D C58D C57D 156(6) . . . . ?
C46D C45D C50D C49D 0.0 . . . . ?
C46D C45D C50D C58D -178(3) . . . . ?
C46D C47D C48D F12D 171.1(14) . . . . ?
C46D C47D C48D C49D 0.0 . . . . ?
C47D C48D C49D C50D 0.0 . . . . ?
C47D C48D C49D C55D -175.4(14) . . . . ?
C48D C49D C50D C45D 0.0 . . . . ?
C48D C49D C50D C58D 179(2) . . . . ?
C48D C49D C55D C54D 10.2(17) . . . . ?
C48D C49D C55D C56D -159.4(10) . . . . ?
C49D C50D C58D O4 -180.0(18) . . . . ?
C49D C50D C58D C57D -22(7) . . . . ?
C49D C55D C56D C51D 169.6(14) . . . . ?
C49D C55D C56D C57D -25(4) . . . . ?
C50D C45D C46D F10D -179.2(15) . . . . ?
C50D C45D C46D C47D 0.0 . . . . ?
C50D C49D C55D C54D -165.4(9) . . . . ?
C50D C49D C55D C56D 25.0(13) . . . . ?
C51D C52D C53D F14D 175.2(17) . . . . ?
C51D C52D C53D C54D 0.0 . . . . ?
C51D C56D C57D O3 -4(7) . . . . ?
C51D C56D C57D C58D 168(4) . . . . ?
C52D C51D C56D C55D 0.0 . . . . ?
C52D C51D C56D C57D -166(4) . . . . ?
C52D C53D C54D F13D 169.3(15) . . . . ?
C52D C53D C54D C55D 0.0 . . . . ?
C53D C54D C55D C49D -169.4(14) . . . . ?
C53D C54D C55D C56D 0.0 . . . . ?
C54D C55D C56D C51D 0.0 . . . . ?
C54D C55D C56D C57D 165(4) . . . . ?
C55D C49D C50D C45D 175.8(12) . . . . ?
C55D C49D C50D C58D -6(2) . . . . ?
C55D C56D C57D O3 -170(4) . . . . ?
C55D C56D C57D C58D 2(7) . . . . ?
C56D C51D C52D F15D -174.2(18) . . . . ?
C56D C51D C52D C53D 0.0 . . . . ?
C56D C57D C58D O4 180(4) . . . . ?
C56D C57D C58D C50D 24(9) . . . . ?
C59 N155 C63 C64 -67.9(7) . . . . ?
C59 N155 C67 C68 55.4(9) . . . . ?
C59 N155 C71B C72B 168.5(9) . . . . ?
C59 N155 C71A C72A -173.8(13) . . . . ?
C59 C60 C61 C62 -166.6(10) . . . . ?
C63 N155 C59 C60 -54.0(9) . . . . ?
C63 N155 C67 C68 172.0(7) . . . . ?
C63 N155 C71B C72B 52.9(11) . . . . ?
C63 N155 C71A C72A 61.8(19) . . . . ?
C63 C64 C65 C66 -82.5(9) . . . . ?
C67 N155 C59 C60 60.8(9) . . . . ?
C67 N155 C63 C64 175.5(6) . . . . ?
C67 N155 C71B C72B -65.0(12) . . . . ?
C67 N155 C71A C72A -61.6(15) . . . . ?
C67 C68 C69 C70 -66.2(10) . . . . ?
C71B N155 C59 C60 -166.3(8) . . . . ?
C71B N155 C63 C64 47.9(8) . . . . ?
C71B N155 C67 C68 -71.2(10) . . . . ?
C71B C72B C73B C74B -76.2(13) . . . . ?
C71A N155 C59 C60 168.3(11) . . . . ?
C71A N155 C63 C64 53.2(11) . . . . ?
C71A N155 C67 C68 -50.2(10) . . . . ?
C71A C72A C73A C74A -162(2) . . . . ?

_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 0.000 0.060 0.250 125.4 38.3 ?
2 0.000 -0.060 0.750 125.4 38.3 ?
3 0.500 0.440 0.750 125.4 38.3 ?
4 0.500 0.560 0.250 125.4 38.3 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_i_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2071281'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-18 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-03-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            none
_chemical_name_systematic        none
_chemical_formula_moiety         'C58 H24 F16 O4 Sb2, 3(C H2 Cl2)'
_chemical_formula_sum            'C61 H30 Cl6 F16 O4 Sb2'
_chemical_formula_weight         1587.05
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.646(10)
_cell_length_b                   12.039(12)
_cell_length_c                   22.80(2)
_cell_angle_alpha                88.953(12)
_cell_angle_beta                 89.387(11)
_cell_angle_gamma                81.840(11)
_cell_volume                     2892(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9731
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.959
_shelx_estimated_absorpt_T_min   0.735
_exptl_absorpt_coefficient_mu    1.313
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.032
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            34288
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.384
_diffrn_reflns_theta_min         1.709
_diffrn_ambient_temperature      110.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11366
_reflns_number_total             13683
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         1.520
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     840
_refine_ls_number_reflns         13683
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0334
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0266P)²+3.8444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0729
_refine_ls_wR_factor_ref         0.0791
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Sof(Cl3B)=Sof(Cl4B)=1-FVAR(1)
 Sof(Cl3A)=Sof(Cl4A)=FVAR(1)
 Sof(Cl5B)=Sof(Cl6B)=1-FVAR(2)
 Sof(Cl5A)=Sof(Cl6A)=FVAR(2)
3.a Secondary CH2 refined with riding coordinates:
 C59(H59A,H59B), C60A(H60A,H60B), C61A(H61A,H61B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Sb1 Sb 0.31237(2) 0.82580(2) 0.28089(2) 0.01470(5) Uani 1 1 d . . . . .
Sb2 Sb 0.03917(2) 0.69621(2) 0.25088(2) 0.01515(5) Uani 1 1 d . . . . .
Cl1 Cl -0.33153(9) 1.36692(8) -0.00119(4) 0.0439(2) Uani 1 1 d . . . . .
Cl2 Cl -0.41187(10) 1.45469(9) -0.11801(4) 0.0526(3) Uani 1 1 d . . . . .
F1 F 0.07172(17) 0.71557(14) 0.43211(8) 0.0285(4) Uani 1 1 d . . . . .
F2 F -0.07741(19) 0.73988(17) 0.52734(8) 0.0377(5) Uani 1 1 d . . . . .
F3 F -0.21292(17) 0.94233(18) 0.55193(8) 0.0366(5) Uani 1 1 d . . . . .
F4 F -0.20229(16) 1.11887(16) 0.48093(8) 0.0341(4) Uani 1 1 d . . . . .
F5 F -0.28459(16) 1.19541(16) 0.38801(9) 0.0341(4) Uani 1 1 d . . . . .
F6 F -0.25637(17) 1.36673(15) 0.31620(10) 0.0403(5) Uani 1 1 d . . . . .
F7 F -0.04411(18) 1.36714(15) 0.24974(10) 0.0399(5) Uani 1 1 d . . . . .
F8 F 0.14130(17) 1.19219(15) 0.25305(9) 0.0351(5) Uani 1 1 d . . . . .
F9 F -0.27923(15) 0.98633(14) 0.27455(8) 0.0265(4) Uani 1 1 d . . . . .
F10 F -0.41973(16) 1.18612(15) 0.25624(8) 0.0324(4) Uani 1 1 d . . . . .
F11 F -0.34649(19) 1.33368(15) 0.17537(9) 0.0388(5) Uani 1 1 d . . . . .
F12 F -0.13710(18) 1.28369(14) 0.11254(8) 0.0316(4) Uani 1 1 d . . . . .
F13 F -0.06153(17) 1.17634(14) 0.02942(8) 0.0288(4) Uani 1 1 d . . . . .
F14 F 0.14353(18) 1.10763(15) -0.03289(7) 0.0317(4) Uani 1 1 d . . . . .
F15 F 0.31988(17) 0.93657(16) 0.00679(8) 0.0314(4) Uani 1 1 d . . . . .
F16 F 0.28152(15) 0.82940(14) 0.10750(7) 0.0234(4) Uani 1 1 d . . . . .
O1 O 0.14568(17) 0.79548(15) 0.32880(8) 0.0160(4) Uani 1 1 d . . . . .
O2 O 0.20599(17) 0.98014(15) 0.27914(8) 0.0179(4) Uani 1 1 d . . . . .
O3 O 0.14613(17) 0.80526(15) 0.20319(8) 0.0152(4) Uani 1 1 d . . . . .
O4 O -0.07736(17) 0.84590(15) 0.25274(8) 0.0162(4) Uani 1 1 d . . . . .
C1 C 0.3283(3) 0.6481(2) 0.27149(11) 0.0170(5) Uani 1 1 d . . . . .
C2 C 0.2219(2) 0.5980(2) 0.25823(12) 0.0169(5) Uani 1 1 d . . . . .
C3 C 0.2344(3) 0.4823(2) 0.24912(13) 0.0212(6) Uani 1 1 d . . . . .
H3 H 0.162229 0.448552 0.239293 0.025 Uiso 1 1 calc R U . . .
C4 C 0.3527(3) 0.4165(2) 0.25444(13) 0.0239(6) Uani 1 1 d . . . . .
H4 H 0.361660 0.338389 0.247062 0.029 Uiso 1 1 calc R U . . .
C5 C 0.4572(3) 0.4653(3) 0.27048(13) 0.0250(6) Uani 1 1 d . . . . .
H5 H 0.536825 0.419783 0.275879 0.030 Uiso 1 1 calc R U . . .
C6 C 0.4464(3) 0.5809(2) 0.27879(12) 0.0206(6) Uani 1 1 d . . . . .
H6 H 0.518696 0.613938 0.289348 0.025 Uiso 1 1 calc R U . . .
C7 C 0.4282(3) 0.8816(2) 0.21253(12) 0.0190(6) Uani 1 1 d . . . . .
C8 C 0.4092(3) 0.9926(3) 0.19156(13) 0.0250(6) Uani 1 1 d . . . . .
H8 H 0.343888 1.045246 0.207958 0.030 Uiso 1 1 calc R U . . .
C9 C 0.4863(3) 1.0261(3) 0.14655(14) 0.0299(7) Uani 1 1 d . . . . .
H9 H 0.472412 1.101321 0.132042 0.036 Uiso 1 1 calc R U . . .
C10 C 0.5825(3) 0.9507(3) 0.12304(14) 0.0317(7) Uani 1 1 d . . . . .
H10 H 0.634524 0.974034 0.092419 0.038 Uiso 1 1 calc R U . . .
C11 C 0.6033(3) 0.8409(3) 0.14395(14) 0.0307(7) Uani 1 1 d . . . . .
H11 H 0.670333 0.789483 0.127950 0.037 Uiso 1 1 calc R U . . .
C12 C 0.5262(3) 0.8056(3) 0.18852(13) 0.0252(6) Uani 1 1 d . . . . .
H12 H 0.540187 0.730043 0.202505 0.030 Uiso 1 1 calc R U . . .
C13 C 0.4121(2) 0.8453(2) 0.35880(12) 0.0177(5) Uani 1 1 d . . . . .
C14 C 0.4947(3) 0.9257(3) 0.36029(14) 0.0260(7) Uani 1 1 d . . . . .
H14 H 0.508063 0.969353 0.326260 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5572(3) 0.9410(3) 0.41230(15) 0.0332(8) Uani 1 1 d . . . . .
H15 H 0.612740 0.996037 0.413875 0.040 Uiso 1 1 calc R U . . .
C16 C 0.5386(3) 0.8763(3) 0.46184(14) 0.0320(7) Uani 1 1 d . . . . .
H16 H 0.582830 0.886544 0.496875 0.038 Uiso 1 1 calc R U . . .
C17 C 0.4566(3) 0.7972(3) 0.46072(13) 0.0268(7) Uani 1 1 d . . . . .
H17 H 0.444002 0.753589 0.494875 0.032 Uiso 1 1 calc R U . . .
C18 C 0.3925(3) 0.7816(3) 0.40909(13) 0.0231(6) Uani 1 1 d . . . . .
H18 H 0.335424 0.727734 0.408128 0.028 Uiso 1 1 calc R U . . .
C19 C -0.0351(3) 0.6355(2) 0.17367(13) 0.0194(6) Uani 1 1 d . . . . .
C20 C 0.0287(3) 0.6423(3) 0.12007(14) 0.0293(7) Uani 1 1 d . . . . .
H20 H 0.106318 0.672634 0.118273 0.035 Uiso 1 1 calc R U . . .
C21 C -0.0220(3) 0.6044(3) 0.06932(15) 0.0365(8) Uani 1 1 d . . . . .
H21 H 0.020313 0.610108 0.032734 0.044 Uiso 1 1 calc R U . . .
C22 C -0.1342(3) 0.5584(3) 0.07209(15) 0.0355(8) Uani 1 1 d . . . . .
H22 H -0.168191 0.532027 0.037479 0.043 Uiso 1 1 calc R U . . .
C23 C -0.1968(3) 0.5508(3) 0.12546(15) 0.0287(7) Uani 1 1 d . . . . .
H23 H -0.273571 0.519099 0.127195 0.034 Uiso 1 1 calc R U . . .
C24 C -0.1482(3) 0.5890(2) 0.17606(14) 0.0226(6) Uani 1 1 d . . . . .
H24 H -0.191667 0.583810 0.212409 0.027 Uiso 1 1 calc R U . . .
C25 C -0.0692(3) 0.6375(2) 0.32124(12) 0.0185(6) Uani 1 1 d . . . . .
C26 C -0.0178(3) 0.5444(3) 0.35490(14) 0.0259(6) Uani 1 1 d . . . . .
H26 H 0.065372 0.507922 0.346597 0.031 Uiso 1 1 calc R U . . .
C27 C -0.0884(3) 0.5047(3) 0.40080(14) 0.0311(7) Uani 1 1 d . . . . .
H27 H -0.052894 0.441770 0.423881 0.037 Uiso 1 1 calc R U . . .
C28 C -0.2096(3) 0.5569(3) 0.41253(14) 0.0312(7) Uani 1 1 d . . . . .
H28 H -0.257585 0.529744 0.443632 0.037 Uiso 1 1 calc R U . . .
C29 C -0.2616(3) 0.6491(3) 0.37908(15) 0.0309(7) Uani 1 1 d . . . . .
H29 H -0.345308 0.684461 0.387331 0.037 Uiso 1 1 calc R U . . .
C30 C -0.1922(3) 0.6903(2) 0.33347(13) 0.0237(6) Uani 1 1 d . . . . .
H30 H -0.228122 0.753772 0.310855 0.028 Uiso 1 1 calc R U . . .
C31 C 0.0411(3) 1.1900(2) 0.28949(14) 0.0249(6) Uani 1 1 d . . . . .
C32 C -0.0525(3) 1.2811(2) 0.28752(15) 0.0289(7) Uani 1 1 d . . . . .
C33 C -0.1603(3) 1.2818(2) 0.32239(15) 0.0288(7) Uani 1 1 d . . . . .
C34 C -0.1713(3) 1.1937(3) 0.36048(14) 0.0252(7) Uani 1 1 d . . . . .
C35 C -0.1464(3) 1.0177(3) 0.46212(14) 0.0253(7) Uani 1 1 d . . . . .
C36 C -0.1492(3) 0.9285(3) 0.50064(13) 0.0262(7) Uani 1 1 d . . . . .
C37 C -0.0795(3) 0.8251(3) 0.48810(13) 0.0262(7) Uani 1 1 d . . . . .
C38 C -0.0057(3) 0.8134(2) 0.43812(13) 0.0222(6) Uani 1 1 d . . . . .
C39 C 0.0831(2) 0.8955(2) 0.34782(12) 0.0160(5) Uani 1 1 d . . . . .
C40 C 0.1109(2) 0.9905(2) 0.31936(12) 0.0167(5) Uani 1 1 d . . . . .
C41 C 0.0302(3) 1.0959(2) 0.32626(12) 0.0185(6) Uani 1 1 d . . . . .
C42 C -0.0750(3) 1.1009(2) 0.36646(13) 0.0205(6) Uani 1 1 d . . . . .
C43 C -0.0791(2) 1.0075(2) 0.40834(12) 0.0195(6) Uani 1 1 d . . . . .
C44 C -0.0027(3) 0.9025(2) 0.39729(12) 0.0185(6) Uani 1 1 d . . . . .
C45 C -0.2431(3) 1.0531(2) 0.23130(13) 0.0196(6) Uani 1 1 d . . . . .
C46 C -0.3163(3) 1.1552(2) 0.22271(13) 0.0231(6) Uani 1 1 d . . . . .
C47 C -0.2798(3) 1.2301(2) 0.18069(14) 0.0263(7) Uani 1 1 d . . . . .
C48 C -0.1733(3) 1.2008(2) 0.14650(13) 0.0222(6) Uani 1 1 d . . . . .
C49 C 0.0268(3) 1.0995(2) 0.05519(13) 0.0215(6) Uani 1 1 d . . . . .
C50 C 0.1305(3) 1.0628(2) 0.02126(12) 0.0221(6) Uani 1 1 d . . . . .
C51 C 0.2199(3) 0.9743(3) 0.04130(13) 0.0232(6) Uani 1 1 d . . . . .
C52 C 0.1998(3) 0.9217(2) 0.09328(12) 0.0183(6) Uani 1 1 d . . . . .
C53 C 0.0661(2) 0.8959(2) 0.18192(12) 0.0155(5) Uani 1 1 d . . . . .
C54 C -0.0494(2) 0.9178(2) 0.20979(11) 0.0146(5) Uani 1 1 d . . . . .
C55 C -0.1341(2) 1.0193(2) 0.19679(12) 0.0160(5) Uani 1 1 d . . . . .
C56 C -0.1009(3) 1.0929(2) 0.15012(12) 0.0181(6) Uani 1 1 d . . . . .
C57 C 0.0070(3) 1.0545(2) 0.11195(12) 0.0180(6) Uani 1 1 d . . . . .
C58 C 0.0948(2) 0.9577(2) 0.13014(11) 0.0156(5) Uani 1 1 d . . . . .
C59 C -0.4503(3) 1.3772(3) -0.05575(15) 0.0354(8) Uani 1 1 d . . . . .
H59A H -0.462052 1.300739 -0.067788 0.042 Uiso 1 1 calc R U . . .
H59B H -0.531633 1.413468 -0.038909 0.042 Uiso 1 1 calc R U . . .
Cl3A Cl 0.19785(14) 1.27542(11) 0.13802(6) 0.0500(4) Uani 0.769(3) 1 d . . P A
1
Cl4A Cl 0.3515(5) 1.2439(4) 0.0310(2) 0.0596(10) Uani 0.769(3) 1 d . . P A 1
C60A C 0.2201(7) 1.3271(5) 0.0689(3) 0.0908(19) Uani 1 1 d . . . A 1
H60A H 0.237431 1.405553 0.071452 0.109 Uiso 1 1 calc R U . A 1
H60B H 0.141539 1.327562 0.046046 0.109 Uiso 1 1 calc R U . A 1
Cl3B Cl 0.1373(4) 1.3535(4) 0.1032(2) 0.0493(14) Uani 0.231(3) 1 d . . P A 2
Cl4B Cl 0.3563(15) 1.2543(15) 0.0407(9) 0.080(5) Uani 0.231(3) 1 d . . P A 2
Cl5A Cl -0.3853(3) 0.7489(2) 0.61223(9) 0.0783(8) Uani 0.773(6) 1 d . . P B 3
Cl6A Cl -0.4339(2) 0.53404(18) 0.55844(11) 0.0884(9) Uani 0.773(6) 1 d . . P B
3
C61A C -0.3186(8) 0.6073(12) 0.5904(3) 0.146(6) Uani 1 1 d . . . B 3
H61A H -0.248761 0.612011 0.561846 0.176 Uiso 1 1 calc R U . B 3
H61B H -0.282357 0.564659 0.625287 0.176 Uiso 1 1 calc R U . B 3
Cl5B Cl -0.3174(17) 0.6960(19) 0.6031(9) 0.197(11) Uani 0.227(6) 1 d . . P B 4
Cl6B Cl -0.3249(17) 0.5217(7) 0.5773(4) 0.109(5) Uani 0.227(6) 1 d . . P B 4


_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
Sb1 Sb2 3.568(3) . ?
Sb1 O1 2.146(2) . ?
Sb1 O2 2.034(2) . ?
Sb1 O3 2.557(2) . ?
Sb1 C1 2.137(3) . ?
Sb1 C7 2.134(3) . ?
Sb1 C13 2.113(3) . ?
Sb2 O1 2.525(2) . ?
Sb2 O3 2.133(2) . ?
Sb2 O4 2.039(2) . ?
Sb2 C2 2.135(3) . ?
Sb2 C19 2.121(3) . ?
Sb2 C25 2.134(3) . ?
Cl1 C59 1.773(4) . ?
Cl2 C59 1.761(4) . ?
F1 C38 1.347(3) . ?
F2 C37 1.347(4) . ?
F3 C36 1.347(3) . ?
F4 C35 1.352(4) . ?
F5 C34 1.351(4) . ?
F6 C33 1.346(3) . ?
F7 C32 1.347(4) . ?
F8 C31 1.348(4) . ?
F9 C45 1.348(3) . ?
F10 C46 1.346(3) . ?
F11 C47 1.349(3) . ?
F12 C48 1.349(3) . ?
F13 C49 1.353(3) . ?
F14 C50 1.352(3) . ?
F15 C51 1.348(3) . ?
F16 C52 1.347(3) . ?
O1 C39 1.366(3) . ?
O2 C40 1.352(3) . ?
O3 C53 1.370(3) . ?
O4 C54 1.354(3) . ?
C1 C2 1.395(4) . ?
C1 C6 1.405(4) . ?
C2 C3 1.399(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.395(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.400(4) . ?
C7 C12 1.400(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.396(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.380(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.398(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.398(4) . ?
C13 C18 1.398(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.389(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.381(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.396(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.399(4) . ?
C19 C24 1.398(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.395(4) . ?
C25 C30 1.400(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.399(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.393(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.374(4) . ?
C31 C41 1.414(4) . ?
C32 C33 1.388(5) . ?
C33 C34 1.376(5) . ?
C34 C42 1.412(4) . ?
C35 C36 1.378(5) . ?
C35 C43 1.412(4) . ?
C36 C37 1.389(5) . ?
C37 C38 1.375(4) . ?
C38 C44 1.411(4) . ?
C39 C40 1.372(4) . ?
C39 C44 1.440(4) . ?
C40 C41 1.438(4) . ?
C41 C42 1.434(4) . ?
C42 C43 1.466(4) . ?
C43 C44 1.428(4) . ?
C45 C46 1.371(4) . ?
C45 C55 1.411(4) . ?
C46 C47 1.393(4) . ?
C47 C48 1.377(4) . ?
C48 C56 1.414(4) . ?
C49 C50 1.367(4) . ?
C49 C57 1.419(4) . ?
C50 C51 1.397(4) . ?
C51 C52 1.363(4) . ?
C52 C58 1.414(4) . ?
C53 C54 1.372(4) . ?
C53 C58 1.437(4) . ?
C54 C55 1.440(4) . ?
C55 C56 1.445(4) . ?
C56 C57 1.460(4) . ?
C57 C58 1.444(4) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
Cl3A C60A 1.710(6) . ?
Cl4A C60A 1.821(8) . ?
C60A H60A 0.9900 . ?
C60A H60B 0.9900 . ?
Cl5A C61A 1.826(15) . ?
Cl6A C61A 1.780(11) . ?
C61A H61A 0.9900 . ?
C61A H61B 0.9900 . ?
Cl5B Cl6B 2.20(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sb1 Sb2 44.30(7) . . ?
O1 Sb1 O3 74.46(9) . . ?
O2 Sb1 Sb2 90.84(8) . . ?
O2 Sb1 O1 78.05(9) . . ?
O2 Sb1 O3 77.22(8) . . ?
O2 Sb1 C1 150.27(10) . . ?
O2 Sb1 C7 88.75(11) . . ?
O2 Sb1 C13 97.44(10) . . ?
O3 Sb1 Sb2 36.22(5) . . ?
C1 Sb1 Sb2 59.46(8) . . ?
C1 Sb1 O1 80.71(9) . . ?
C1 Sb1 O3 77.20(8) . . ?
C7 Sb1 Sb2 122.06(9) . . ?
C7 Sb1 O1 159.91(9) . . ?
C7 Sb1 O3 87.99(11) . . ?
C7 Sb1 C1 105.24(11) . . ?
C13 Sb1 Sb2 132.76(8) . . ?
C13 Sb1 O1 92.18(11) . . ?
C13 Sb1 O3 166.32(8) . . ?
C13 Sb1 C1 103.96(10) . . ?
C13 Sb1 C7 104.62(12) . . ?
O1 Sb2 Sb1 36.40(5) . . ?
O3 Sb2 Sb1 45.11(6) . . ?
O3 Sb2 O1 75.36(9) . . ?
O3 Sb2 C2 81.67(11) . . ?
O3 Sb2 C25 158.32(9) . . ?
O4 Sb2 Sb1 92.22(9) . . ?
O4 Sb2 O1 79.49(8) . . ?
O4 Sb2 O3 77.41(9) . . ?
O4 Sb2 C2 151.58(9) . . ?
O4 Sb2 C19 96.92(10) . . ?
O4 Sb2 C25 88.87(10) . . ?
C2 Sb2 Sb1 59.36(10) . . ?
C2 Sb2 O1 76.75(10) . . ?
C19 Sb2 Sb1 133.85(8) . . ?
C19 Sb2 O1 168.49(9) . . ?
C19 Sb2 O3 93.21(11) . . ?
C19 Sb2 C2 103.29(11) . . ?
C19 Sb2 C25 105.19(13) . . ?
C25 Sb2 Sb1 120.19(9) . . ?
C25 Sb2 O1 85.77(11) . . ?
C25 Sb2 C2 104.59(12) . . ?
Sb1 O1 Sb2 99.30(9) . . ?
C39 O1 Sb1 108.98(16) . . ?
C39 O1 Sb2 117.17(16) . . ?
C40 O2 Sb1 113.00(16) . . ?
Sb2 O3 Sb1 98.67(9) . . ?
C53 O3 Sb1 121.79(16) . . ?
C53 O3 Sb2 109.54(16) . . ?
C54 O4 Sb2 112.45(16) . . ?
C2 C1 Sb1 120.38(19) . . ?
C2 C1 C6 119.6(3) . . ?
C6 C1 Sb1 120.0(2) . . ?
C1 C2 Sb2 120.8(2) . . ?
C1 C2 C3 120.0(2) . . ?
C3 C2 Sb2 119.3(2) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.9(3) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 C1 119.7(3) . . ?
C5 C6 H6 120.1 . . ?
C8 C7 Sb1 121.5(2) . . ?
C12 C7 Sb1 119.2(2) . . ?
C12 C7 C8 119.3(3) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 119.9(3) . . ?
C11 C12 H12 120.0 . . ?
C14 C13 Sb1 119.3(2) . . ?
C14 C13 C18 120.1(3) . . ?
C18 C13 Sb1 120.5(2) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(3) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.7(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 120.0(3) . . ?
C17 C18 H18 120.0 . . ?
C20 C19 Sb2 120.0(2) . . ?
C24 C19 Sb2 120.2(2) . . ?
C24 C19 C20 119.7(3) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(3) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 120.1 . . ?
C23 C24 C19 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C26 C25 Sb2 119.8(2) . . ?
C26 C25 C30 119.5(3) . . ?
C30 C25 Sb2 120.7(2) . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(3) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(3) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 120.3 . . ?
C29 C30 C25 119.5(3) . . ?
C29 C30 H30 120.3 . . ?
F8 C31 C32 117.1(3) . . ?
F8 C31 C41 121.4(3) . . ?
C32 C31 C41 121.5(3) . . ?
F7 C32 C31 120.7(3) . . ?
F7 C32 C33 119.5(3) . . ?
C31 C32 C33 119.7(3) . . ?
F6 C33 C32 119.2(3) . . ?
F6 C33 C34 120.5(3) . . ?
C34 C33 C32 120.2(3) . . ?
F5 C34 C33 116.3(3) . . ?
F5 C34 C42 121.2(3) . . ?
C33 C34 C42 122.3(3) . . ?
F4 C35 C36 116.2(3) . . ?
F4 C35 C43 121.0(3) . . ?
C36 C35 C43 122.5(3) . . ?
F3 C36 C35 120.6(3) . . ?
F3 C36 C37 119.6(3) . . ?
C35 C36 C37 119.7(3) . . ?
F2 C37 C36 119.4(3) . . ?
F2 C37 C38 120.7(3) . . ?
C38 C37 C36 119.7(3) . . ?
F1 C38 C37 116.8(3) . . ?
F1 C38 C44 121.0(3) . . ?
C37 C38 C44 122.0(3) . . ?
O1 C39 C40 116.7(2) . . ?
O1 C39 C44 122.2(2) . . ?
C40 C39 C44 121.0(2) . . ?
O2 C40 C39 118.4(2) . . ?
O2 C40 C41 120.5(2) . . ?
C39 C40 C41 120.6(3) . . ?
C31 C41 C40 122.1(3) . . ?
C31 C41 C42 118.9(3) . . ?
C42 C41 C40 118.5(3) . . ?
C34 C42 C41 116.9(3) . . ?
C34 C42 C43 124.5(3) . . ?
C41 C42 C43 118.5(2) . . ?
C35 C43 C42 123.6(3) . . ?
C35 C43 C44 117.2(3) . . ?
C44 C43 C42 119.0(2) . . ?
C38 C44 C39 122.7(3) . . ?
C38 C44 C43 118.7(3) . . ?
C43 C44 C39 118.3(3) . . ?
F9 C45 C46 117.1(3) . . ?
F9 C45 C55 121.2(2) . . ?
C46 C45 C55 121.7(3) . . ?
F10 C46 C45 120.8(3) . . ?
F10 C46 C47 119.6(3) . . ?
C45 C46 C47 119.6(3) . . ?
F11 C47 C46 119.5(3) . . ?
F11 C47 C48 119.9(3) . . ?
C48 C47 C46 120.5(3) . . ?
F12 C48 C47 115.8(3) . . ?
F12 C48 C56 122.0(3) . . ?
C47 C48 C56 122.0(3) . . ?
F13 C49 C50 115.5(3) . . ?
F13 C49 C57 121.4(3) . . ?
C50 C49 C57 122.8(3) . . ?
F14 C50 C49 120.3(3) . . ?
F14 C50 C51 119.8(3) . . ?
C49 C50 C51 119.9(3) . . ?
F15 C51 C50 119.4(3) . . ?
F15 C51 C52 120.8(3) . . ?
C52 C51 C50 119.7(3) . . ?
F16 C52 C51 117.2(2) . . ?
F16 C52 C58 120.3(2) . . ?
C51 C52 C58 122.4(3) . . ?
O3 C53 C54 115.7(2) . . ?
O3 C53 C58 122.6(2) . . ?
C54 C53 C58 121.4(2) . . ?
O4 C54 C53 118.3(2) . . ?
O4 C54 C55 120.9(2) . . ?
C53 C54 C55 120.6(2) . . ?
C45 C55 C54 121.8(2) . . ?
C45 C55 C56 119.0(2) . . ?
C54 C55 C56 119.0(2) . . ?
C48 C56 C55 116.7(3) . . ?
C48 C56 C57 124.3(3) . . ?
C55 C56 C57 118.9(2) . . ?
C49 C57 C56 124.6(3) . . ?
C49 C57 C58 116.5(3) . . ?
C58 C57 C56 118.7(2) . . ?
C52 C58 C53 122.5(2) . . ?
C52 C58 C57 118.4(2) . . ?
C53 C58 C57 118.9(2) . . ?
Cl1 C59 H59A 109.1 . . ?
Cl1 C59 H59B 109.1 . . ?
Cl2 C59 Cl1 112.4(2) . . ?
Cl2 C59 H59A 109.1 . . ?
Cl2 C59 H59B 109.1 . . ?
H59A C59 H59B 107.8 . . ?
Cl3A C60A Cl4A 111.7(4) . . ?
Cl3A C60A H60A 109.3 . . ?
Cl3A C60A H60B 109.3 . . ?
Cl4A C60A H60A 109.3 . . ?
Cl4A C60A H60B 109.3 . . ?
H60A C60A H60B 107.9 . . ?
Cl5A C61A H61A 109.1 . . ?
Cl5A C61A H61B 109.1 . . ?
Cl6A C61A Cl5A 112.3(5) . . ?
Cl6A C61A H61A 109.1 . . ?
Cl6A C61A H61B 109.1 . . ?
H61A C61A H61B 107.9 . . ?

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
Sb1 O1 C39 C40 19.7(3) . . . . ?
Sb1 O1 C39 C44 -157.0(2) . . . . ?
Sb1 O2 C40 C39 -11.4(3) . . . . ?
Sb1 O2 C40 C41 176.85(19) . . . . ?
Sb1 O3 C53 C54 -93.4(2) . . . . ?
Sb1 O3 C53 C58 92.7(3) . . . . ?
Sb1 C1 C2 Sb2 -2.8(3) . . . . ?
Sb1 C1 C2 C3 176.6(2) . . . . ?
Sb1 C1 C6 C5 -177.7(2) . . . . ?
Sb1 C7 C8 C9 -179.6(2) . . . . ?
Sb1 C7 C12 C11 -179.6(2) . . . . ?
Sb1 C13 C14 C15 177.9(2) . . . . ?
Sb1 C13 C18 C17 -178.5(2) . . . . ?
Sb2 O1 C39 C40 -92.0(2) . . . . ?
Sb2 O1 C39 C44 91.4(3) . . . . ?
Sb2 O3 C53 C54 20.7(3) . . . . ?
Sb2 O3 C53 C58 -153.2(2) . . . . ?
Sb2 O4 C54 C53 -16.3(3) . . . . ?
Sb2 O4 C54 C55 168.53(19) . . . . ?
Sb2 C2 C3 C4 -179.2(2) . . . . ?
Sb2 C19 C20 C21 -178.6(2) . . . . ?
Sb2 C19 C24 C23 179.3(2) . . . . ?
Sb2 C25 C26 C27 -179.5(2) . . . . ?
Sb2 C25 C30 C29 179.0(2) . . . . ?
F1 C38 C44 C39 -0.9(4) . . . . ?
F1 C38 C44 C43 -174.8(2) . . . . ?
F2 C37 C38 F1 -3.0(4) . . . . ?
F2 C37 C38 C44 -177.8(3) . . . . ?
F3 C36 C37 F2 0.4(4) . . . . ?
F3 C36 C37 C38 -174.5(3) . . . . ?
F4 C35 C36 F3 4.8(4) . . . . ?
F4 C35 C36 C37 -171.3(2) . . . . ?
F4 C35 C43 C42 -6.4(4) . . . . ?
F4 C35 C43 C44 168.0(2) . . . . ?
F5 C34 C42 C41 166.9(2) . . . . ?
F5 C34 C42 C43 -9.5(4) . . . . ?
F6 C33 C34 F5 3.4(4) . . . . ?
F6 C33 C34 C42 177.3(3) . . . . ?
F7 C32 C33 F6 2.4(4) . . . . ?
F7 C32 C33 C34 178.9(3) . . . . ?
F8 C31 C32 F7 1.3(4) . . . . ?
F8 C31 C32 C33 177.6(3) . . . . ?
F8 C31 C41 C40 -11.9(4) . . . . ?
F8 C31 C41 C42 176.5(3) . . . . ?
F9 C45 C46 F10 -0.2(4) . . . . ?
F9 C45 C46 C47 176.6(3) . . . . ?
F9 C45 C55 C54 -6.5(4) . . . . ?
F9 C45 C55 C56 178.7(2) . . . . ?
F10 C46 C47 F11 1.9(4) . . . . ?
F10 C46 C47 C48 179.0(3) . . . . ?
F11 C47 C48 F12 5.2(4) . . . . ?
F11 C47 C48 C56 -179.4(3) . . . . ?
F12 C48 C56 C55 167.2(2) . . . . ?
F12 C48 C56 C57 -9.8(4) . . . . ?
F13 C49 C50 F14 3.8(4) . . . . ?
F13 C49 C50 C51 -172.7(3) . . . . ?
F13 C49 C57 C56 -6.6(4) . . . . ?
F13 C49 C57 C58 167.9(2) . . . . ?
F14 C50 C51 F15 1.5(4) . . . . ?
F14 C50 C51 C52 -173.3(3) . . . . ?
F15 C51 C52 F16 -1.9(4) . . . . ?
F15 C51 C52 C58 -178.9(3) . . . . ?
F16 C52 C58 C53 -3.5(4) . . . . ?
F16 C52 C58 C57 -177.5(2) . . . . ?
O1 C39 C40 O2 -6.5(4) . . . . ?
O1 C39 C40 C41 165.2(2) . . . . ?
O1 C39 C44 C38 15.9(4) . . . . ?
O1 C39 C44 C43 -170.2(2) . . . . ?
O2 C40 C41 C31 4.0(4) . . . . ?
O2 C40 C41 C42 175.6(2) . . . . ?
O3 C53 C54 O4 -3.8(4) . . . . ?
O3 C53 C54 C55 171.4(2) . . . . ?
O3 C53 C58 C52 8.0(4) . . . . ?
O3 C53 C58 C57 -177.9(2) . . . . ?
O4 C54 C55 C45 5.8(4) . . . . ?
O4 C54 C55 C56 -179.3(2) . . . . ?
C1 C2 C3 C4 1.3(4) . . . . ?
C2 C1 C6 C5 2.5(4) . . . . ?
C2 C3 C4 C5 1.9(4) . . . . ?
C3 C4 C5 C6 -3.0(5) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
C6 C1 C2 Sb2 177.0(2) . . . . ?
C6 C1 C2 C3 -3.5(4) . . . . ?
C7 C8 C9 C10 -0.9(5) . . . . ?
C8 C7 C12 C11 -0.3(4) . . . . ?
C8 C9 C10 C11 0.0(5) . . . . ?
C9 C10 C11 C12 0.8(5) . . . . ?
C10 C11 C12 C7 -0.6(5) . . . . ?
C12 C7 C8 C9 1.0(4) . . . . ?
C13 C14 C15 C16 0.7(5) . . . . ?
C14 C13 C18 C17 -0.8(4) . . . . ?
C14 C15 C16 C17 -1.1(5) . . . . ?
C15 C16 C17 C18 0.5(5) . . . . ?
C16 C17 C18 C13 0.5(4) . . . . ?
C18 C13 C14 C15 0.2(4) . . . . ?
C19 C20 C21 C22 -1.1(5) . . . . ?
C20 C19 C24 C23 -0.4(4) . . . . ?
C20 C21 C22 C23 0.5(5) . . . . ?
C21 C22 C23 C24 0.1(5) . . . . ?
C22 C23 C24 C19 -0.2(4) . . . . ?
C24 C19 C20 C21 1.0(5) . . . . ?
C25 C26 C27 C28 0.6(5) . . . . ?
C26 C25 C30 C29 0.0(4) . . . . ?
C26 C27 C28 C29 -0.2(5) . . . . ?
C27 C28 C29 C30 -0.3(5) . . . . ?
C28 C29 C30 C25 0.4(5) . . . . ?
C30 C25 C26 C27 -0.5(5) . . . . ?
C31 C32 C33 F6 -174.0(3) . . . . ?
C31 C32 C33 C34 2.5(5) . . . . ?
C31 C41 C42 C34 9.2(4) . . . . ?
C31 C41 C42 C43 -174.2(3) . . . . ?
C32 C31 C41 C40 165.3(3) . . . . ?
C32 C31 C41 C42 -6.3(4) . . . . ?
C32 C33 C34 F5 -173.1(3) . . . . ?
C32 C33 C34 C42 0.8(5) . . . . ?
C33 C34 C42 C41 -6.7(4) . . . . ?
C33 C34 C42 C43 176.9(3) . . . . ?
C34 C42 C43 C35 -27.6(4) . . . . ?
C34 C42 C43 C44 158.0(3) . . . . ?
C35 C36 C37 F2 176.6(3) . . . . ?
C35 C36 C37 C38 1.7(4) . . . . ?
C35 C43 C44 C38 4.4(4) . . . . ?
C35 C43 C44 C39 -169.7(2) . . . . ?
C36 C35 C43 C42 179.7(3) . . . . ?
C36 C35 C43 C44 -5.8(4) . . . . ?
C36 C37 C38 F1 171.9(3) . . . . ?
C36 C37 C38 C44 -2.9(4) . . . . ?
C37 C38 C44 C39 173.7(3) . . . . ?
C37 C38 C44 C43 -0.2(4) . . . . ?
C39 C40 C41 C31 -167.5(3) . . . . ?
C39 C40 C41 C42 4.0(4) . . . . ?
C40 C39 C44 C38 -160.6(3) . . . . ?
C40 C39 C44 C43 13.3(4) . . . . ?
C40 C41 C42 C34 -162.7(2) . . . . ?
C40 C41 C42 C43 14.0(4) . . . . ?
C41 C31 C32 F7 -176.1(3) . . . . ?
C41 C31 C32 C33 0.3(5) . . . . ?
C41 C42 C43 C35 156.0(3) . . . . ?
C41 C42 C43 C44 -18.4(4) . . . . ?
C42 C43 C44 C38 179.1(2) . . . . ?
C42 C43 C44 C39 5.0(4) . . . . ?
C43 C35 C36 F3 178.9(2) . . . . ?
C43 C35 C36 C37 2.8(4) . . . . ?
C44 C39 C40 O2 170.1(2) . . . . ?
C44 C39 C40 C41 -18.1(4) . . . . ?
C45 C46 C47 F11 -175.0(3) . . . . ?
C45 C46 C47 C48 2.2(5) . . . . ?
C45 C55 C56 C48 6.9(4) . . . . ?
C45 C55 C56 C57 -175.9(2) . . . . ?
C46 C45 C55 C54 173.1(3) . . . . ?
C46 C45 C55 C56 -1.8(4) . . . . ?
C46 C47 C48 F12 -171.9(3) . . . . ?
C46 C47 C48 C56 3.4(5) . . . . ?
C47 C48 C56 C55 -7.9(4) . . . . ?
C47 C48 C56 C57 175.1(3) . . . . ?
C48 C56 C57 C49 -23.6(4) . . . . ?
C48 C56 C57 C58 162.1(3) . . . . ?
C49 C50 C51 F15 178.1(3) . . . . ?
C49 C50 C51 C52 3.2(4) . . . . ?
C49 C57 C58 C52 5.9(4) . . . . ?
C49 C57 C58 C53 -168.4(2) . . . . ?
C50 C49 C57 C56 178.6(3) . . . . ?
C50 C49 C57 C58 -7.0(4) . . . . ?
C50 C51 C52 F16 172.9(3) . . . . ?
C50 C51 C52 C58 -4.1(4) . . . . ?
C51 C52 C58 C53 173.5(3) . . . . ?
C51 C52 C58 C57 -0.6(4) . . . . ?
C53 C54 C55 C45 -169.3(3) . . . . ?
C53 C54 C55 C56 5.6(4) . . . . ?
C54 C53 C58 C52 -165.6(3) . . . . ?
C54 C53 C58 C57 8.5(4) . . . . ?
C54 C55 C56 C48 -168.1(2) . . . . ?
C54 C55 C56 C57 9.1(4) . . . . ?
C55 C45 C46 F10 -179.7(3) . . . . ?
C55 C45 C46 C47 -2.9(4) . . . . ?
C55 C56 C57 C49 159.5(3) . . . . ?
C55 C56 C57 C58 -14.9(4) . . . . ?
C56 C57 C58 C52 -179.3(2) . . . . ?
C56 C57 C58 C53 6.4(4) . . . . ?
C57 C49 C50 F14 179.0(3) . . . . ?
C57 C49 C50 C51 2.5(4) . . . . ?
C58 C53 C54 O4 170.2(2) . . . . ?
C58 C53 C54 C55 -14.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_dyb108_0m_a_pl
_database_code_depnum_ccdc_archive 'CCDC 2071280'
loop_
_audit_author_name
_audit_author_address
'Francois Gabbai'
;Texas A and M
United States of America
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-30 downloaded from the CCDC.
;
_audit_creation_date             2021-02-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H20 F20 O4 Sb2'
_chemical_formula_sum            'C58 H20 F20 O4 Sb2'
_chemical_formula_weight         1404.26
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5870 1.5460 '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           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   29.7448(12)
_cell_length_b                   10.3503(4)
_cell_length_c                   31.5033(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9698.8(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9046
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.244
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5456
_exptl_crystal_size_max          0.218
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.132
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            174917
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.456
_diffrn_reflns_theta_min         2.181
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.958
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                16478
_reflns_number_total             17887
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-1997  (Sheldrick, 2008)'
_refine_diff_density_max         0.935
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.203(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1514
_refine_ls_number_reflns         17887
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0300
_refine_ls_restrained_S_all      1.156
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0393P)²+5.8390P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0749
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.797(16)
 0.203(16)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C8'(H8'), C9(H9), C9'(H9'), C10(H10), C10'(H10'), C11(H11),
 C11'(H11'), C12(H12), C12'(H12'), C14(H14), C14'(H14'), C15(H15), C15'(H15'),
 C16(H16), C16'(H16'), C17(H17), C17'(H17'), C18(H18), C18'(H18'), C20(H20),
 C20'(H20'), C21(H21), C21'(H21'), C22(H22), C22'(H22'), C23(H23), C23'(H23'),
 C24(H24), C24'(H24'), C26(H26), C26'(H26'), C27(H27), C27'(H27'), C28(H28),
 C28'(H28'), C29(H29), C29'(H29'), C30(H30), C30'(H30')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Sb1 Sb 0.48410(2) 0.49310(4) 0.11336(2) 0.01127(13) Uani 1 1 d . . . . .
Sb1' Sb 0.26372(2) 0.68597(4) 0.43900(2) 0.01268(10) Uani 1 1 d . . . . .
Sb2 Sb 0.48485(2) 0.79904(4) 0.06128(2) 0.01067(10) Uani 1 1 d . . . . .
Sb2' Sb 0.26437(2) 0.99497(4) 0.38695(2) 0.01348(14) Uani 1 1 d . . . . .
F1 F 0.46678(15) 0.7399(4) -0.03892(13) 0.0226(10) Uani 1 1 d . . . . .
F1' F 0.28969(14) 1.2042(4) 0.45859(14) 0.0248(10) Uani 1 1 d . . . . .
F2 F 0.4516(2) 0.5237(5) -0.08324(17) 0.0372(14) Uani 1 1 d . . . . .
F2' F 0.30243(17) 1.1907(4) 0.54243(15) 0.0345(12) Uani 1 1 d . . . . .
F3 F 0.44580(17) 0.2914(4) -0.04174(15) 0.0327(12) Uani 1 1 d . . . . .
F3' F 0.29786(18) 0.9621(5) 0.58304(15) 0.0315(12) Uani 1 1 d . . . . .
F4 F 0.45733(14) 0.2795(4) 0.04251(13) 0.0210(9) Uani 1 1 d . . . . .
F4' F 0.28244(16) 0.7427(4) 0.53907(13) 0.0251(10) Uani 1 1 d . . . . .
F5 F 0.53915(14) 0.5985(4) 0.24148(13) 0.0276(10) Uani 1 1 d . . . . .
F5' F 0.13738(14) 0.9398(4) 0.42628(13) 0.0237(10) Uani 1 1 d . . . . .
F6 F 0.55108(15) 0.7331(5) 0.31243(14) 0.0361(12) Uani 1 1 d . . . . .
F6' F 0.04984(17) 0.9698(5) 0.41193(16) 0.0270(11) Uani 1 1 d . . . . .
F7 F 0.50196(19) 0.9480(5) 0.32724(16) 0.0443(13) Uani 1 1 d . . . . .
F7' F 0.00544(14) 0.8021(4) 0.36110(15) 0.0319(11) Uani 1 1 d . . . . .
F8 F 0.4384(2) 1.0209(5) 0.2734(2) 0.0337(14) Uani 1 1 d . . . . .
F8' F 0.04925(13) 0.6220(4) 0.31814(14) 0.0273(10) Uani 1 1 d . . . . .
F9 F 0.36287(16) 0.9572(5) 0.25984(15) 0.0291(11) Uani 1 1 d . . . . .
F9' F 0.09772(14) 0.6172(4) 0.25698(13) 0.0242(10) Uani 1 1 d . . . . .
F10 F 0.29402(19) 0.9989(4) 0.2083(2) 0.0298(15) Uani 1 1 d . . . . .
F10' F 0.14382(15) 0.4404(5) 0.21536(14) 0.0333(11) Uani 1 1 d . . . . .
F11 F 0.29100(14) 0.8855(5) 0.13123(15) 0.0323(11) Uani 1 1 d . . . . .
F11' F 0.22210(15) 0.3463(5) 0.24749(15) 0.0349(12) Uani 1 1 d . . . . .
F12 F 0.35871(13) 0.7368(4) 0.10446(13) 0.0221(9) Uani 1 1 d . . . . .
F12' F 0.25480(13) 0.4378(4) 0.32021(14) 0.0222(10) Uani 1 1 d . . . . .
F13 F 0.61035(13) 0.5462(4) 0.07123(13) 0.0217(9) Uani 1 1 d . . . . .
F13' F 0.21098(15) 0.9015(5) 0.25762(14) 0.0299(11) Uani 1 1 d . . . . .
F14 F 0.69859(17) 0.5211(4) 0.08063(17) 0.0255(12) Uani 1 1 d . . . . .
F14' F 0.19944(16) 0.7715(6) 0.18574(16) 0.0420(13) Uani 1 1 d . . . . .
F15 F 0.74462(13) 0.6909(4) 0.13054(14) 0.0263(10) Uani 1 1 d . . . . .
F15' F 0.24701(17) 0.5537(6) 0.17057(16) 0.0431(13) Uani 1 1 d . . . . .
F16 F 0.70183(13) 0.8690(4) 0.17538(13) 0.0234(9) Uani 1 1 d . . . . .
F16' F 0.31030(19) 0.4766(5) 0.2243(2) 0.0348(14) Uani 1 1 d . . . . .
F17 F 0.65552(13) 0.8735(4) 0.23867(13) 0.0251(10) Uani 1 1 d . . . . .
F17' F 0.38563(16) 0.5384(5) 0.23802(16) 0.0317(11) Uani 1 1 d . . . . .
F18 F 0.61040(15) 1.0549(5) 0.28051(14) 0.0326(11) Uani 1 1 d . . . . .
F18' F 0.4536(2) 0.4957(4) 0.2885(2) 0.0317(16) Uani 1 1 d . . . . .
F19 F 0.53227(15) 1.1494(4) 0.24970(15) 0.0315(11) Uani 1 1 d . . . . .
F19' F 0.45834(14) 0.6074(5) 0.36666(15) 0.0342(11) Uani 1 1 d . . . . .
F20 F 0.49696(14) 1.0548(4) 0.17842(14) 0.0235(10) Uani 1 1 d . . . . .
F20' F 0.39078(13) 0.7536(4) 0.39385(13) 0.0252(10) Uani 1 1 d . . . . .
O1 O 0.44452(14) 0.6638(4) 0.11143(14) 0.0119(9) Uani 1 1 d . . . . .
O1' O 0.21270(18) 0.8054(5) 0.41478(17) 0.0175(12) Uani 1 1 d . . . . .
O2 O 0.50298(15) 0.5820(4) 0.16743(14) 0.0137(10) Uani 1 1 d . . . . .
O2' O 0.24892(15) 0.5959(4) 0.38384(14) 0.0128(10) Uani 1 1 d . . . . .
O3 O 0.53505(16) 0.6762(4) 0.08636(15) 0.0118(10) Uani 1 1 d . . . . .
O3' O 0.30437(15) 0.8255(5) 0.38822(15) 0.0179(10) Uani 1 1 d . . . . .
O4 O 0.50065(14) 0.8908(4) 0.11609(14) 0.0114(9) Uani 1 1 d . . . . .
O4' O 0.24579(16) 0.9087(4) 0.33335(15) 0.0176(11) Uani 1 1 d . . . . .
C1 C 0.4706(3) 0.5042(6) 0.0465(3) 0.0112(18) Uani 1 1 d . . . . .
C1' C 0.2762(2) 0.8599(7) 0.4745(2) 0.0136(16) Uani 1 1 d . . . . .
C2 C 0.4720(2) 0.6242(7) 0.0256(2) 0.0130(16) Uani 1 1 d . . . . .
C2' C 0.2774(3) 0.9791(7) 0.4545(3) 0.0151(18) Uani 1 1 d . . . . .
C3 C 0.4656(2) 0.6259(7) -0.0182(2) 0.0158(16) Uani 1 1 d . . . . .
C3' C 0.2864(2) 1.0886(7) 0.4773(3) 0.0176(17) Uani 1 1 d . . . . .
C4 C 0.4571(3) 0.5149(8) -0.0406(3) 0.020(2) Uani 1 1 d . . . . .
C4' C 0.2935(3) 1.0827(8) 0.5206(3) 0.026(2) Uani 1 1 d . . . . .
C5 C 0.4551(3) 0.4003(7) -0.0205(3) 0.0200(17) Uani 1 1 d . . . . .
C5' C 0.2908(3) 0.9672(9) 0.5414(3) 0.025(2) Uani 1 1 d . . . . .
C6 C 0.4612(3) 0.3963(7) 0.0236(3) 0.0176(17) Uani 1 1 d . . . . .
C6' C 0.2831(3) 0.8557(7) 0.5179(2) 0.0165(16) Uani 1 1 d . . . . .
C7 C 0.5417(2) 0.3725(6) 0.1176(2) 0.0137(14) Uani 1 1 d . . . . .
C7' C 0.2207(2) 0.5757(7) 0.4784(2) 0.0139(15) Uani 1 1 d . . . . .
C8 C 0.5673(2) 0.3728(7) 0.1545(2) 0.0205(16) Uani 1 1 d . . . . .
H8 H 0.559860 0.429479 0.177119 0.025 Uiso 1 1 calc R U . . .
C8' C 0.1777(2) 0.6134(7) 0.4879(2) 0.0238(17) Uani 1 1 d . . . . .
H8' H 0.166121 0.692139 0.477011 0.029 Uiso 1 1 calc R U . . .
C9 C 0.6035(3) 0.2904(8) 0.1580(3) 0.0263(19) Uani 1 1 d . . . . .
H9 H 0.621009 0.290395 0.183219 0.032 Uiso 1 1 calc R U . . .
C9' C 0.1513(3) 0.5351(8) 0.5137(3) 0.0250(19) Uani 1 1 d . . . . .
H9' H 0.121782 0.562705 0.520824 0.030 Uiso 1 1 calc R U . . .
C10 C 0.6147(3) 0.2074(8) 0.1250(3) 0.0242(18) Uani 1 1 d . . . . .
H10 H 0.639599 0.150438 0.127588 0.029 Uiso 1 1 calc R U . . .
C10' C 0.1662(3) 0.4221(8) 0.5288(3) 0.0246(19) Uani 1 1 d . . . . .
H10' H 0.146940 0.368500 0.545238 0.029 Uiso 1 1 calc R U . . .
C11 C 0.5893(3) 0.2086(8) 0.0887(2) 0.0249(17) Uani 1 1 d . . . . .
H11 H 0.596647 0.152152 0.065946 0.030 Uiso 1 1 calc R U . . .
C11' C 0.2100(3) 0.3840(7) 0.5203(3) 0.0264(17) Uani 1 1 d . . . . .
H11' H 0.221473 0.306086 0.531935 0.032 Uiso 1 1 calc R U . . .
C12 C 0.5531(3) 0.2915(8) 0.0850(3) 0.0244(19) Uani 1 1 d . . . . .
H12 H 0.536005 0.292420 0.059536 0.029 Uiso 1 1 calc R U . . .
C12' C 0.2370(3) 0.4613(8) 0.4944(3) 0.0225(17) Uani 1 1 d . . . . .
H12' H 0.266718 0.434687 0.487871 0.027 Uiso 1 1 calc R U . . .
C13 C 0.4298(2) 0.3906(6) 0.1400(2) 0.0137(15) Uani 1 1 d . . . . .
C13' C 0.3253(2) 0.5842(6) 0.4431(2) 0.0122(13) Uani 1 1 d . . . . .
C14 C 0.3860(2) 0.4241(7) 0.1292(2) 0.0199(16) Uani 1 1 d . . . . .
H14 H 0.380244 0.488051 0.108233 0.024 Uiso 1 1 calc R U . . .
C14' C 0.3336(3) 0.4799(8) 0.4171(3) 0.020(2) Uani 1 1 d . . . . .
H14' H 0.311903 0.454554 0.396582 0.025 Uiso 1 1 calc R U . . .
C15 C 0.3513(3) 0.3622(8) 0.1495(3) 0.0263(18) Uani 1 1 d . . . . .
H15 H 0.321179 0.383683 0.142262 0.032 Uiso 1 1 calc R U . . .
C15' C 0.3734(3) 0.4121(8) 0.4206(3) 0.0274(18) Uani 1 1 d . . . . .
H15' H 0.378822 0.340320 0.402496 0.033 Uiso 1 1 calc R U . . .
C16 C 0.3589(3) 0.2695(7) 0.1803(3) 0.0262(18) Uani 1 1 d . . . . .
H16 H 0.334326 0.227818 0.193880 0.031 Uiso 1 1 calc R U . . .
C16' C 0.4050(3) 0.4470(8) 0.4498(3) 0.0254(18) Uani 1 1 d . . . . .
H16' H 0.432411 0.400226 0.451977 0.031 Uiso 1 1 calc R U . . .
C17 C 0.4028(3) 0.2380(8) 0.1911(3) 0.0286(19) Uani 1 1 d . . . . .
H17 H 0.408435 0.174329 0.212147 0.034 Uiso 1 1 calc R U . . .
C17' C 0.3968(3) 0.5531(8) 0.4768(3) 0.0249(18) Uani 1 1 d . . . . .
H17' H 0.418637 0.578334 0.497128 0.030 Uiso 1 1 calc R U . . .
C18 C 0.4386(3) 0.2991(7) 0.1712(3) 0.0221(19) Uani 1 1 d . . . . .
H18 H 0.468662 0.278565 0.178732 0.027 Uiso 1 1 calc R U . . .
C18' C 0.3572(2) 0.6194(7) 0.4736(2) 0.0205(16) Uani 1 1 d . . . . .
H18' H 0.351362 0.689898 0.492088 0.025 Uiso 1 1 calc R U . . .
C19 C 0.5298(2) 0.9003(7) 0.0219(2) 0.0154(15) Uani 1 1 d . . . . .
C19' C 0.2071(2) 1.1146(7) 0.3833(2) 0.0169(15) Uani 1 1 d . . . . .
C20 C 0.5698(2) 0.8436(7) 0.0088(2) 0.0204(16) Uani 1 1 d . . . . .
H20 H 0.577174 0.758396 0.017536 0.024 Uiso 1 1 calc R U . . .
C20' C 0.1941(3) 1.1900(7) 0.4180(3) 0.0214(18) Uani 1 1 d . . . . .
H20' H 0.209659 1.182963 0.444212 0.026 Uiso 1 1 calc R U . . .
C21 C 0.5988(3) 0.9126(8) -0.0173(3) 0.0270(19) Uani 1 1 d . . . . .
H21 H 0.626049 0.873854 -0.026483 0.032 Uiso 1 1 calc R U . . .
C21' C 0.1581(3) 1.2753(8) 0.4140(3) 0.0274(18) Uani 1 1 d . . . . .
H21' H 0.149423 1.327787 0.437361 0.033 Uiso 1 1 calc R U . . .
C22 C 0.5884(3) 1.0382(9) -0.0301(3) 0.032(2) Uani 1 1 d . . . . .
H22 H 0.608462 1.085279 -0.047716 0.038 Uiso 1 1 calc R U . . .
C22' C 0.1353(2) 1.2830(8) 0.3761(3) 0.0248(18) Uani 1 1 d . . . . .
H22' H 0.110391 1.339842 0.373666 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5487(3) 1.0929(7) -0.0168(3) 0.0304(19) Uani 1 1 d . . . . .
H23 H 0.541605 1.178644 -0.025140 0.037 Uiso 1 1 calc R U . . .
C23' C 0.1478(3) 1.2109(8) 0.3421(3) 0.031(2) Uani 1 1 d . . . . .
H23' H 0.131902 1.218617 0.316074 0.037 Uiso 1 1 calc R U . . .
C24 C 0.5189(3) 1.0249(8) 0.0086(3) 0.025(2) Uani 1 1 d . . . . .
H24 H 0.491168 1.062936 0.016950 0.030 Uiso 1 1 calc R U . . .
C24' C 0.1839(2) 1.1257(8) 0.3452(2) 0.0215(17) Uani 1 1 d . . . . .
H24' H 0.192615 1.075398 0.321324 0.026 Uiso 1 1 calc R U . . .
C25 C 0.4252(2) 0.9101(6) 0.0568(2) 0.0143(14) Uani 1 1 d . . . . .
C25' C 0.3182(2) 1.1000(7) 0.3604(2) 0.0153(15) Uani 1 1 d . . . . .
C26 C 0.3933(2) 0.8823(7) 0.0258(2) 0.0191(16) Uani 1 1 d . . . . .
H26 H 0.398285 0.813620 0.006358 0.023 Uiso 1 1 calc R U . . .
C26' C 0.3100(3) 1.1932(8) 0.3304(3) 0.028(2) Uani 1 1 d . . . . .
H26' H 0.279767 1.214572 0.323523 0.033 Uiso 1 1 calc R U . . .
C27 C 0.3538(3) 0.9556(8) 0.0234(3) 0.0245(18) Uani 1 1 d . . . . .
H27 H 0.331921 0.936752 0.002291 0.029 Uiso 1 1 calc R U . . .
C27' C 0.3448(3) 1.2570(8) 0.3100(3) 0.031(2) Uani 1 1 d . . . . .
H27' H 0.338752 1.320566 0.288980 0.037 Uiso 1 1 calc R U . . .
C28 C 0.3469(3) 1.0536(8) 0.0511(3) 0.0260(19) Uani 1 1 d . . . . .
H28 H 0.319946 1.102558 0.049540 0.031 Uiso 1 1 calc R U . . .
C28' C 0.3884(3) 1.2263(7) 0.3207(3) 0.0279(19) Uani 1 1 d . . . . .
H28' H 0.412501 1.269865 0.306977 0.033 Uiso 1 1 calc R U . . .
C29 C 0.3788(2) 1.0835(7) 0.0820(3) 0.0237(17) Uani 1 1 d . . . . .
H29 H 0.373558 1.152767 0.101184 0.028 Uiso 1 1 calc R U . . .
C29' C 0.3978(3) 1.1342(8) 0.3507(3) 0.0267(18) Uani 1 1 d . . . . .
H29' H 0.428042 1.114393 0.357744 0.032 Uiso 1 1 calc R U . . .
C30 C 0.4184(3) 1.0115(7) 0.0848(3) 0.018(2) Uani 1 1 d . . . . .
H30 H 0.440368 1.031835 0.105581 0.021 Uiso 1 1 calc R U . . .
C30' C 0.3624(2) 1.0697(7) 0.3708(2) 0.0191(16) Uani 1 1 d . . . . .
H30' H 0.368552 1.005294 0.391457 0.023 Uiso 1 1 calc R U . . .
C31 C 0.5109(2) 0.6955(7) 0.2496(2) 0.0195(15) Uani 1 1 d . . . . .
C31' C 0.1178(2) 0.8653(6) 0.3966(2) 0.0172(15) Uani 1 1 d . . . . .
C32 C 0.5184(3) 0.7650(7) 0.2856(2) 0.0231(16) Uani 1 1 d . . . . .
C32' C 0.0729(2) 0.8801(7) 0.3903(2) 0.0203(16) Uani 1 1 d . . . . .
C33 C 0.4919(3) 0.8739(8) 0.2937(3) 0.0279(19) Uani 1 1 d . . . . .
C33' C 0.0504(2) 0.7989(7) 0.3631(2) 0.0211(17) Uani 1 1 d . . . . .
C34 C 0.4569(3) 0.9054(7) 0.2666(2) 0.0229(17) Uani 1 1 d . . . . .
C34' C 0.0735(2) 0.7093(7) 0.3401(2) 0.0170(15) Uani 1 1 d . . . . .
C35 C 0.3669(2) 0.9138(7) 0.2198(2) 0.0197(16) Uani 1 1 d . . . . .
C35' C 0.1335(2) 0.5647(7) 0.2768(2) 0.0182(16) Uani 1 1 d . . . . .
C36 C 0.3303(3) 0.9309(7) 0.1945(3) 0.0246(18) Uani 1 1 d . . . . .
C36' C 0.1585(3) 0.4780(8) 0.2541(3) 0.025(2) Uani 1 1 d . . . . .
C37 C 0.3282(2) 0.8726(7) 0.1553(2) 0.0216(17) Uani 1 1 d . . . . .
C37' C 0.1980(3) 0.4313(7) 0.2701(2) 0.0219(17) Uani 1 1 d . . . . .
C38 C 0.3636(2) 0.8000(7) 0.1412(2) 0.0179(16) Uani 1 1 d . . . . .
C38' C 0.2140(3) 0.4788(7) 0.3076(3) 0.0176(19) Uani 1 1 d . . . . .
C39 C 0.4400(3) 0.7077(7) 0.1524(3) 0.0152(17) Uani 1 1 d . . . . .
C39' C 0.2085(2) 0.6324(6) 0.3679(2) 0.0116(14) Uani 1 1 d . . . . .
C40 C 0.4719(2) 0.6669(6) 0.1805(2) 0.0111(14) Uani 1 1 d . . . . .
C40' C 0.1883(2) 0.7382(6) 0.3847(2) 0.0132(14) Uani 1 1 d . . . . .
C41 C 0.4758(2) 0.7269(7) 0.2215(2) 0.0167(15) Uani 1 1 d . . . . .
C41' C 0.1427(2) 0.7713(7) 0.3742(2) 0.0142(15) Uani 1 1 d . . . . .
C42 C 0.4456(2) 0.8284(7) 0.2321(2) 0.0169(15) Uani 1 1 d . . . . .
C42' C 0.1206(2) 0.6971(7) 0.3429(2) 0.0153(15) Uani 1 1 d . . . . .
C43 C 0.4050(2) 0.8471(7) 0.2063(2) 0.0169(15) Uani 1 1 d . . . . .
C43' C 0.1467(2) 0.6076(7) 0.3172(2) 0.0140(14) Uani 1 1 d . . . . .
C44 C 0.4029(2) 0.7863(7) 0.1654(2) 0.0137(15) Uani 1 1 d . . . . .
C44' C 0.1900(2) 0.5684(6) 0.3319(2) 0.0124(14) Uani 1 1 d . . . . .
C45 C 0.6306(2) 0.6205(6) 0.1005(2) 0.0136(14) Uani 1 1 d . . . . .
C45' C 0.2382(2) 0.8015(7) 0.2496(2) 0.0222(16) Uani 1 1 d . . . . .
C46 C 0.6761(2) 0.6066(6) 0.1047(2) 0.0158(15) Uani 1 1 d . . . . .
C46' C 0.2324(3) 0.7356(8) 0.2131(2) 0.0237(17) Uani 1 1 d . . . . .
C47 C 0.6992(2) 0.6920(7) 0.1307(2) 0.0208(17) Uani 1 1 d . . . . .
C47' C 0.2569(3) 0.6271(8) 0.2045(3) 0.0277(19) Uani 1 1 d . . . . .
C48 C 0.6772(2) 0.7819(7) 0.1542(2) 0.0165(15) Uani 1 1 d . . . . .
C48' C 0.2910(3) 0.5923(7) 0.2312(3) 0.0239(17) Uani 1 1 d . . . . .
C49 C 0.6195(2) 0.9260(7) 0.2199(2) 0.0180(16) Uani 1 1 d . . . . .
C49' C 0.3817(3) 0.5813(7) 0.2781(2) 0.0239(18) Uani 1 1 d . . . . .
C50 C 0.5961(3) 1.0154(7) 0.2425(3) 0.0171(19) Uani 1 1 d . . . . .
C50' C 0.4189(2) 0.5616(7) 0.3034(3) 0.0243(18) Uani 1 1 d . . . . .
C51 C 0.5551(2) 1.0610(7) 0.2272(2) 0.0209(16) Uani 1 1 d . . . . .
C51' C 0.4208(2) 0.6200(7) 0.3430(3) 0.0238(18) Uani 1 1 d . . . . .
C52 C 0.5382(3) 1.0137(7) 0.1901(3) 0.0162(19) Uani 1 1 d . . . . .
C52' C 0.3856(3) 0.6910(7) 0.3569(2) 0.0211(17) Uani 1 1 d . . . . .
C53 C 0.5409(2) 0.8543(7) 0.1309(2) 0.0132(14) Uani 1 1 d . . . . .
C53' C 0.3095(2) 0.7831(7) 0.3471(2) 0.0126(16) Uani 1 1 d . . . . .
C54 C 0.5601(2) 0.7451(6) 0.1148(2) 0.0123(14) Uani 1 1 d . . . . .
C54' C 0.2765(2) 0.8228(7) 0.3191(2) 0.0172(15) Uani 1 1 d . . . . .
C55 C 0.6062(2) 0.7136(7) 0.1232(2) 0.0129(14) Uani 1 1 d . . . . .
C55' C 0.2735(2) 0.7689(7) 0.2778(2) 0.0170(15) Uani 1 1 d . . . . .
C56 C 0.6300(2) 0.7912(6) 0.1535(2) 0.0131(14) Uani 1 1 d . . . . .
C56' C 0.3039(2) 0.6681(7) 0.2664(2) 0.0198(16) Uani 1 1 d . . . . .
C57 C 0.6045(2) 0.8804(6) 0.1801(2) 0.0129(14) Uani 1 1 d . . . . .
C57' C 0.3436(2) 0.6464(7) 0.2928(2) 0.0190(16) Uani 1 1 d . . . . .
C58 C 0.5610(2) 0.9203(6) 0.1662(2) 0.0131(14) Uani 1 1 d . . . . .
C58' C 0.3457(2) 0.7061(7) 0.3332(3) 0.0198(16) Uani 1 1 d . . . . .


_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
Sb1 Sb2 3.5666(7) . ?
Sb1 O1 2.124(4) . ?
Sb1 O2 2.016(5) . ?
Sb1 O3 2.572(5) . ?
Sb1 C1 2.148(9) . ?
Sb1 C7 2.125(6) . ?
Sb1 C13 2.107(7) . ?
Sb1' Sb2' 3.5942(7) . ?
Sb1' O1' 2.101(5) . ?
Sb1' O2' 2.021(4) . ?
Sb1' O3' 2.471(5) . ?
Sb1' C1' 2.151(7) . ?
Sb1' C7' 2.118(7) . ?
Sb1' C13' 2.115(6) . ?
Sb2 O1 2.428(4) . ?
Sb2 O3 2.114(5) . ?
Sb2 O4 2.026(4) . ?
Sb2 C2 2.164(7) . ?
Sb2 C19 2.105(7) . ?
Sb2 C25 2.118(6) . ?
Sb2' O3' 2.120(5) . ?
Sb2' O4' 1.989(5) . ?
Sb2' C2' 2.168(9) . ?
Sb2' C19' 2.108(7) . ?
Sb2' C25' 2.107(7) . ?
F1 C3 1.349(8) . ?
F1' C3' 1.338(9) . ?
F2 C4 1.355(10) . ?
F2' C4' 1.338(9) . ?
F3 C5 1.340(8) . ?
F3' C5' 1.329(10) . ?
F4 C6 1.352(8) . ?
F4' C6' 1.347(9) . ?
F5 C31 1.333(8) . ?
F5' C31' 1.345(8) . ?
F6 C32 1.331(9) . ?
F6' C32' 1.341(8) . ?
F7 C33 1.339(9) . ?
F7' C33' 1.338(8) . ?
F8 C34 1.333(9) . ?
F8' C34' 1.349(8) . ?
F9 C35 1.343(9) . ?
F9' C35' 1.349(8) . ?
F10 C36 1.359(9) . ?
F10' C36' 1.354(10) . ?
F11 C37 1.346(8) . ?
F11' C37' 1.340(8) . ?
F12 C38 1.338(8) . ?
F12' C38' 1.347(10) . ?
F13 C45 1.344(8) . ?
F13' C45' 1.339(9) . ?
F14 C46 1.345(8) . ?
F14' C46' 1.356(9) . ?
F15 C47 1.350(8) . ?
F15' C47' 1.345(9) . ?
F16 C48 1.340(8) . ?
F16' C48' 1.346(9) . ?
F17 C49 1.339(8) . ?
F17' C49' 1.343(9) . ?
F18 C50 1.335(10) . ?
F18' C50' 1.324(9) . ?
F19 C51 1.341(8) . ?
F19' C51' 1.349(9) . ?
F20 C52 1.349(10) . ?
F20' C52' 1.341(9) . ?
O1 C39 1.376(9) . ?
O1' C40' 1.381(8) . ?
O2 C40 1.341(8) . ?
O2' C39' 1.356(8) . ?
O3 C54 1.366(8) . ?
O3' C53' 1.377(9) . ?
O4 C53 1.341(8) . ?
O4' C54' 1.352(9) . ?
C1 C2 1.406(10) . ?
C1 C6 1.358(11) . ?
C1' C2' 1.386(11) . ?
C1' C6' 1.384(11) . ?
C2 C3 1.393(11) . ?
C2' C3' 1.369(11) . ?
C3 C4 1.372(11) . ?
C3' C4' 1.383(13) . ?
C4 C5 1.346(11) . ?
C4' C5' 1.365(13) . ?
C5 C6 1.402(11) . ?
C5' C6' 1.390(12) . ?
C7 C8 1.387(10) . ?
C7 C12 1.369(11) . ?
C7' C8' 1.368(10) . ?
C7' C12' 1.375(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.379(10) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.391(11) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(11) . ?
C9' H9' 0.9500 . ?
C9' C10' 1.338(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(11) . ?
C10' H10' 0.9500 . ?
C10' C11' 1.387(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(11) . ?
C11' H11' 0.9500 . ?
C11' C12' 1.395(11) . ?
C12 H12 0.9500 . ?
C12' H12' 0.9500 . ?
C13 C14 1.390(10) . ?
C13 C18 1.389(11) . ?
C13' C14' 1.380(11) . ?
C13' C18' 1.397(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.375(11) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.380(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(12) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.366(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.391(12) . ?
C16' H16' 0.9500 . ?
C16' C17' 1.409(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(12) . ?
C17' H17' 0.9500 . ?
C17' C18' 1.367(11) . ?
C18 H18 0.9500 . ?
C18' H18' 0.9500 . ?
C19 C20 1.387(10) . ?
C19 C24 1.394(11) . ?
C19' C20' 1.400(11) . ?
C19' C24' 1.389(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.389(11) . ?
C20' H20' 0.9500 . ?
C20' C21' 1.391(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.396(13) . ?
C21' H21' 0.9500 . ?
C21' C22' 1.377(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.374(12) . ?
C22' H22' 0.9500 . ?
C22' C23' 1.358(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(11) . ?
C23' H23' 0.9500 . ?
C23' C24' 1.392(11) . ?
C24 H24 0.9500 . ?
C24' H24' 0.9500 . ?
C25 C26 1.392(10) . ?
C25 C30 1.386(11) . ?
C25' C26' 1.372(11) . ?
C25' C30' 1.391(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.401(10) . ?
C26' H26' 0.9500 . ?
C26' C27' 1.389(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.355(12) . ?
C27' H27' 0.9500 . ?
C27' C28' 1.376(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.393(11) . ?
C28' H28' 0.9500 . ?
C28' C29' 1.371(12) . ?
C29 H29 0.9500 . ?
C29 C30 1.397(12) . ?
C29' H29' 0.9500 . ?
C29' C30' 1.398(10) . ?
C30 H30 0.9500 . ?
C30' H30' 0.9500 . ?
C31 C32 1.361(10) . ?
C31 C41 1.408(10) . ?
C31' C32' 1.360(10) . ?
C31' C41' 1.410(10) . ?
C32 C33 1.398(11) . ?
C32' C33' 1.374(11) . ?
C33 C34 1.386(11) . ?
C33' C34' 1.364(10) . ?
C34 C42 1.389(10) . ?
C34' C42' 1.409(10) . ?
C35 C36 1.362(11) . ?
C35 C43 1.394(10) . ?
C35' C36' 1.366(11) . ?
C35' C43' 1.405(10) . ?
C36 C37 1.377(11) . ?
C36' C37' 1.366(13) . ?
C37 C38 1.369(10) . ?
C37' C38' 1.365(12) . ?
C38 C44 1.404(10) . ?
C38' C44' 1.398(11) . ?
C39 C40 1.364(10) . ?
C39 C44 1.430(10) . ?
C39' C40' 1.357(9) . ?
C39' C44' 1.425(9) . ?
C40 C41 1.437(10) . ?
C40' C41' 1.438(9) . ?
C41 C42 1.423(10) . ?
C41' C42' 1.413(10) . ?
C42 C43 1.469(10) . ?
C42' C43' 1.453(10) . ?
C43 C44 1.434(10) . ?
C43' C44' 1.428(9) . ?
C45 C46 1.366(9) . ?
C45 C55 1.401(10) . ?
C45' C46' 1.349(11) . ?
C45' C55' 1.414(11) . ?
C46 C47 1.388(10) . ?
C46' C47' 1.365(11) . ?
C47 C48 1.358(10) . ?
C47' C48' 1.365(12) . ?
C48 C56 1.407(10) . ?
C48' C56' 1.413(10) . ?
C49 C50 1.359(11) . ?
C49 C57 1.413(10) . ?
C49' C50' 1.380(11) . ?
C49' C57' 1.397(10) . ?
C50 C51 1.393(11) . ?
C50' C51' 1.387(12) . ?
C51 C52 1.364(12) . ?
C51' C52' 1.351(11) . ?
C52 C58 1.401(11) . ?
C52' C58' 1.412(11) . ?
C53 C54 1.364(9) . ?
C53 C58 1.434(10) . ?
C53' C54' 1.379(10) . ?
C53' C58' 1.410(10) . ?
C54 C55 1.434(9) . ?
C54' C55' 1.421(10) . ?
C55 C56 1.436(10) . ?
C55' C56' 1.427(10) . ?
C56 C57 1.459(10) . ?
C56' C57' 1.462(11) . ?
C57 C58 1.428(9) . ?
C57' C58' 1.415(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sb1 Sb2 41.57(12) . . ?
O1 Sb1 O3 72.79(16) . . ?
O1 Sb1 C1 79.9(2) . . ?
O1 Sb1 C7 159.7(2) . . ?
O2 Sb1 Sb2 88.94(13) . . ?
O2 Sb1 O1 78.40(17) . . ?
O2 Sb1 O3 77.21(17) . . ?
O2 Sb1 C1 148.9(2) . . ?
O2 Sb1 C7 89.4(2) . . ?
O2 Sb1 C13 96.1(2) . . ?
O3 Sb1 Sb2 35.87(10) . . ?
C1 Sb1 Sb2 60.16(16) . . ?
C1 Sb1 O3 75.3(2) . . ?
C7 Sb1 Sb2 123.06(18) . . ?
C7 Sb1 O3 88.8(2) . . ?
C7 Sb1 C1 104.1(3) . . ?
C13 Sb1 Sb2 129.42(19) . . ?
C13 Sb1 O1 90.3(2) . . ?
C13 Sb1 O3 162.7(2) . . ?
C13 Sb1 C1 105.9(3) . . ?
C13 Sb1 C7 107.3(3) . . ?
O1' Sb1' Sb2' 46.73(15) . . ?
O1' Sb1' O3' 76.97(18) . . ?
O1' Sb1' C1' 79.7(2) . . ?
O1' Sb1' C7' 95.4(2) . . ?
O1' Sb1' C13' 160.1(2) . . ?
O2' Sb1' Sb2' 91.11(13) . . ?
O2' Sb1' O1' 78.56(19) . . ?
O2' Sb1' O3' 79.60(17) . . ?
O2' Sb1' C1' 150.5(2) . . ?
O2' Sb1' C7' 97.1(2) . . ?
O2' Sb1' C13' 90.7(2) . . ?
O3' Sb1' Sb2' 35.12(11) . . ?
C1' Sb1' Sb2' 59.4(2) . . ?
C1' Sb1' O3' 76.3(2) . . ?
C7' Sb1' Sb2' 138.63(19) . . ?
C7' Sb1' O3' 172.1(2) . . ?
C7' Sb1' C1' 104.5(3) . . ?
C13' Sb1' Sb2' 117.80(17) . . ?
C13' Sb1' O3' 84.7(2) . . ?
C13' Sb1' C1' 103.6(3) . . ?
C13' Sb1' C7' 102.6(3) . . ?
O1 Sb2 Sb1 35.47(10) . . ?
O3 Sb2 Sb1 45.46(13) . . ?
O3 Sb2 O1 76.05(16) . . ?
O3 Sb2 C2 79.4(2) . . ?
O3 Sb2 C25 160.5(2) . . ?
O4 Sb2 Sb1 91.47(13) . . ?
O4 Sb2 O1 80.24(16) . . ?
O4 Sb2 O3 78.43(17) . . ?
O4 Sb2 C2 151.1(2) . . ?
O4 Sb2 C19 97.0(2) . . ?
O4 Sb2 C25 89.8(2) . . ?
C2 Sb2 Sb1 59.7(2) . . ?
C2 Sb2 O1 76.6(2) . . ?
C19 Sb2 Sb1 135.8(2) . . ?
C19 Sb2 O1 170.1(2) . . ?
C19 Sb2 O3 94.1(2) . . ?
C19 Sb2 C2 102.9(3) . . ?
C19 Sb2 C25 102.9(3) . . ?
C25 Sb2 Sb1 120.48(18) . . ?
C25 Sb2 O1 86.7(2) . . ?
C25 Sb2 C2 105.7(3) . . ?
O3' Sb2' Sb1' 42.10(13) . . ?
O3' Sb2' C2' 79.5(3) . . ?
O4' Sb2' Sb1' 89.22(13) . . ?
O4' Sb2' O3' 78.49(18) . . ?
O4' Sb2' C2' 148.1(2) . . ?
O4' Sb2' C19' 89.6(2) . . ?
O4' Sb2' C25' 96.1(2) . . ?
C2' Sb2' Sb1' 59.1(2) . . ?
C19' Sb2' Sb1' 122.91(18) . . ?
C19' Sb2' O3' 160.1(2) . . ?
C19' Sb2' C2' 104.1(3) . . ?
C25' Sb2' Sb1' 130.09(19) . . ?
C25' Sb2' O3' 90.5(2) . . ?
C25' Sb2' C2' 107.0(3) . . ?
C25' Sb2' C19' 106.8(3) . . ?
Sb1 O1 Sb2 102.97(17) . . ?
C39 O1 Sb1 107.6(4) . . ?
C39 O1 Sb2 117.9(4) . . ?
C40' O1' Sb1' 109.4(4) . . ?
C40 O2 Sb1 111.5(4) . . ?
C39' O2' Sb1' 112.5(4) . . ?
Sb2 O3 Sb1 98.66(18) . . ?
C54 O3 Sb1 119.3(4) . . ?
C54 O3 Sb2 108.5(4) . . ?
Sb2' O3' Sb1' 102.78(18) . . ?
C53' O3' Sb1' 118.5(4) . . ?
C53' O3' Sb2' 107.9(4) . . ?
C53 O4 Sb2 111.9(4) . . ?
C54' O4' Sb2' 112.9(4) . . ?
C2 C1 Sb1 120.0(5) . . ?
C6 C1 Sb1 121.0(5) . . ?
C6 C1 C2 118.9(8) . . ?
C2' C1' Sb1' 120.9(6) . . ?
C6' C1' Sb1' 120.9(5) . . ?
C6' C1' C2' 118.2(7) . . ?
C1 C2 Sb2 120.0(6) . . ?
C3 C2 Sb2 121.9(5) . . ?
C3 C2 C1 118.1(7) . . ?
C1' C2' Sb2' 120.6(6) . . ?
C3' C2' Sb2' 119.2(6) . . ?
C3' C2' C1' 120.2(8) . . ?
F1 C3 C2 119.1(7) . . ?
F1 C3 C4 119.2(7) . . ?
C4 C3 C2 121.7(7) . . ?
F1' C3' C2' 121.6(8) . . ?
F1' C3' C4' 117.6(7) . . ?
C2' C3' C4' 120.8(8) . . ?
F2 C4 C3 118.4(7) . . ?
C5 C4 F2 121.3(8) . . ?
C5 C4 C3 120.2(8) . . ?
F2' C4' C3' 120.0(8) . . ?
F2' C4' C5' 119.8(9) . . ?
C5' C4' C3' 120.2(7) . . ?
F3 C5 C4 121.0(8) . . ?
F3 C5 C6 119.8(7) . . ?
C4 C5 C6 119.2(7) . . ?
F3' C5' C4' 119.9(8) . . ?
F3' C5' C6' 121.2(8) . . ?
C4' C5' C6' 118.8(8) . . ?
F4 C6 C1 121.2(7) . . ?
F4 C6 C5 116.9(7) . . ?
C1 C6 C5 121.9(7) . . ?
F4' C6' C1' 120.9(6) . . ?
F4' C6' C5' 117.4(7) . . ?
C1' C6' C5' 121.7(7) . . ?
C8 C7 Sb1 119.6(5) . . ?
C12 C7 Sb1 120.8(5) . . ?
C12 C7 C8 119.6(7) . . ?
C8' C7' Sb1' 122.6(5) . . ?
C8' C7' C12' 119.6(7) . . ?
C12' C7' Sb1' 117.8(5) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.6(7) . . ?
C9 C8 H8 120.2 . . ?
C7' C8' H8' 120.4 . . ?
C7' C8' C9' 119.3(7) . . ?
C9' C8' H8' 120.4 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.6(7) . . ?
C10 C9 H9 119.7 . . ?
C8' C9' H9' 119.0 . . ?
C10' C9' C8' 122.0(7) . . ?
C10' C9' H9' 119.0 . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.1(7) . . ?
C11 C10 H10 120.4 . . ?
C9' C10' H10' 120.3 . . ?
C9' C10' C11' 119.3(7) . . ?
C11' C10' H10' 120.3 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(8) . . ?
C12 C11 H11 119.8 . . ?
C10' C11' H11' 120.3 . . ?
C10' C11' C12' 119.4(8) . . ?
C12' C11' H11' 120.3 . . ?
C7 C12 C11 120.6(8) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C7' C12' C11' 120.3(7) . . ?
C7' C12' H12' 119.8 . . ?
C11' C12' H12' 119.8 . . ?
C14 C13 Sb1 119.6(5) . . ?
C18 C13 Sb1 118.7(5) . . ?
C18 C13 C14 121.3(7) . . ?
C14' C13' Sb1' 120.6(6) . . ?
C14' C13' C18' 119.3(7) . . ?
C18' C13' Sb1' 120.0(5) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 C13 118.2(7) . . ?
C15 C14 H14 120.9 . . ?
C13' C14' H14' 119.8 . . ?
C15' C14' C13' 120.3(8) . . ?
C15' C14' H14' 119.8 . . ?
C14 C15 H15 119.1 . . ?
C14 C15 C16 121.8(7) . . ?
C16 C15 H15 119.1 . . ?
C14' C15' H15' 119.7 . . ?
C16' C15' C14' 120.7(8) . . ?
C16' C15' H15' 119.7 . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.2(7) . . ?
C17 C16 H16 120.4 . . ?
C15' C16' H16' 120.2 . . ?
C15' C16' C17' 119.5(7) . . ?
C17' C16' H16' 120.2 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.2(8) . . ?
C18 C17 H17 119.9 . . ?
C16' C17' H17' 120.1 . . ?
C18' C17' C16' 119.8(7) . . ?
C18' C17' H17' 120.1 . . ?
C13 C18 H18 120.5 . . ?
C17 C18 C13 119.1(8) . . ?
C17 C18 H18 120.5 . . ?
C13' C18' H18' 119.8 . . ?
C17' C18' C13' 120.4(7) . . ?
C17' C18' H18' 119.8 . . ?
C20 C19 Sb2 120.6(5) . . ?
C20 C19 C24 120.2(7) . . ?
C24 C19 Sb2 119.2(6) . . ?
C20' C19' Sb2' 120.6(5) . . ?
C24' C19' Sb2' 119.9(5) . . ?
C24' C19' C20' 119.4(7) . . ?
C19 C20 H20 120.3 . . ?
C19 C20 C21 119.4(7) . . ?
C21 C20 H20 120.3 . . ?
C19' C20' H20' 120.1 . . ?
C21' C20' C19' 119.8(7) . . ?
C21' C20' H20' 120.1 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.8(7) . . ?
C22 C21 H21 119.6 . . ?
C20' C21' H21' 120.2 . . ?
C22' C21' C20' 119.5(7) . . ?
C22' C21' H21' 120.2 . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 119.0(7) . . ?
C23 C22 H22 120.5 . . ?
C21' C22' H22' 119.4 . . ?
C23' C22' C21' 121.2(7) . . ?
C23' C22' H22' 119.4 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.1(8) . . ?
C24 C23 H23 119.4 . . ?
C22' C23' H23' 119.9 . . ?
C22' C23' C24' 120.3(7) . . ?
C24' C23' H23' 119.9 . . ?
C19 C24 H24 120.3 . . ?
C23 C24 C19 119.5(8) . . ?
C23 C24 H24 120.3 . . ?
C19' C24' C23' 119.8(7) . . ?
C19' C24' H24' 120.1 . . ?
C23' C24' H24' 120.1 . . ?
C26 C25 Sb2 120.4(5) . . ?
C30 C25 Sb2 119.4(6) . . ?
C30 C25 C26 120.2(7) . . ?
C26' C25' Sb2' 120.0(6) . . ?
C26' C25' C30' 119.2(7) . . ?
C30' C25' Sb2' 120.6(5) . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.9(7) . . ?
C27 C26 H26 120.1 . . ?
C25' C26' H26' 119.3 . . ?
C25' C26' C27' 121.4(8) . . ?
C27' C26' H26' 119.3 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.8(7) . . ?
C28 C27 H27 120.1 . . ?
C26' C27' H27' 120.7 . . ?
C28' C27' C26' 118.7(8) . . ?
C28' C27' H27' 120.7 . . ?
C27 C28 H28 119.5 . . ?
C27 C28 C29 121.0(7) . . ?
C29 C28 H28 119.5 . . ?
C27' C28' H28' 119.3 . . ?
C29' C28' C27' 121.4(7) . . ?
C29' C28' H28' 119.3 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 119.9(7) . . ?
C30 C29 H29 120.0 . . ?
C28' C29' H29' 120.3 . . ?
C28' C29' C30' 119.5(7) . . ?
C30' C29' H29' 120.3 . . ?
C25 C30 C29 119.3(8) . . ?
C25 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C25' C30' C29' 119.9(7) . . ?
C25' C30' H30' 120.1 . . ?
C29' C30' H30' 120.1 . . ?
F5 C31 C32 117.2(6) . . ?
F5 C31 C41 121.3(6) . . ?
C32 C31 C41 121.5(7) . . ?
F5' C31' C32' 117.5(6) . . ?
F5' C31' C41' 121.1(6) . . ?
C32' C31' C41' 121.3(7) . . ?
F6 C32 C31 121.1(7) . . ?
F6 C32 C33 119.7(7) . . ?
C31 C32 C33 119.1(7) . . ?
F6' C32' C31' 120.4(7) . . ?
F6' C32' C33' 119.4(7) . . ?
C31' C32' C33' 120.1(6) . . ?
F7 C33 C32 118.7(7) . . ?
F7 C33 C34 121.2(7) . . ?
C34 C33 C32 120.1(7) . . ?
F7' C33' C32' 120.1(7) . . ?
F7' C33' C34' 119.7(7) . . ?
C34' C33' C32' 120.0(7) . . ?
F8 C34 C33 115.0(7) . . ?
F8 C34 C42 122.7(7) . . ?
C33 C34 C42 121.8(7) . . ?
F8' C34' C33' 117.3(6) . . ?
F8' C34' C42' 120.3(6) . . ?
C33' C34' C42' 122.0(7) . . ?
F9 C35 C36 115.8(6) . . ?
F9 C35 C43 121.7(7) . . ?
C36 C35 C43 122.3(7) . . ?
F9' C35' C36' 116.9(7) . . ?
F9' C35' C43' 120.8(6) . . ?
C36' C35' C43' 122.0(7) . . ?
F10 C36 C35 120.9(7) . . ?
F10 C36 C37 118.6(7) . . ?
C35 C36 C37 120.4(7) . . ?
F10' C36' C35' 119.0(8) . . ?
F10' C36' C37' 120.5(7) . . ?
C35' C36' C37' 120.5(8) . . ?
F11 C37 C36 119.9(7) . . ?
F11 C37 C38 120.4(7) . . ?
C38 C37 C36 119.7(7) . . ?
F11' C37' C36' 119.8(7) . . ?
F11' C37' C38' 120.6(7) . . ?
C38' C37' C36' 119.4(7) . . ?
F12 C38 C37 117.6(6) . . ?
F12 C38 C44 120.8(6) . . ?
C37 C38 C44 121.5(7) . . ?
F12' C38' C37' 117.2(7) . . ?
F12' C38' C44' 120.5(7) . . ?
C37' C38' C44' 122.3(8) . . ?
O1 C39 C44 122.2(7) . . ?
C40 C39 O1 116.0(6) . . ?
C40 C39 C44 121.7(7) . . ?
O2' C39' C40' 118.3(6) . . ?
O2' C39' C44' 120.5(6) . . ?
C40' C39' C44' 121.0(6) . . ?
O2 C40 C39 118.9(6) . . ?
O2 C40 C41 120.2(6) . . ?
C39 C40 C41 120.4(6) . . ?
O1' C40' C41' 122.2(6) . . ?
C39' C40' O1' 116.2(6) . . ?
C39' C40' C41' 121.4(6) . . ?
C31 C41 C40 121.8(6) . . ?
C31 C41 C42 119.4(7) . . ?
C42 C41 C40 118.6(7) . . ?
C31' C41' C40' 123.0(7) . . ?
C31' C41' C42' 118.7(6) . . ?
C42' C41' C40' 118.0(6) . . ?
C34 C42 C41 117.1(7) . . ?
C34 C42 C43 123.8(7) . . ?
C41 C42 C43 119.1(6) . . ?
C34' C42' C41' 117.1(6) . . ?
C34' C42' C43' 123.6(7) . . ?
C41' C42' C43' 119.2(6) . . ?
C35 C43 C42 124.3(7) . . ?
C35 C43 C44 117.2(7) . . ?
C44 C43 C42 118.3(6) . . ?
C35' C43' C42' 123.9(6) . . ?
C35' C43' C44' 117.1(6) . . ?
C44' C43' C42' 118.9(6) . . ?
C38 C44 C39 122.9(7) . . ?
C38 C44 C43 118.6(6) . . ?
C39 C44 C43 118.3(6) . . ?
C38' C44' C39' 123.2(7) . . ?
C38' C44' C43' 118.1(7) . . ?
C39' C44' C43' 118.3(6) . . ?
F13 C45 C46 116.7(6) . . ?
F13 C45 C55 120.7(6) . . ?
C46 C45 C55 122.4(6) . . ?
F13' C45' C46' 118.2(7) . . ?
F13' C45' C55' 121.0(6) . . ?
C46' C45' C55' 120.7(7) . . ?
F14 C46 C45 120.5(6) . . ?
F14 C46 C47 120.3(6) . . ?
C45 C46 C47 118.8(6) . . ?
F14' C46' C47' 119.1(7) . . ?
C45' C46' F14' 119.8(7) . . ?
C45' C46' C47' 121.0(7) . . ?
F15 C47 C46 119.3(6) . . ?
F15 C47 C48 119.4(7) . . ?
C48 C47 C46 121.2(6) . . ?
F15' C47' C46' 120.3(7) . . ?
F15' C47' C48' 120.1(7) . . ?
C48' C47' C46' 119.6(7) . . ?
F16 C48 C47 117.9(6) . . ?
F16 C48 C56 120.5(6) . . ?
C47 C48 C56 121.4(7) . . ?
F16' C48' C47' 117.0(7) . . ?
F16' C48' C56' 120.2(7) . . ?
C47' C48' C56' 122.6(7) . . ?
F17 C49 C50 117.0(7) . . ?
F17 C49 C57 120.7(6) . . ?
C50 C49 C57 122.0(7) . . ?
F17' C49' C50' 115.1(6) . . ?
F17' C49' C57' 122.9(7) . . ?
C50' C49' C57' 122.0(7) . . ?
F18 C50 C49 121.0(7) . . ?
F18 C50 C51 118.9(7) . . ?
C49 C50 C51 119.9(7) . . ?
F18' C50' C49' 119.8(7) . . ?
F18' C50' C51' 120.7(7) . . ?
C49' C50' C51' 119.2(7) . . ?
F19 C51 C50 119.5(7) . . ?
F19 C51 C52 120.7(7) . . ?
C52 C51 C50 119.8(7) . . ?
F19' C51' C50' 119.2(6) . . ?
F19' C51' C52' 120.9(7) . . ?
C52' C51' C50' 119.8(7) . . ?
F20 C52 C51 117.2(7) . . ?
F20 C52 C58 120.7(7) . . ?
C51 C52 C58 122.0(8) . . ?
F20' C52' C51' 117.1(7) . . ?
F20' C52' C58' 120.1(7) . . ?
C51' C52' C58' 122.7(7) . . ?
O4 C53 C54 118.5(6) . . ?
O4 C53 C58 120.5(6) . . ?
C54 C53 C58 120.7(6) . . ?
O3' C53' C54' 115.3(6) . . ?
O3' C53' C58' 123.8(7) . . ?
C54' C53' C58' 120.9(7) . . ?
O3 C54 C55 121.6(6) . . ?
C53 C54 O3 116.6(6) . . ?
C53 C54 C55 121.3(6) . . ?
O4' C54' C53' 117.7(6) . . ?
O4' C54' C55' 121.2(7) . . ?
C53' C54' C55' 120.9(7) . . ?
C45 C55 C54 123.9(6) . . ?
C45 C55 C56 117.9(6) . . ?
C54 C55 C56 117.8(6) . . ?
C45' C55' C54' 122.0(7) . . ?
C45' C55' C56' 119.1(7) . . ?
C54' C55' C56' 118.5(7) . . ?
C48 C56 C55 117.6(6) . . ?
C48 C56 C57 123.6(6) . . ?
C55 C56 C57 118.7(6) . . ?
C48' C56' C55' 115.5(7) . . ?
C48' C56' C57' 125.6(7) . . ?
C55' C56' C57' 118.8(6) . . ?
C49 C57 C56 123.8(6) . . ?
C49 C57 C58 117.5(6) . . ?
C58 C57 C56 118.7(6) . . ?
C49' C57' C56' 122.7(7) . . ?
C49' C57' C58' 118.3(7) . . ?
C58' C57' C56' 118.7(6) . . ?
C52 C58 C53 123.0(6) . . ?
C52 C58 C57 118.3(7) . . ?
C57 C58 C53 118.4(6) . . ?
C52' C58' C57' 117.7(7) . . ?
C53' C58' C52' 122.7(7) . . ?
C53' C58' C57' 119.5(7) . . ?

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
Sb1 O1 C39 C40 22.0(7) . . . . ?
Sb1 O1 C39 C44 -155.0(6) . . . . ?
Sb1 O2 C40 C39 -17.4(7) . . . . ?
Sb1 O2 C40 C41 171.1(5) . . . . ?
Sb1 O3 C54 C53 -91.6(6) . . . . ?
Sb1 O3 C54 C55 96.1(6) . . . . ?
Sb1 C1 C2 Sb2 -2.6(9) . . . . ?
Sb1 C1 C2 C3 176.3(6) . . . . ?
Sb1 C1 C6 F4 4.1(11) . . . . ?
Sb1 C1 C6 C5 -176.0(6) . . . . ?
Sb1 C7 C8 C9 177.1(6) . . . . ?
Sb1 C7 C12 C11 -176.7(6) . . . . ?
Sb1 C13 C14 C15 -175.1(5) . . . . ?
Sb1 C13 C18 C17 175.3(6) . . . . ?
Sb1' O1' C40' C39' -19.0(7) . . . . ?
Sb1' O1' C40' C41' 155.8(5) . . . . ?
Sb1' O2' C39' C40' 13.2(7) . . . . ?
Sb1' O2' C39' C44' -172.7(5) . . . . ?
Sb1' O3' C53' C54' 92.6(6) . . . . ?
Sb1' O3' C53' C58' -88.3(7) . . . . ?
Sb1' C1' C2' Sb2' 2.1(9) . . . . ?
Sb1' C1' C2' C3' -178.5(6) . . . . ?
Sb1' C1' C6' F4' 0.3(10) . . . . ?
Sb1' C1' C6' C5' -179.3(6) . . . . ?
Sb1' C7' C8' C9' 179.3(6) . . . . ?
Sb1' C7' C12' C11' -179.4(6) . . . . ?
Sb1' C13' C14' C15' -178.5(6) . . . . ?
Sb1' C13' C18' C17' 179.1(6) . . . . ?
Sb2 O1 C39 C40 -93.7(6) . . . . ?
Sb2 O1 C39 C44 89.2(7) . . . . ?
Sb2 O3 C54 C53 20.1(7) . . . . ?
Sb2 O3 C54 C55 -152.2(5) . . . . ?
Sb2 O4 C53 C54 -15.2(7) . . . . ?
Sb2 O4 C53 C58 171.6(5) . . . . ?
Sb2 C2 C3 F1 -1.2(10) . . . . ?
Sb2 C2 C3 C4 -179.5(6) . . . . ?
Sb2 C19 C20 C21 179.9(6) . . . . ?
Sb2 C19 C24 C23 179.0(6) . . . . ?
Sb2 C25 C26 C27 179.4(6) . . . . ?
Sb2 C25 C30 C29 -179.2(6) . . . . ?
Sb2' O3' C53' C54' -23.6(7) . . . . ?
Sb2' O3' C53' C58' 155.5(6) . . . . ?
Sb2' O4' C54' C53' 15.5(8) . . . . ?
Sb2' O4' C54' C55' -168.4(5) . . . . ?
Sb2' C2' C3' F1' -3.6(10) . . . . ?
Sb2' C2' C3' C4' 178.0(6) . . . . ?
Sb2' C19' C20' C21' 175.4(6) . . . . ?
Sb2' C19' C24' C23' -176.0(6) . . . . ?
Sb2' C25' C26' C27' -174.9(7) . . . . ?
Sb2' C25' C30' C29' 175.5(5) . . . . ?
F1 C3 C4 F2 2.0(12) . . . . ?
F1 C3 C4 C5 -178.9(7) . . . . ?
F1' C3' C4' F2' 1.3(11) . . . . ?
F1' C3' C4' C5' -179.6(7) . . . . ?
F2 C4 C5 F3 -2.5(14) . . . . ?
F2 C4 C5 C6 179.8(8) . . . . ?
F2' C4' C5' F3' -1.2(13) . . . . ?
F2' C4' C5' C6' -177.6(7) . . . . ?
F3 C5 C6 F4 0.0(11) . . . . ?
F3 C5 C6 C1 -179.9(7) . . . . ?
F3' C5' C6' F4' 1.0(12) . . . . ?
F3' C5' C6' C1' -179.3(8) . . . . ?
F5 C31 C32 F6 -3.2(11) . . . . ?
F5 C31 C32 C33 174.8(7) . . . . ?
F5 C31 C41 C40 -7.6(11) . . . . ?
F5 C31 C41 C42 178.0(6) . . . . ?
F5' C31' C32' F6' 2.7(10) . . . . ?
F5' C31' C32' C33' -174.2(6) . . . . ?
F5' C31' C41' C40' 7.4(11) . . . . ?
F5' C31' C41' C42' -179.0(6) . . . . ?
F6 C32 C33 F7 3.7(11) . . . . ?
F6 C32 C33 C34 -177.9(7) . . . . ?
F6' C32' C33' F7' -5.8(10) . . . . ?
F6' C32' C33' C34' 178.4(6) . . . . ?
F7 C33 C34 F8 8.2(12) . . . . ?
F7 C33 C34 C42 -178.9(7) . . . . ?
F7' C33' C34' F8' -4.0(10) . . . . ?
F7' C33' C34' C42' -176.5(6) . . . . ?
F8 C34 C42 C41 162.6(7) . . . . ?
F8 C34 C42 C43 -16.8(11) . . . . ?
F8' C34' C42' C41' -165.0(6) . . . . ?
F8' C34' C42' C43' 11.1(10) . . . . ?
F9 C35 C36 F10 6.1(10) . . . . ?
F9 C35 C36 C37 -169.9(7) . . . . ?
F9 C35 C43 C42 -6.1(11) . . . . ?
F9 C35 C43 C44 169.8(6) . . . . ?
F9' C35' C36' F10' -6.4(12) . . . . ?
F9' C35' C36' C37' 172.8(7) . . . . ?
F9' C35' C43' C42' 8.0(11) . . . . ?
F9' C35' C43' C44' -166.5(6) . . . . ?
F10 C36 C37 F11 1.1(11) . . . . ?
F10 C36 C37 C38 -177.8(7) . . . . ?
F10' C36' C37' F11' -0.8(13) . . . . ?
F10' C36' C37' C38' 174.5(8) . . . . ?
F11 C37 C38 F12 -4.1(10) . . . . ?
F11 C37 C38 C44 179.3(6) . . . . ?
F11' C37' C38' F12' 0.8(11) . . . . ?
F11' C37' C38' C44' 179.4(7) . . . . ?
F12 C38 C44 C39 1.3(10) . . . . ?
F12 C38 C44 C43 -174.7(6) . . . . ?
F12' C38' C44' C39' 7.4(11) . . . . ?
F12' C38' C44' C43' -179.4(6) . . . . ?
F13 C45 C46 F14 -0.6(9) . . . . ?
F13 C45 C46 C47 172.2(6) . . . . ?
F13 C45 C55 C54 -5.7(10) . . . . ?
F13 C45 C55 C56 -179.0(6) . . . . ?
F13' C45' C46' F14' 0.0(11) . . . . ?
F13' C45' C46' C47' -175.2(7) . . . . ?
F13' C45' C55' C54' 12.3(11) . . . . ?
F13' C45' C55' C56' -175.1(6) . . . . ?
F14 C46 C47 F15 2.0(10) . . . . ?
F14 C46 C47 C48 177.7(6) . . . . ?
F14' C46' C47' F15' -3.2(12) . . . . ?
F14' C46' C47' C48' 178.0(7) . . . . ?
F15 C47 C48 F16 2.0(10) . . . . ?
F15 C47 C48 C56 176.5(6) . . . . ?
F15' C47' C48' F16' -6.9(11) . . . . ?
F15' C47' C48' C56' 177.6(7) . . . . ?
F16 C48 C56 C55 166.6(6) . . . . ?
F16 C48 C56 C57 -9.6(10) . . . . ?
F16' C48' C56' C55' -162.8(7) . . . . ?
F16' C48' C56' C57' 13.4(11) . . . . ?
F17 C49 C50 F18 4.4(11) . . . . ?
F17 C49 C50 C51 -171.4(7) . . . . ?
F17 C49 C57 C56 -10.5(10) . . . . ?
F17 C49 C57 C58 166.7(6) . . . . ?
F17' C49' C50' F18' -5.0(10) . . . . ?
F17' C49' C50' C51' 170.0(7) . . . . ?
F17' C49' C57' C56' 3.0(11) . . . . ?
F17' C49' C57' C58' -169.7(7) . . . . ?
F18 C50 C51 F19 4.2(11) . . . . ?
F18 C50 C51 C52 -174.5(7) . . . . ?
F18' C50' C51' F19' -0.9(11) . . . . ?
F18' C50' C51' C52' 177.4(7) . . . . ?
F19 C51 C52 F20 -3.1(11) . . . . ?
F19 C51 C52 C58 -179.3(7) . . . . ?
F19' C51' C52' F20' 3.5(10) . . . . ?
F19' C51' C52' C58' -179.8(6) . . . . ?
F20 C52 C58 C53 -6.2(12) . . . . ?
F20 C52 C58 C57 179.9(6) . . . . ?
F20' C52' C58' C53' -1.6(11) . . . . ?
F20' C52' C58' C57' 174.9(6) . . . . ?
O1 C39 C40 O2 -4.3(9) . . . . ?
O1 C39 C40 C41 167.2(6) . . . . ?
O1 C39 C44 C38 15.3(11) . . . . ?
O1 C39 C44 C43 -168.7(6) . . . . ?
O1' C40' C41' C31' -6.7(11) . . . . ?
O1' C40' C41' C42' 179.7(6) . . . . ?
O2 C40 C41 C31 -2.6(10) . . . . ?
O2 C40 C41 C42 172.0(6) . . . . ?
O2' C39' C40' O1' 4.6(9) . . . . ?
O2' C39' C40' C41' -170.3(6) . . . . ?
O2' C39' C44' C38' -8.8(10) . . . . ?
O2' C39' C44' C43' 177.9(6) . . . . ?
O3 C54 C55 C45 6.6(10) . . . . ?
O3 C54 C55 C56 180.0(6) . . . . ?
O3' C53' C54' O4' 6.8(10) . . . . ?
O3' C53' C54' C55' -169.3(6) . . . . ?
O3' C53' C58' C52' -16.0(11) . . . . ?
O3' C53' C58' C57' 167.5(6) . . . . ?
O4 C53 C54 O3 -4.2(9) . . . . ?
O4 C53 C54 C55 168.2(6) . . . . ?
O4 C53 C58 C52 8.1(11) . . . . ?
O4 C53 C58 C57 -178.1(6) . . . . ?
O4' C54' C55' C45' -0.4(11) . . . . ?
O4' C54' C55' C56' -173.0(6) . . . . ?
C1 C2 C3 F1 180.0(7) . . . . ?
C1 C2 C3 C4 1.7(12) . . . . ?
C1' C2' C3' F1' 177.0(7) . . . . ?
C1' C2' C3' C4' -1.4(12) . . . . ?
C2 C1 C6 F4 -176.7(7) . . . . ?
C2 C1 C6 C5 3.3(12) . . . . ?
C2 C3 C4 F2 -179.6(8) . . . . ?
C2 C3 C4 C5 -0.5(14) . . . . ?
C2' C1' C6' F4' -179.9(7) . . . . ?
C2' C1' C6' C5' 0.4(12) . . . . ?
C2' C3' C4' F2' 179.7(7) . . . . ?
C2' C3' C4' C5' -1.2(13) . . . . ?
C3 C4 C5 F3 178.4(7) . . . . ?
C3 C4 C5 C6 0.7(14) . . . . ?
C3' C4' C5' F3' 179.7(8) . . . . ?
C3' C4' C5' C6' 3.3(13) . . . . ?
C4 C5 C6 F4 177.8(7) . . . . ?
C4 C5 C6 C1 -2.1(13) . . . . ?
C4' C5' C6' F4' 177.4(7) . . . . ?
C4' C5' C6' C1' -2.9(13) . . . . ?
C6 C1 C2 Sb2 178.2(6) . . . . ?
C6 C1 C2 C3 -3.0(12) . . . . ?
C6' C1' C2' Sb2' -177.7(6) . . . . ?
C6' C1' C2' C3' 1.7(12) . . . . ?
C7 C8 C9 C10 0.1(12) . . . . ?
C7' C8' C9' C10' -1.6(12) . . . . ?
C8 C7 C12 C11 1.2(12) . . . . ?
C8 C9 C10 C11 0.3(13) . . . . ?
C8' C7' C12' C11' -0.2(12) . . . . ?
C8' C9' C10' C11' 3.1(13) . . . . ?
C9 C10 C11 C12 0.1(12) . . . . ?
C9' C10' C11' C12' -3.0(12) . . . . ?
C10 C11 C12 C7 -0.8(13) . . . . ?
C10' C11' C12' C7' 1.6(13) . . . . ?
C12 C7 C8 C9 -0.8(12) . . . . ?
C12' C7' C8' C9' 0.1(11) . . . . ?
C13 C14 C15 C16 0.4(11) . . . . ?
C13' C14' C15' C16' 0.0(13) . . . . ?
C14 C13 C18 C17 1.5(11) . . . . ?
C14 C15 C16 C17 0.1(12) . . . . ?
C14' C13' C18' C17' 1.5(11) . . . . ?
C14' C15' C16' C17' 0.4(13) . . . . ?
C15 C16 C17 C18 0.1(12) . . . . ?
C15' C16' C17' C18' 0.3(13) . . . . ?
C16 C17 C18 C13 -0.8(12) . . . . ?
C16' C17' C18' C13' -1.2(12) . . . . ?
C18 C13 C14 C15 -1.3(11) . . . . ?
C18' C13' C14' C15' -0.9(12) . . . . ?
C19 C20 C21 C22 0.5(12) . . . . ?
C19' C20' C21' C22' 1.1(12) . . . . ?
C20 C19 C24 C23 -1.7(12) . . . . ?
C20 C21 C22 C23 -0.5(13) . . . . ?
C20' C19' C24' C23' -0.4(11) . . . . ?
C20' C21' C22' C23' -1.4(13) . . . . ?
C21 C22 C23 C24 -0.7(13) . . . . ?
C21' C22' C23' C24' 0.9(13) . . . . ?
C22 C23 C24 C19 1.8(13) . . . . ?
C22' C23' C24' C19' 0.0(12) . . . . ?
C24 C19 C20 C21 0.6(11) . . . . ?
C24' C19' C20' C21' -0.2(11) . . . . ?
C25 C26 C27 C28 0.1(12) . . . . ?
C25' C26' C27' C28' -0.8(14) . . . . ?
C26 C25 C30 C29 1.3(12) . . . . ?
C26 C27 C28 C29 0.6(13) . . . . ?
C26' C25' C30' C29' 0.0(11) . . . . ?
C26' C27' C28' C29' 0.4(13) . . . . ?
C27 C28 C29 C30 -0.4(13) . . . . ?
C27' C28' C29' C30' 0.2(12) . . . . ?
C28 C29 C30 C25 -0.6(12) . . . . ?
C28' C29' C30' C25' -0.4(11) . . . . ?
C30 C25 C26 C27 -1.1(11) . . . . ?
C30' C25' C26' C27' 0.6(13) . . . . ?
C31 C32 C33 F7 -174.4(7) . . . . ?
C31 C32 C33 C34 4.0(12) . . . . ?
C31 C41 C42 C34 10.3(10) . . . . ?
C31 C41 C42 C43 -170.3(6) . . . . ?
C31' C32' C33' F7' 171.2(6) . . . . ?
C31' C32' C33' C34' -4.6(11) . . . . ?
C31' C41' C42' C34' -8.8(10) . . . . ?
C31' C41' C42' C43' 175.0(6) . . . . ?
C32 C31 C41 C40 170.5(7) . . . . ?
C32 C31 C41 C42 -4.0(11) . . . . ?
C32 C33 C34 F8 -170.2(7) . . . . ?
C32 C33 C34 C42 2.7(12) . . . . ?
C32' C31' C41' C40' -169.6(7) . . . . ?
C32' C31' C41' C42' 4.0(11) . . . . ?
C32' C33' C34' F8' 171.9(6) . . . . ?
C32' C33' C34' C42' -0.6(11) . . . . ?
C33 C34 C42 C41 -9.8(11) . . . . ?
C33 C34 C42 C43 170.8(7) . . . . ?
C33' C34' C42' C41' 7.3(10) . . . . ?
C33' C34' C42' C43' -176.6(7) . . . . ?
C34 C42 C43 C35 -20.8(11) . . . . ?
C34 C42 C43 C44 163.3(7) . . . . ?
C34' C42' C43' C35' 27.8(10) . . . . ?
C34' C42' C43' C44' -157.8(7) . . . . ?
C35 C36 C37 F11 177.1(7) . . . . ?
C35 C36 C37 C38 -1.8(11) . . . . ?
C35 C43 C44 C38 1.7(10) . . . . ?
C35 C43 C44 C39 -174.5(6) . . . . ?
C35' C36' C37' F11' -180.0(7) . . . . ?
C35' C36' C37' C38' -4.6(13) . . . . ?
C35' C43' C44' C38' -7.4(10) . . . . ?
C35' C43' C44' C39' 166.2(6) . . . . ?
C36 C35 C43 C42 178.7(7) . . . . ?
C36 C35 C43 C44 -5.4(11) . . . . ?
C36 C37 C38 F12 174.8(6) . . . . ?
C36 C37 C38 C44 -1.8(11) . . . . ?
C36' C35' C43' C42' -178.4(7) . . . . ?
C36' C35' C43' C44' 7.0(11) . . . . ?
C36' C37' C38' F12' -174.5(7) . . . . ?
C36' C37' C38' C44' 4.1(13) . . . . ?
C37 C38 C44 C39 177.8(7) . . . . ?
C37 C38 C44 C43 1.8(10) . . . . ?
C37' C38' C44' C39' -171.2(7) . . . . ?
C37' C38' C44' C43' 2.0(11) . . . . ?
C39 C40 C41 C31 -173.9(7) . . . . ?
C39 C40 C41 C42 0.6(10) . . . . ?
C39' C40' C41' C31' 167.9(7) . . . . ?
C39' C40' C41' C42' -5.7(10) . . . . ?
C40 C39 C44 C38 -161.6(7) . . . . ?
C40 C39 C44 C43 14.4(10) . . . . ?
C40 C41 C42 C34 -164.3(6) . . . . ?
C40 C41 C42 C43 15.1(9) . . . . ?
C40' C39' C44' C38' 165.0(7) . . . . ?
C40' C39' C44' C43' -8.2(10) . . . . ?
C40' C41' C42' C34' 165.1(6) . . . . ?
C40' C41' C42' C43' -11.1(10) . . . . ?
C41 C31 C32 F6 178.7(7) . . . . ?
C41 C31 C32 C33 -3.3(11) . . . . ?
C41 C42 C43 C35 159.8(7) . . . . ?
C41 C42 C43 C44 -16.1(10) . . . . ?
C41' C31' C32' F6' 179.9(6) . . . . ?
C41' C31' C32' C33' 2.9(11) . . . . ?
C41' C42' C43' C35' -156.3(7) . . . . ?
C41' C42' C43' C44' 18.2(9) . . . . ?
C42 C43 C44 C38 177.8(6) . . . . ?
C42 C43 C44 C39 1.7(10) . . . . ?
C42' C43' C44' C38' 177.8(7) . . . . ?
C42' C43' C44' C39' -8.6(9) . . . . ?
C43 C35 C36 F10 -178.5(6) . . . . ?
C43 C35 C36 C37 5.5(12) . . . . ?
C43' C35' C36' F10' 179.8(7) . . . . ?
C43' C35' C36' C37' -1.1(13) . . . . ?
C44 C39 C40 O2 172.8(6) . . . . ?
C44 C39 C40 C41 -15.8(10) . . . . ?
C44' C39' C40' O1' -169.4(6) . . . . ?
C44' C39' C40' C41' 15.7(10) . . . . ?
C45 C46 C47 F15 -170.8(6) . . . . ?
C45 C46 C47 C48 4.9(11) . . . . ?
C45 C55 C56 C48 9.0(9) . . . . ?
C45 C55 C56 C57 -174.6(6) . . . . ?
C45' C46' C47' F15' 172.0(7) . . . . ?
C45' C46' C47' C48' -6.8(12) . . . . ?
C45' C55' C56' C48' -11.6(10) . . . . ?
C45' C55' C56' C57' 172.0(7) . . . . ?
C46 C45 C55 C54 169.6(6) . . . . ?
C46 C45 C55 C56 -3.7(10) . . . . ?
C46 C47 C48 F16 -173.7(6) . . . . ?
C46 C47 C48 C56 0.7(11) . . . . ?
C46' C45' C55' C54' -170.3(7) . . . . ?
C46' C45' C55' C56' 2.2(11) . . . . ?
C46' C47' C48' F16' 171.9(7) . . . . ?
C46' C47' C48' C56' -3.6(12) . . . . ?
C47 C48 C56 C55 -7.8(10) . . . . ?
C47 C48 C56 C57 176.1(7) . . . . ?
C47' C48' C56' C55' 12.5(11) . . . . ?
C47' C48' C56' C57' -171.3(7) . . . . ?
C48 C56 C57 C49 -27.6(10) . . . . ?
C48 C56 C57 C58 155.3(6) . . . . ?
C48' C56' C57' C49' 24.6(12) . . . . ?
C48' C56' C57' C58' -162.8(7) . . . . ?
C49 C50 C51 F19 -179.9(7) . . . . ?
C49 C50 C51 C52 1.4(12) . . . . ?
C49 C57 C58 C52 7.6(10) . . . . ?
C49 C57 C58 C53 -166.6(6) . . . . ?
C49' C50' C51' F19' -175.9(6) . . . . ?
C49' C50' C51' C52' 2.5(11) . . . . ?
C49' C57' C58' C52' -2.8(10) . . . . ?
C49' C57' C58' C53' 173.8(7) . . . . ?
C50 C49 C57 C56 175.8(7) . . . . ?
C50 C49 C57 C58 -7.0(10) . . . . ?
C50 C51 C52 F20 175.6(7) . . . . ?
C50 C51 C52 C58 -0.6(13) . . . . ?
C50' C49' C57' C56' 180.0(7) . . . . ?
C50' C49' C57' C58' 7.3(11) . . . . ?
C50' C51' C52' F20' -174.8(6) . . . . ?
C50' C51' C52' C58' 1.9(11) . . . . ?
C51 C52 C58 C53 169.8(7) . . . . ?
C51 C52 C58 C57 -4.0(12) . . . . ?
C51' C52' C58' C53' -178.2(7) . . . . ?
C51' C52' C58' C57' -1.7(11) . . . . ?
C53 C54 C55 C45 -165.4(7) . . . . ?
C53 C54 C55 C56 8.0(10) . . . . ?
C53' C54' C55' C45' 175.6(7) . . . . ?
C53' C54' C55' C56' 3.0(10) . . . . ?
C54 C53 C58 C52 -165.0(7) . . . . ?
C54 C53 C58 C57 8.8(10) . . . . ?
C54 C55 C56 C48 -164.7(6) . . . . ?
C54 C55 C56 C57 11.7(9) . . . . ?
C54' C53' C58' C52' 163.0(7) . . . . ?
C54' C53' C58' C57' -13.4(11) . . . . ?
C54' C55' C56' C48' 161.2(7) . . . . ?
C54' C55' C56' C57' -15.2(10) . . . . ?
C55 C45 C46 F14 -176.1(6) . . . . ?
C55 C45 C46 C47 -3.3(10) . . . . ?
C55 C56 C57 C49 156.3(7) . . . . ?
C55 C56 C57 C58 -20.9(9) . . . . ?
C55' C45' C46' F14' -177.5(7) . . . . ?
C55' C45' C46' C47' 7.4(12) . . . . ?
C55' C56' C57' C49' -159.3(7) . . . . ?
C55' C56' C57' C58' 13.3(10) . . . . ?
C56 C57 C58 C52 -175.1(7) . . . . ?
C56 C57 C58 C53 10.8(9) . . . . ?
C56' C57' C58' C52' -175.8(6) . . . . ?
C56' C57' C58' C53' 0.9(10) . . . . ?
C57 C49 C50 F18 178.4(7) . . . . ?
C57 C49 C50 C51 2.6(12) . . . . ?
C57' C49' C50' F18' 177.8(7) . . . . ?
C57' C49' C50' C51' -7.2(11) . . . . ?
C58 C53 C54 O3 169.0(6) . . . . ?
C58 C53 C54 C55 -18.6(10) . . . . ?
C58' C53' C54' O4' -172.3(6) . . . . ?
C58' C53' C54' C55' 11.6(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.797(16)
2 0.203(16)

