#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:01:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179713 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/15/7001564.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7001564
loop_
_publ_author_name
'Mendoza-Espinosa, Daniel'
'Hanna, Tracy A.'
_publ_section_title
;
 Synthesis, X-ray structures and reactivity of calix[5]arene
 bismuth(iii) and antimony(iii) complexes
;
_journal_issue                   26
_journal_name_full               'Dalton Transactions'
_journal_page_first              5211
_journal_page_last               5225
_journal_paper_doi               10.1039/b903943k
_journal_year                    2009
_chemical_formula_moiety         'C62 H72 O6 Sb2'
_chemical_formula_sum            'C62 H72 O6 Sb2'
_chemical_formula_weight         1156.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.706(5)
_cell_angle_beta                 109.515(5)
_cell_angle_gamma                105.495(5)
_cell_formula_units_Z            2
_cell_length_a                   14.411(4)
_cell_length_b                   16.183(4)
_cell_length_c                   16.211(4)
_cell_measurement_reflns_used    500
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     3372.3(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 'not recorded'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0772
_diffrn_reflns_av_sigmaI/netI    0.1008
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18324
_diffrn_reflns_theta_full        23.34
_diffrn_reflns_theta_max         23.34
_diffrn_reflns_theta_min         1.58
_diffrn_standards_interval_count 'not recorded'
_diffrn_standards_interval_time  'not recorded'
_diffrn_standards_number         'not recorded'
_exptl_absorpt_coefficient_mu    0.842
_exptl_absorpt_correction_T_max  0.9131
_exptl_absorpt_correction_T_min  0.8701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.139
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.950
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         9667
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1317P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1993
_refine_ls_wR_factor_ref         0.2224
_reflns_number_gt                6397
_reflns_number_total             9667
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b903943k.txt
_cod_data_source_block           tcu140m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3372.4(16)
_cod_database_code               7001564
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.45231(5) 0.37070(4) -0.00783(4) 0.0305(2) Uani 1 1 d . . .
O1 O 0.5586(4) 0.4017(4) 0.1142(4) 0.0294(14) Uani 1 1 d . . .
C1 C 0.6356(7) 0.3620(6) 0.1427(5) 0.026(2) Uani 1 1 d . . .
Sb2 Sb 0.50912(5) 0.22659(4) -0.14954(4) 0.0354(2) Uani 1 1 d . . .
O2 O 0.5418(5) 0.4630(4) -0.0503(4) 0.0315(15) Uani 1 1 d . . .
C2 C 0.6239(7) 0.2992(6) 0.1948(6) 0.033(2) Uani 1 1 d . . .
O3 O 0.4030(5) 0.2778(4) -0.2172(4) 0.0348(16) Uani 1 1 d . . .
C3 C 0.7042(8) 0.2667(7) 0.2298(6) 0.037(2) Uani 1 1 d . . .
H3A H 0.6960 0.2243 0.2654 0.044 Uiso 1 1 calc R . .
O4 O 0.4033(5) 0.1115(4) -0.1719(4) 0.0392(16) Uani 1 1 d . . .
C4 C 0.7969(8) 0.2922(7) 0.2160(6) 0.037(2) Uani 1 1 d . A .
O5 O 0.4803(5) 0.1223(4) 0.0884(4) 0.0384(16) Uani 1 1 d . . .
C5 C 0.8037(7) 0.3542(6) 0.1623(6) 0.033(2) Uani 1 1 d . . .
H5A H 0.8652 0.3733 0.1511 0.039 Uiso 1 1 calc R . .
O6 O 0.5006(5) 0.2766(4) -0.0412(4) 0.0379(16) Uani 1 1 d . . .
C6 C 0.7262(7) 0.3895(6) 0.1245(6) 0.029(2) Uani 1 1 d . . .
C7 C 0.8891(8) 0.2591(7) 0.2623(7) 0.049(3) Uani 1 1 d D . .
C8 C 0.857(2) 0.1618(11) 0.2343(17) 0.085(10) Uiso 0.478(11) 1 d PD A 1
H8A H 0.7915 0.1419 0.1845 0.127 Uiso 0.478(11) 1 calc PR A 1
H8B H 0.8509 0.1340 0.2837 0.127 Uiso 0.478(11) 1 calc PR A 1
H8C H 0.9097 0.1466 0.2165 0.127 Uiso 0.478(11) 1 calc PR A 1
C8A C 0.862(2) 0.1859(15) 0.3138(17) 0.097(10) Uiso 0.522(11) 1 d PD A 2
H8AA H 0.7963 0.1431 0.2773 0.145 Uiso 0.522(11) 1 calc PR A 2
H8AB H 0.8582 0.2107 0.3685 0.145 Uiso 0.522(11) 1 calc PR A 2
H8AC H 0.9160 0.1578 0.3280 0.145 Uiso 0.522(11) 1 calc PR A 2
C9 C 0.9224(19) 0.2837(15) 0.3641(11) 0.060(7) Uiso 0.478(11) 1 d PD A 1
H9A H 0.8736 0.2444 0.3835 0.090 Uiso 0.478(11) 1 calc PR A 1
H9B H 0.9234 0.3432 0.3798 0.090 Uiso 0.478(11) 1 calc PR A 1
H9C H 0.9911 0.2792 0.3931 0.090 Uiso 0.478(11) 1 calc PR A 1
C9A C 0.983(2) 0.3319(17) 0.3299(18) 0.137(15) Uiso 0.522(11) 1 d PD A 2
H9AA H 1.0232 0.3644 0.2988 0.205 Uiso 0.522(11) 1 calc PR A 2
H9AB H 1.0260 0.3063 0.3731 0.205 Uiso 0.522(11) 1 calc PR A 2
H9AC H 0.9591 0.3709 0.3603 0.205 Uiso 0.522(11) 1 calc PR A 2
C10 C 0.9828(17) 0.3025(15) 0.2387(16) 0.067(8) Uiso 0.478(11) 1 d PD A 1
H10A H 0.9714 0.2761 0.1788 0.101 Uiso 0.478(11) 1 calc PR A 1
H10B H 1.0445 0.2945 0.2805 0.101 Uiso 0.478(11) 1 calc PR A 1
H10C H 0.9917 0.3644 0.2418 0.101 Uiso 0.478(11) 1 calc PR A 1
C10A C 0.924(2) 0.2212(17) 0.1920(16) 0.099(10) Uiso 0.522(11) 1 d PD A 2
H10D H 0.8654 0.1777 0.1464 0.149 Uiso 0.522(11) 1 calc PR A 2
H10E H 0.9767 0.1945 0.2204 0.149 Uiso 0.522(11) 1 calc PR A 2
H10F H 0.9534 0.2678 0.1651 0.149 Uiso 0.522(11) 1 calc PR A 2
C11 C 0.7407(7) 0.4631(6) 0.0713(6) 0.032(2) Uani 1 1 d . . .
H11A H 0.7041 0.5025 0.0845 0.039 Uiso 1 1 calc R . .
H11B H 0.8147 0.4965 0.0946 0.039 Uiso 1 1 calc R . .
C12 C 0.7055(7) 0.4398(6) -0.0297(6) 0.030(2) Uani 1 1 d . . .
C13 C 0.7738(7) 0.4204(6) -0.0666(6) 0.037(2) Uani 1 1 d . . .
H13A H 0.8376 0.4169 -0.0286 0.044 Uiso 1 1 calc R . .
C14 C 0.7491(7) 0.4060(6) -0.1604(6) 0.035(2) Uani 1 1 d . A .
C15 C 0.6561(8) 0.4149(6) -0.2135(7) 0.037(2) Uani 1 1 d . . .
H15A H 0.6392 0.4076 -0.2755 0.044 Uiso 1 1 calc R . .
C16 C 0.5854(7) 0.4345(6) -0.1781(6) 0.031(2) Uani 1 1 d . . .
C17 C 0.6103(7) 0.4445(6) -0.0856(6) 0.028(2) Uani 1 1 d . . .
C18 C 0.8241(8) 0.3862(7) -0.2016(6) 0.051(3) Uani 1 1 d D . .
C19 C 0.9338(14) 0.4515(13) -0.1454(13) 0.055(7) Uiso 0.478(11) 1 d PD A 1
H19A H 0.9267 0.5036 -0.1175 0.083 Uiso 0.478(11) 1 calc PR A 1
H19B H 0.9721 0.4671 -0.1839 0.083 Uiso 0.478(11) 1 calc PR A 1
H19C H 0.9708 0.4243 -0.0997 0.083 Uiso 0.478(11) 1 calc PR A 1
C19A C 0.9211(15) 0.3783(15) -0.1410(14) 0.076(8) Uiso 0.522(11) 1 d PD A 2
H19D H 0.9124 0.3175 -0.1365 0.114 Uiso 0.522(11) 1 calc PR A 2
H19E H 0.9397 0.4125 -0.0826 0.114 Uiso 0.522(11) 1 calc PR A 2
H19F H 0.9756 0.3997 -0.1637 0.114 Uiso 0.522(11) 1 calc PR A 2
C20 C 0.798(2) 0.3948(17) -0.2954(11) 0.078(9) Uiso 0.478(11) 1 d PD A 1
H20A H 0.7269 0.3604 -0.3296 0.117 Uiso 0.478(11) 1 calc PR A 1
H20B H 0.8436 0.3740 -0.3187 0.117 Uiso 0.478(11) 1 calc PR A 1
H20C H 0.8077 0.4557 -0.3000 0.117 Uiso 0.478(11) 1 calc PR A 1
C20A C 0.8417(16) 0.4482(12) -0.2645(12) 0.048(6) Uiso 0.522(11) 1 d PD A 2
H20D H 0.7828 0.4295 -0.3206 0.072 Uiso 0.522(11) 1 calc PR A 2
H20E H 0.9040 0.4479 -0.2752 0.072 Uiso 0.522(11) 1 calc PR A 2
H20F H 0.8496 0.5068 -0.2379 0.072 Uiso 0.522(11) 1 calc PR A 2
C21 C 0.831(2) 0.2981(12) -0.1860(18) 0.091(10) Uiso 0.478(11) 1 d PD A 1
H21A H 0.7643 0.2543 -0.2199 0.137 Uiso 0.478(11) 1 calc PR A 1
H21B H 0.8484 0.2965 -0.1231 0.137 Uiso 0.478(11) 1 calc PR A 1
H21C H 0.8836 0.2860 -0.2050 0.137 Uiso 0.478(11) 1 calc PR A 1
C21A C 0.7588(17) 0.2969(11) -0.2645(14) 0.069(7) Uiso 0.522(11) 1 d PD A 2
H21D H 0.6858 0.2918 -0.2838 0.104 Uiso 0.522(11) 1 calc PR A 2
H21E H 0.7713 0.2502 -0.2331 0.104 Uiso 0.522(11) 1 calc PR A 2
H21F H 0.7783 0.2930 -0.3161 0.104 Uiso 0.522(11) 1 calc PR A 2
C22 C 0.4849(7) 0.4464(6) -0.2404(6) 0.034(2) Uani 1 1 d . . .
H22A H 0.4398 0.4501 -0.2073 0.040 Uiso 1 1 calc R . .
H22B H 0.5013 0.5010 -0.2624 0.040 Uiso 1 1 calc R . .
C23 C 0.4283(7) 0.3701(6) -0.3191(6) 0.033(2) Uani 1 1 d . . .
C24 C 0.4143(7) 0.3821(7) -0.4059(6) 0.036(2) Uani 1 1 d . . .
H24A H 0.4372 0.4389 -0.4162 0.043 Uiso 1 1 calc R . .
C25 C 0.3665(8) 0.3113(7) -0.4793(6) 0.042(3) Uani 1 1 d . . .
C26 C 0.3335(8) 0.2302(7) -0.4601(6) 0.045(3) Uani 1 1 d . . .
H26A H 0.3013 0.1818 -0.5073 0.054 Uiso 1 1 calc R . .
C27 C 0.3455(8) 0.2158(7) -0.3731(7) 0.043(3) Uani 1 1 d . . .
C28 C 0.3905(8) 0.2873(7) -0.3043(6) 0.037(2) Uani 1 1 d . . .
C29 C 0.3568(10) 0.3249(8) -0.5725(7) 0.057(3) Uani 1 1 d . . .
C30 C 0.4692(15) 0.3549(13) -0.5735(11) 0.130(8) Uani 1 1 d . . .
H30A H 0.4657 0.3644 -0.6326 0.195 Uiso 1 1 calc R . .
H30B H 0.5016 0.3101 -0.5578 0.195 Uiso 1 1 calc R . .
H30C H 0.5097 0.4088 -0.5307 0.195 Uiso 1 1 calc R . .
C31 C 0.3030(17) 0.2463(10) -0.6407(8) 0.131(9) Uani 1 1 d . . .
H31A H 0.2320 0.2235 -0.6442 0.197 Uiso 1 1 calc R . .
H31B H 0.3378 0.2028 -0.6256 0.197 Uiso 1 1 calc R . .
H31C H 0.3031 0.2600 -0.6978 0.197 Uiso 1 1 calc R . .
C32 C 0.3147(18) 0.3974(12) -0.5965(9) 0.131(8) Uani 1 1 d . . .
H32A H 0.2445 0.3827 -0.5973 0.196 Uiso 1 1 calc R . .
H32B H 0.3141 0.4066 -0.6550 0.196 Uiso 1 1 calc R . .
H32C H 0.3578 0.4503 -0.5529 0.196 Uiso 1 1 calc R . .
C33 C 0.3127(9) 0.1229(7) -0.3582(7) 0.051(3) Uani 1 1 d . . .
H33A H 0.3754 0.1059 -0.3331 0.062 Uiso 1 1 calc R . .
H33B H 0.2712 0.0847 -0.4165 0.062 Uiso 1 1 calc R . .
C34 C 0.2502(9) 0.1043(6) -0.2972(7) 0.043(3) Uani 1 1 d . . .
C35 C 0.1426(8) 0.0874(7) -0.3319(7) 0.048(3) Uani 1 1 d . . .
H35A H 0.1108 0.0949 -0.3905 0.057 Uiso 1 1 calc R . .
C36 C 0.0833(9) 0.0608(8) -0.2843(8) 0.055(3) Uani 1 1 d . A .
C37 C 0.1303(8) 0.0474(7) -0.1993(7) 0.046(3) Uani 1 1 d . . .
H37A H 0.0890 0.0261 -0.1667 0.056 Uiso 1 1 calc R . .
C38 C 0.2369(8) 0.0647(6) -0.1606(6) 0.039(2) Uani 1 1 d . . .
C39 C 0.2969(8) 0.0955(6) -0.2084(6) 0.038(2) Uani 1 1 d . . .
C40 C -0.0350(10) 0.0470(8) -0.3241(8) 0.072(4) Uani 1 1 d D . .
C41 C -0.081(6) 0.117(3) -0.365(3) 0.46(8) Uiso 0.478(11) 1 d PD A 1
H41A H -0.0451 0.1725 -0.3244 0.696 Uiso 0.478(11) 1 calc PR A 1
H41B H -0.1540 0.0999 -0.3744 0.696 Uiso 0.478(11) 1 calc PR A 1
H41C H -0.0722 0.1213 -0.4213 0.696 Uiso 0.478(11) 1 calc PR A 1
C42 C -0.083(3) -0.036(2) -0.399(2) 0.132(15) Uiso 0.478(11) 1 d PD A 1
H42A H -0.0864 -0.0874 -0.3723 0.198 Uiso 0.478(11) 1 calc PR A 1
H42B H -0.0406 -0.0332 -0.4346 0.198 Uiso 0.478(11) 1 calc PR A 1
H42C H -0.1526 -0.0381 -0.4365 0.198 Uiso 0.478(11) 1 calc PR A 1
C43 C -0.085(4) 0.020(3) -0.254(3) 0.21(3) Uiso 0.478(11) 1 d PD A 1
H43A H -0.0381 -0.0010 -0.2082 0.321 Uiso 0.478(11) 1 calc PR A 1
H43B H -0.1503 -0.0259 -0.2831 0.321 Uiso 0.478(11) 1 calc PR A 1
H43C H -0.0957 0.0703 -0.2266 0.321 Uiso 0.478(11) 1 calc PR A 1
C41A C -0.0707(19) 0.0701(13) -0.4197(12) 0.066(7) Uiso 0.522(11) 1 d PD A 2
H41D H -0.1061 0.0167 -0.4640 0.098 Uiso 0.522(11) 1 calc PR A 2
H41E H -0.0105 0.1036 -0.4305 0.098 Uiso 0.522(11) 1 calc PR A 2
H41F H -0.1174 0.1043 -0.4237 0.098 Uiso 0.522(11) 1 calc PR A 2
C42A C -0.0954(18) -0.0481(11) -0.3341(14) 0.065(7) Uiso 0.522(11) 1 d PD A 2
H42D H -0.0736 -0.0663 -0.2771 0.097 Uiso 0.522(11) 1 calc PR A 2
H42E H -0.0823 -0.0837 -0.3774 0.097 Uiso 0.522(11) 1 calc PR A 2
H42F H -0.1689 -0.0550 -0.3542 0.097 Uiso 0.522(11) 1 calc PR A 2
C43A C -0.0650(17) 0.1060(12) -0.2667(12) 0.052(6) Uiso 0.522(11) 1 d PD A 2
H43D H -0.0428 0.0955 -0.2062 0.079 Uiso 0.522(11) 1 calc PR A 2
H43E H -0.1396 0.0936 -0.2904 0.079 Uiso 0.522(11) 1 calc PR A 2
H43F H -0.0317 0.1665 -0.2669 0.079 Uiso 0.522(11) 1 calc PR A 2
C44 C 0.2882(8) 0.0512(6) -0.0656(6) 0.038(2) Uani 1 1 d . . .
H44A H 0.3535 0.0401 -0.0599 0.046 Uiso 1 1 calc R . .
H44B H 0.2428 -0.0007 -0.0555 0.046 Uiso 1 1 calc R . .
C45 C 0.3108(8) 0.1290(6) 0.0069(6) 0.033(2) Uani 1 1 d . . .
C46 C 0.2363(7) 0.1695(6) 0.0011(6) 0.034(2) Uani 1 1 d . . .
H46A H 0.1735 0.1484 -0.0484 0.041 Uiso 1 1 calc R . .
C47 C 0.2480(7) 0.2387(6) 0.0634(6) 0.032(2) Uani 1 1 d . . .
C48 C 0.3450(7) 0.2715(6) 0.1326(6) 0.033(2) Uani 1 1 d . . .
H48A H 0.3582 0.3210 0.1746 0.039 Uiso 1 1 calc R . .
C49 C 0.4229(7) 0.2334(6) 0.1415(6) 0.031(2) Uani 1 1 d . . .
C50 C 0.4042(7) 0.1611(6) 0.0803(6) 0.031(2) Uani 1 1 d . . .
C51 C 0.1609(8) 0.2775(7) 0.0540(7) 0.044(3) Uani 1 1 d . . .
C52 C 0.0656(9) 0.2066(9) 0.0492(11) 0.080(5) Uani 1 1 d . . .
H52A H 0.0808 0.1826 0.1032 0.120 Uiso 1 1 calc R . .
H52B H 0.0453 0.1608 -0.0018 0.120 Uiso 1 1 calc R . .
H52C H 0.0095 0.2310 0.0429 0.120 Uiso 1 1 calc R . .
C53 C 0.1384(11) 0.3168(10) -0.0310(9) 0.076(4) Uani 1 1 d . . .
H53A H 0.0826 0.3416 -0.0374 0.114 Uiso 1 1 calc R . .
H53B H 0.1183 0.2715 -0.0824 0.114 Uiso 1 1 calc R . .
H53C H 0.2002 0.3623 -0.0269 0.114 Uiso 1 1 calc R . .
C54 C 0.1852(9) 0.3525(8) 0.1281(8) 0.063(4) Uani 1 1 d . . .
H54A H 0.2000 0.3325 0.1845 0.095 Uiso 1 1 calc R . .
H54B H 0.1261 0.3738 0.1167 0.095 Uiso 1 1 calc R . .
H54C H 0.2451 0.3992 0.1307 0.095 Uiso 1 1 calc R . .
C55 C 0.5271(7) 0.2737(6) 0.2184(6) 0.032(2) Uani 1 1 d . . .
H55A H 0.5352 0.2322 0.2590 0.038 Uiso 1 1 calc R . .
H55B H 0.5245 0.3261 0.2513 0.038 Uiso 1 1 calc R . .
C56 C 0.4831(9) 0.0589(8) 0.1468(8) 0.053(3) Uani 1 1 d . . .
H56A H 0.5494 0.0468 0.1616 0.063 Uiso 1 1 calc R . .
H56B H 0.4798 0.0841 0.2024 0.063 Uiso 1 1 calc R . .
C57 C 0.3994(9) -0.0225(8) 0.1081(8) 0.054(3) Uani 1 1 d . . .
C58 C 0.3998(9) -0.0845(8) 0.0431(7) 0.054(3) Uani 1 1 d . . .
H58A H 0.4577 -0.0717 0.0261 0.065 Uiso 1 1 calc R . .
C59 C 0.3248(12) -0.1607(8) 0.0027(8) 0.069(4) Uani 1 1 d . . .
H59A H 0.3291 -0.1998 -0.0410 0.083 Uiso 1 1 calc R . .
C60 C 0.2369(11) -0.1792(9) 0.0303(9) 0.072(4) Uani 1 1 d . . .
H60A H 0.1810 -0.2307 0.0024 0.086 Uiso 1 1 calc R . .
C61 C 0.2341(11) -0.1227(10) 0.0964(11) 0.081(4) Uani 1 1 d . . .
H61A H 0.1782 -0.1380 0.1158 0.097 Uiso 1 1 calc R . .
C62 C 0.3108(11) -0.0443(9) 0.1350(9) 0.069(4) Uani 1 1 d . . .
H62A H 0.3060 -0.0051 0.1783 0.083 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O6 Sb1 O1 92.3(3) . . ?
O6 Sb1 O2 95.6(3) . . ?
O1 Sb1 O2 91.9(2) . . ?
C1 O1 Sb1 123.4(5) . . ?
C2 C1 O1 118.6(8) . . ?
C2 C1 C6 120.7(8) . . ?
O1 C1 C6 120.6(8) . . ?
O6 Sb2 O4 97.8(3) . . ?
O6 Sb2 O3 88.6(3) . . ?
O4 Sb2 O3 91.8(3) . . ?
C17 O2 Sb1 121.5(5) . . ?
C3 C2 C1 118.3(9) . . ?
C3 C2 C55 121.6(8) . . ?
C1 C2 C55 119.9(8) . . ?
C28 O3 Sb2 120.0(6) . . ?
C2 C3 C4 124.1(9) . . ?
C2 C3 H3A 117.9 . . ?
C4 C3 H3A 117.9 . . ?
C39 O4 Sb2 125.1(6) . . ?
C5 C4 C3 115.1(9) . . ?
C5 C4 C7 122.1(9) . . ?
C3 C4 C7 122.7(9) . . ?
C50 O5 C56 114.6(7) . . ?
C6 C5 C4 124.1(9) . . ?
C6 C5 H5A 117.9 . . ?
C4 C5 H5A 117.9 . . ?
Sb2 O6 Sb1 134.9(3) . . ?
C5 C6 C1 117.7(8) . . ?
C5 C6 C11 122.1(8) . . ?
C1 C6 C11 120.0(8) . . ?
C8 C7 C10 109.6(11) . . ?
C8 C7 C9A 137(2) . . ?
C10 C7 C9A 59.1(12) . . ?
C8 C7 C10A 60.9(12) . . ?
C10 C7 C10A 52.3(12) . . ?
C9A C7 C10A 107.8(12) . . ?
C8 C7 C9 110.1(11) . . ?
C10 C7 C9 107.4(10) . . ?
C9A C7 C9 50.3(12) . . ?
C10A C7 C9 140.7(17) . . ?
C8 C7 C8A 50.1(12) . . ?
C10 C7 C8A 135.4(17) . . ?
C9A C7 C8A 106.3(12) . . ?
C10A C7 C8A 106.7(11) . . ?
C9 C7 C8A 61.8(12) . . ?
C8 C7 C4 109.7(14) . . ?
C10 C7 C4 110.9(13) . . ?
C9A C7 C4 112.6(16) . . ?
C10A C7 C4 109.7(14) . . ?
C9 C7 C4 109.2(12) . . ?
C8A C7 C4 113.5(14) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C8A H8AA 109.5 . . ?
C7 C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C7 C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C9A H9AA 109.5 . . ?
C7 C9A H9AB 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
C7 C9A H9AC 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C10A H10D 109.5 . . ?
C7 C10A H10E 109.5 . . ?
H10D C10A H10E 109.5 . . ?
C7 C10A H10F 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C12 C11 C6 119.1(8) . . ?
C12 C11 H11A 107.5 . . ?
C6 C11 H11A 107.5 . . ?
C12 C11 H11B 107.5 . . ?
C6 C11 H11B 107.5 . . ?
H11A C11 H11B 107.0 . . ?
C17 C12 C13 119.6(8) . . ?
C17 C12 C11 121.2(8) . . ?
C13 C12 C11 119.0(8) . . ?
C12 C13 C14 121.6(9) . . ?
C12 C13 H13A 119.2 . . ?
C14 C13 H13A 119.2 . . ?
C15 C14 C13 117.3(9) . . ?
C15 C14 C18 120.6(8) . . ?
C13 C14 C18 122.1(9) . . ?
C14 C15 C16 122.4(9) . . ?
C14 C15 H15A 118.8 . . ?
C16 C15 H15A 118.8 . . ?
C17 C16 C15 118.7(9) . . ?
C17 C16 C22 121.4(8) . . ?
C15 C16 C22 119.9(8) . . ?
O2 C17 C12 120.3(7) . . ?
O2 C17 C16 119.4(8) . . ?
C12 C17 C16 120.3(8) . . ?
C19A C18 C20 127.0(17) . . ?
C19A C18 C21 60.7(12) . . ?
C20 C18 C21 113.3(12) . . ?
C19A C18 C20A 112.2(11) . . ?
C20 C18 C20A 35.2(10) . . ?
C21 C18 C20A 139.4(16) . . ?
C19A C18 C14 117.3(13) . . ?
C20 C18 C14 114.5(14) . . ?
C21 C18 C14 107.0(14) . . ?
C20A C18 C14 110.6(11) . . ?
C19A C18 C21A 109.0(11) . . ?
C20 C18 C21A 69.0(11) . . ?
C21 C18 C21A 52.3(11) . . ?
C20A C18 C21A 104.0(9) . . ?
C14 C18 C21A 102.5(12) . . ?
C19A C18 C19 45.0(10) . . ?
C20 C18 C19 108.9(11) . . ?
C21 C18 C19 105.7(11) . . ?
C20A C18 C19 77.6(10) . . ?
C14 C18 C19 107.0(11) . . ?
C21A C18 C19 147.8(14) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C19A H19D 109.5 . . ?
C18 C19A H19E 109.5 . . ?
H19D C19A H19E 109.5 . . ?
C18 C19A H19F 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C20A H20D 109.5 . . ?
C18 C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
C18 C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C21A H21D 109.5 . . ?
C18 C21A H21E 109.5 . . ?
H21D C21A H21E 109.5 . . ?
C18 C21A H21F 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C23 C22 C16 110.6(8) . . ?
C23 C22 H22A 109.5 . . ?
C16 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C16 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C28 C23 C24 119.0(9) . . ?
C28 C23 C22 119.6(8) . . ?
C24 C23 C22 121.4(9) . . ?
C23 C24 C25 122.1(9) . . ?
C23 C24 H24A 118.9 . . ?
C25 C24 H24A 118.9 . . ?
C26 C25 C24 116.1(9) . . ?
C26 C25 C29 122.4(9) . . ?
C24 C25 C29 121.4(9) . . ?
C25 C26 C27 123.2(9) . . ?
C25 C26 H26A 118.4 . . ?
C27 C26 H26A 118.4 . . ?
C28 C27 C26 118.2(9) . . ?
C28 C27 C33 122.8(9) . . ?
C26 C27 C33 119.0(9) . . ?
C23 C28 C27 121.2(9) . . ?
C23 C28 O3 117.7(8) . . ?
C27 C28 O3 121.1(9) . . ?
C31 C29 C32 112.2(14) . . ?
C31 C29 C25 114.6(10) . . ?
C32 C29 C25 112.0(11) . . ?
C31 C29 C30 104.5(13) . . ?
C32 C29 C30 105.3(14) . . ?
C25 C29 C30 107.3(11) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C27 C33 C34 117.3(9) . . ?
C27 C33 H33A 108.0 . . ?
C34 C33 H33A 108.0 . . ?
C27 C33 H33B 108.0 . . ?
C34 C33 H33B 108.0 . . ?
H33A C33 H33B 107.2 . . ?
C35 C34 C39 117.9(10) . . ?
C35 C34 C33 120.1(10) . . ?
C39 C34 C33 121.7(10) . . ?
C36 C35 C34 122.3(10) . . ?
C36 C35 H35A 118.9 . . ?
C34 C35 H35A 118.9 . . ?
C35 C36 C37 118.5(11) . . ?
C35 C36 C40 120.4(11) . . ?
C37 C36 C40 121.1(11) . . ?
C36 C37 C38 121.9(11) . . ?
C36 C37 H37A 119.1 . . ?
C38 C37 H37A 119.1 . . ?
C39 C38 C37 118.9(10) . . ?
C39 C38 C44 119.8(9) . . ?
C37 C38 C44 121.3(9) . . ?
C38 C39 O4 120.0(9) . . ?
C38 C39 C34 120.3(9) . . ?
O4 C39 C34 119.5(9) . . ?
C42A C40 C43A 110.9(11) . . ?
C42A C40 C41 126(3) . . ?
C43A C40 C41 61(2) . . ?
C42A C40 C36 110.2(13) . . ?
C43A C40 C36 110.8(12) . . ?
C41 C40 C36 123(3) . . ?
C42A C40 C42 43.8(15) . . ?
C43A C40 C42 141.4(19) . . ?
C41 C40 C42 106.0(16) . . ?
C36 C40 C42 106.4(18) . . ?
C42A C40 C43 61.2(17) . . ?
C43A C40 C43 53.6(19) . . ?
C41 C40 C43 106.1(16) . . ?
C36 C40 C43 110(2) . . ?
C42 C40 C43 103.8(14) . . ?
C42A C40 C41A 106.4(10) . . ?
C43A C40 C41A 106.1(11) . . ?
C41 C40 C41A 45(2) . . ?
C36 C40 C41A 112.4(13) . . ?
C42 C40 C41A 67.9(16) . . ?
C43 C40 C41A 137(3) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C41A H41D 109.5 . . ?
C40 C41A H41E 109.5 . . ?
H41D C41A H41E 109.5 . . ?
C40 C41A H41F 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
C40 C42A H42D 109.5 . . ?
C40 C42A H42E 109.5 . . ?
H42D C42A H42E 109.5 . . ?
C40 C42A H42F 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
C40 C43A H43D 109.5 . . ?
C40 C43A H43E 109.5 . . ?
H43D C43A H43E 109.5 . . ?
C40 C43A H43F 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C38 C44 C45 113.8(8) . . ?
C38 C44 H44A 108.8 . . ?
C45 C44 H44A 108.8 . . ?
C38 C44 H44B 108.8 . . ?
C45 C44 H44B 108.8 . . ?
H44A C44 H44B 107.7 . . ?
C46 C45 C50 117.6(8) . . ?
C46 C45 C44 119.6(9) . . ?
C50 C45 C44 122.7(8) . . ?
C47 C46 C45 124.2(9) . . ?
C47 C46 H46A 117.9 . . ?
C45 C46 H46A 117.9 . . ?
C46 C47 C48 115.8(9) . . ?
C46 C47 C51 121.0(8) . . ?
C48 C47 C51 123.2(8) . . ?
C49 C48 C47 122.3(9) . . ?
C49 C48 H48A 118.9 . . ?
C47 C48 H48A 118.9 . . ?
C50 C49 C48 119.2(9) . . ?
C50 C49 C55 121.8(8) . . ?
C48 C49 C55 119.0(8) . . ?
C49 C50 O5 119.9(8) . . ?
C49 C50 C45 120.7(9) . . ?
O5 C50 C45 119.3(8) . . ?
C52 C51 C54 108.8(10) . . ?
C52 C51 C47 109.1(9) . . ?
C54 C51 C47 114.8(9) . . ?
C52 C51 C53 110.4(11) . . ?
C54 C51 C53 104.6(10) . . ?
C47 C51 C53 109.2(9) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C49 C55 C2 117.3(7) . . ?
C49 C55 H55A 108.0 . . ?
C2 C55 H55A 108.0 . . ?
C49 C55 H55B 108.0 . . ?
C2 C55 H55B 108.0 . . ?
H55A C55 H55B 107.2 . . ?
C57 C56 O5 113.3(9) . . ?
C57 C56 H56A 108.9 . . ?
O5 C56 H56A 108.9 . . ?
C57 C56 H56B 108.9 . . ?
O5 C56 H56B 108.9 . . ?
H56A C56 H56B 107.7 . . ?
C58 C57 C56 121.8(11) . . ?
C58 C57 C62 116.4(12) . . ?
C56 C57 C62 121.8(11) . . ?
C59 C58 C57 125.6(13) . . ?
C59 C58 H58A 117.2 . . ?
C57 C58 H58A 117.2 . . ?
C58 C59 C60 116.2(13) . . ?
C58 C59 H59A 121.9 . . ?
C60 C59 H59A 121.9 . . ?
C61 C60 C59 120.8(13) . . ?
C61 C60 H60A 119.6 . . ?
C59 C60 H60A 119.6 . . ?
C60 C61 C62 121.6(13) . . ?
C60 C61 H61A 119.2 . . ?
C62 C61 H61A 119.2 . . ?
C61 C62 C57 119.2(13) . . ?
C61 C62 H62A 120.4 . . ?
C57 C62 H62A 120.4 . . ?
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 O6 1.944(7) . ?
Sb1 O1 1.979(6) . ?
Sb1 O2 2.025(6) . ?
O1 C1 1.394(10) . ?
C1 C2 1.385(13) . ?
C1 C6 1.400(12) . ?
Sb2 O6 1.928(6) . ?
Sb2 O4 1.982(6) . ?
Sb2 O3 1.983(6) . ?
O2 C17 1.379(10) . ?
C2 C3 1.369(13) . ?
C2 C55 1.529(13) . ?
O3 C28 1.389(11) . ?
C3 C4 1.388(13) . ?
C3 H3A 0.9400 . ?
O4 C39 1.388(12) . ?
C4 C5 1.387(13) . ?
C4 C7 1.548(14) . ?
O5 C50 1.377(11) . ?
O5 C56 1.452(13) . ?
C5 C6 1.375(12) . ?
C5 H5A 0.9400 . ?
C6 C11 1.536(12) . ?
C7 C8 1.501(16) . ?
C7 C10 1.531(16) . ?
C7 C9A 1.538(17) . ?
C7 C10A 1.539(16) . ?
C7 C9 1.540(15) . ?
C7 C8A 1.543(16) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C8A H8AA 0.9700 . ?
C8A H8AB 0.9700 . ?
C8A H8AC 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A H9AC 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C10A H10D 0.9700 . ?
C10A H10E 0.9700 . ?
C10A H10F 0.9700 . ?
C11 C12 1.524(12) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 C17 1.395(13) . ?
C12 C13 1.397(13) . ?
C13 C14 1.425(13) . ?
C13 H13A 0.9400 . ?
C14 C15 1.382(14) . ?
C14 C18 1.533(13) . ?
C15 C16 1.416(13) . ?
C15 H15A 0.9400 . ?
C16 C17 1.403(12) . ?
C16 C22 1.536(13) . ?
C18 C19A 1.461(15) . ?
C18 C20 1.468(15) . ?
C18 C21 1.491(15) . ?
C18 C20A 1.522(14) . ?
C18 C21A 1.550(15) . ?
C18 C19 1.559(15) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C19A H19D 0.9700 . ?
C19A H19E 0.9700 . ?
C19A H19F 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C20A H20D 0.9700 . ?
C20A H20E 0.9700 . ?
C20A H20F 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C21A H21D 0.9700 . ?
C21A H21E 0.9700 . ?
C21A H21F 0.9700 . ?
C22 C23 1.525(13) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C23 C28 1.378(14) . ?
C23 C24 1.390(13) . ?
C24 C25 1.418(13) . ?
C24 H24A 0.9400 . ?
C25 C26 1.370(14) . ?
C25 C29 1.510(14) . ?
C26 C27 1.410(14) . ?
C26 H26A 0.9400 . ?
C27 C28 1.380(13) . ?
C27 C33 1.517(14) . ?
C29 C31 1.453(17) . ?
C29 C32 1.48(2) . ?
C29 C30 1.57(2) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.541(14) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 C35 1.400(15) . ?
C34 C39 1.409(14) . ?
C35 C36 1.346(15) . ?
C35 H35A 0.9400 . ?
C36 C37 1.382(16) . ?
C36 C40 1.553(17) . ?
C37 C38 1.389(14) . ?
C37 H37A 0.9400 . ?
C38 C39 1.369(13) . ?
C38 C44 1.532(14) . ?
C40 C42A 1.517(16) . ?
C40 C43A 1.519(15) . ?
C40 C41 1.538(19) . ?
C40 C42 1.555(18) . ?
C40 C43 1.568(19) . ?
C40 C41A 1.572(16) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 H42C 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C41A H41D 0.9700 . ?
C41A H41E 0.9700 . ?
C41A H41F 0.9700 . ?
C42A H42D 0.9700 . ?
C42A H42E 0.9700 . ?
C42A H42F 0.9700 . ?
C43A H43D 0.9700 . ?
C43A H43E 0.9700 . ?
C43A H43F 0.9700 . ?
C44 C45 1.535(13) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C45 C46 1.382(13) . ?
C45 C50 1.398(13) . ?
C46 C47 1.380(13) . ?
C46 H46A 0.9400 . ?
C47 C48 1.398(13) . ?
C47 C51 1.517(14) . ?
C48 C49 1.392(13) . ?
C48 H48A 0.9400 . ?
C49 C50 1.374(13) . ?
C49 C55 1.525(13) . ?
C51 C52 1.509(16) . ?
C51 C54 1.514(15) . ?
C51 C53 1.539(16) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 H52C 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 H53C 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 H54C 0.9700 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C56 C57 1.447(16) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C57 C58 1.396(16) . ?
C57 C62 1.450(17) . ?
C58 C59 1.342(16) . ?
C58 H58A 0.9400 . ?
C59 C60 1.445(19) . ?
C59 H59A 0.9400 . ?
C60 C61 1.369(19) . ?
C60 H60A 0.9400 . ?
C61 C62 1.372(19) . ?
C61 H61A 0.9400 . ?
C62 H62A 0.9400 . ?
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
O6 Sb1 O1 C1 4.4(6) . . . . ?
O2 Sb1 O1 C1 -91.3(6) . . . . ?
Sb1 O1 C1 C2 -102.3(8) . . . . ?
Sb1 O1 C1 C6 82.3(9) . . . . ?
O6 Sb1 O2 C17 -2.0(6) . . . . ?
O1 Sb1 O2 C17 90.5(6) . . . . ?
O1 C1 C2 C3 -173.7(8) . . . . ?
C6 C1 C2 C3 1.6(13) . . . . ?
O1 C1 C2 C55 1.2(12) . . . . ?
C6 C1 C2 C55 176.5(8) . . . . ?
O6 Sb2 O3 C28 161.7(7) . . . . ?
O4 Sb2 O3 C28 -100.6(7) . . . . ?
C1 C2 C3 C4 -0.4(15) . . . . ?
C55 C2 C3 C4 -175.2(9) . . . . ?
O6 Sb2 O4 C39 78.7(7) . . . . ?
O3 Sb2 O4 C39 -10.1(7) . . . . ?
C2 C3 C4 C5 -0.5(14) . . . . ?
C2 C3 C4 C7 175.3(9) . . . . ?
C3 C4 C5 C6 0.1(14) . . . . ?
C7 C4 C5 C6 -175.7(9) . . . . ?
O4 Sb2 O6 Sb1 -111.9(5) . . . . ?
O3 Sb2 O6 Sb1 -20.3(5) . . . . ?
O1 Sb1 O6 Sb2 -146.4(5) . . . . ?
O2 Sb1 O6 Sb2 -54.2(5) . . . . ?
C4 C5 C6 C1 1.1(14) . . . . ?
C4 C5 C6 C11 175.2(8) . . . . ?
C2 C1 C6 C5 -2.0(13) . . . . ?
O1 C1 C6 C5 173.2(7) . . . . ?
C2 C1 C6 C11 -176.3(8) . . . . ?
O1 C1 C6 C11 -1.0(12) . . . . ?
C5 C4 C7 C8 -122.2(13) . . . . ?
C3 C4 C7 C8 62.3(14) . . . . ?
C5 C4 C7 C10 -1.1(14) . . . . ?
C3 C4 C7 C10 -176.6(12) . . . . ?
C5 C4 C7 C9A 63.0(15) . . . . ?
C3 C4 C7 C9A -112.5(15) . . . . ?
C5 C4 C7 C10A -57.1(15) . . . . ?
C3 C4 C7 C10A 127.4(14) . . . . ?
C5 C4 C7 C9 117.0(12) . . . . ?
C3 C4 C7 C9 -58.5(14) . . . . ?
C5 C4 C7 C8A -176.2(13) . . . . ?
C3 C4 C7 C8A 8.2(15) . . . . ?
C5 C6 C11 C12 94.5(10) . . . . ?
C1 C6 C11 C12 -91.5(11) . . . . ?
C6 C11 C12 C17 98.7(11) . . . . ?
C6 C11 C12 C13 -86.7(11) . . . . ?
C17 C12 C13 C14 0.5(14) . . . . ?
C11 C12 C13 C14 -174.2(9) . . . . ?
C12 C13 C14 C15 2.2(14) . . . . ?
C12 C13 C14 C18 178.9(9) . . . . ?
C13 C14 C15 C16 -2.1(14) . . . . ?
C18 C14 C15 C16 -178.9(9) . . . . ?
C14 C15 C16 C17 -0.6(14) . . . . ?
C14 C15 C16 C22 178.1(9) . . . . ?
Sb1 O2 C17 C12 -78.2(9) . . . . ?
Sb1 O2 C17 C16 104.7(8) . . . . ?
C13 C12 C17 O2 179.6(8) . . . . ?
C11 C12 C17 O2 -5.9(13) . . . . ?
C13 C12 C17 C16 -3.3(14) . . . . ?
C11 C12 C17 C16 171.2(8) . . . . ?
C15 C16 C17 O2 -179.5(8) . . . . ?
C22 C16 C17 O2 1.8(13) . . . . ?
C15 C16 C17 C12 3.4(13) . . . . ?
C22 C16 C17 C12 -175.3(8) . . . . ?
C15 C14 C18 C19A 179.6(12) . . . . ?
C13 C14 C18 C19A 3.0(16) . . . . ?
C15 C14 C18 C20 11.2(16) . . . . ?
C13 C14 C18 C20 -165.4(13) . . . . ?
C15 C14 C18 C21 -115.2(13) . . . . ?
C13 C14 C18 C21 68.2(14) . . . . ?
C15 C14 C18 C20A 49.2(13) . . . . ?
C13 C14 C18 C20A -127.4(11) . . . . ?
C15 C14 C18 C21A -61.2(13) . . . . ?
C13 C14 C18 C21A 122.2(11) . . . . ?
C15 C14 C18 C19 132.0(12) . . . . ?
C13 C14 C18 C19 -44.6(13) . . . . ?
C17 C16 C22 C23 -131.3(9) . . . . ?
C15 C16 C22 C23 50.0(11) . . . . ?
C16 C22 C23 C28 64.1(11) . . . . ?
C16 C22 C23 C24 -115.5(10) . . . . ?
C28 C23 C24 C25 -2.9(15) . . . . ?
C22 C23 C24 C25 176.7(9) . . . . ?
C23 C24 C25 C26 0.9(15) . . . . ?
C23 C24 C25 C29 -176.9(10) . . . . ?
C24 C25 C26 C27 -0.2(17) . . . . ?
C29 C25 C26 C27 177.5(11) . . . . ?
C25 C26 C27 C28 1.6(18) . . . . ?
C25 C26 C27 C33 -175.9(11) . . . . ?
C24 C23 C28 C27 4.3(15) . . . . ?
C22 C23 C28 C27 -175.3(9) . . . . ?
C24 C23 C28 O3 -178.2(8) . . . . ?
C22 C23 C28 O3 2.2(14) . . . . ?
C26 C27 C28 C23 -3.6(16) . . . . ?
C33 C27 C28 C23 173.8(10) . . . . ?
C26 C27 C28 O3 178.9(9) . . . . ?
C33 C27 C28 O3 -3.7(16) . . . . ?
Sb2 O3 C28 C23 -105.1(9) . . . . ?
Sb2 O3 C28 C27 72.4(11) . . . . ?
C26 C25 C29 C31 4(2) . . . . ?
C24 C25 C29 C31 -178.0(14) . . . . ?
C26 C25 C29 C32 133.7(14) . . . . ?
C24 C25 C29 C32 -48.7(17) . . . . ?
C26 C25 C29 C30 -111.2(14) . . . . ?
C24 C25 C29 C30 66.4(15) . . . . ?
C28 C27 C33 C34 47.1(16) . . . . ?
C26 C27 C33 C34 -135.5(11) . . . . ?
C27 C33 C34 C35 84.2(13) . . . . ?
C27 C33 C34 C39 -102.0(12) . . . . ?
C39 C34 C35 C36 -2.1(16) . . . . ?
C33 C34 C35 C36 172.0(10) . . . . ?
C34 C35 C36 C37 -1.9(17) . . . . ?
C34 C35 C36 C40 177.2(10) . . . . ?
C35 C36 C37 C38 3.2(17) . . . . ?
C40 C36 C37 C38 -175.9(10) . . . . ?
C36 C37 C38 C39 -0.2(16) . . . . ?
C36 C37 C38 C44 178.8(10) . . . . ?
C37 C38 C39 O4 -178.7(9) . . . . ?
C44 C38 C39 O4 2.3(14) . . . . ?
C37 C38 C39 C34 -3.9(15) . . . . ?
C44 C38 C39 C34 177.0(9) . . . . ?
Sb2 O4 C39 C38 -119.5(9) . . . . ?
Sb2 O4 C39 C34 65.8(11) . . . . ?
C35 C34 C39 C38 5.1(15) . . . . ?
C33 C34 C39 C38 -168.9(9) . . . . ?
C35 C34 C39 O4 179.8(9) . . . . ?
C33 C34 C39 O4 5.9(14) . . . . ?
C35 C36 C40 C42A 116.7(13) . . . . ?
C37 C36 C40 C42A -64.2(15) . . . . ?
C35 C36 C40 C43A -120.2(13) . . . . ?
C37 C36 C40 C43A 58.9(15) . . . . ?
C35 C36 C40 C41 -52(3) . . . . ?
C37 C36 C40 C41 127(3) . . . . ?
C35 C36 C40 C42 71(2) . . . . ?
C37 C36 C40 C42 -110.3(19) . . . . ?
C35 C36 C40 C43 -178(2) . . . . ?
C37 C36 C40 C43 1(2) . . . . ?
C35 C36 C40 C41A -1.7(16) . . . . ?
C37 C36 C40 C41A 177.3(12) . . . . ?
C39 C38 C44 C45 94.7(11) . . . . ?
C37 C38 C44 C45 -84.4(12) . . . . ?
C38 C44 C45 C46 44.4(12) . . . . ?
C38 C44 C45 C50 -136.4(9) . . . . ?
C50 C45 C46 C47 -0.5(14) . . . . ?
C44 C45 C46 C47 178.7(9) . . . . ?
C45 C46 C47 C48 4.2(14) . . . . ?
C45 C46 C47 C51 -177.8(9) . . . . ?
C46 C47 C48 C49 -3.9(13) . . . . ?
C51 C47 C48 C49 178.1(9) . . . . ?
C47 C48 C49 C50 0.1(14) . . . . ?
C47 C48 C49 C55 179.4(8) . . . . ?
C48 C49 C50 O5 -179.7(8) . . . . ?
C55 C49 C50 O5 1.0(13) . . . . ?
C48 C49 C50 C45 3.9(13) . . . . ?
C55 C49 C50 C45 -175.4(8) . . . . ?
C56 O5 C50 C49 85.7(10) . . . . ?
C56 O5 C50 C45 -97.8(10) . . . . ?
C46 C45 C50 C49 -3.7(13) . . . . ?
C44 C45 C50 C49 177.1(9) . . . . ?
C46 C45 C50 O5 179.9(8) . . . . ?
C44 C45 C50 O5 0.7(13) . . . . ?
C46 C47 C51 C52 57.1(13) . . . . ?
C48 C47 C51 C52 -125.0(11) . . . . ?
C46 C47 C51 C54 179.4(10) . . . . ?
C48 C47 C51 C54 -2.7(14) . . . . ?
C46 C47 C51 C53 -63.6(13) . . . . ?
C48 C47 C51 C53 114.3(11) . . . . ?
C50 C49 C55 C2 54.6(12) . . . . ?
C48 C49 C55 C2 -124.7(9) . . . . ?
C3 C2 C55 C49 -123.2(10) . . . . ?
C1 C2 C55 C49 62.1(12) . . . . ?
C50 O5 C56 C57 74.0(11) . . . . ?
O5 C56 C57 C58 76.2(13) . . . . ?
O5 C56 C57 C62 -104.0(13) . . . . ?
C56 C57 C58 C59 -178.8(12) . . . . ?
C62 C57 C58 C59 1.4(18) . . . . ?
C57 C58 C59 C60 -0.4(18) . . . . ?
C58 C59 C60 C61 -2(2) . . . . ?
C59 C60 C61 C62 4(2) . . . . ?
C60 C61 C62 C57 -3(2) . . . . ?
C58 C57 C62 C61 0.2(18) . . . . ?
C56 C57 C62 C61 -179.6(13) . . . . ?
