#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:36:58 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272664 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/91/7709132.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_7709132
loop_
_publ_author_name
'Nag, Ekta'
'Kulkarni, Aditya'
'Gorantla, Sai Manoj N. V. T.'
'Graw, Nico'
'Francis, Maria'
'Herbst-Irmer, Regine'
'Stalke, Dietmar'
'Roesky, Herbert W.'
'Mondal, Kartik Chandra'
'Roy, Sudipta'
_publ_section_title
;
 Fluorescent organo-antimony compounds as precursors for syntheses of
 redox-active trimeric and dimeric alkali metal antimonides: an insight
 into electron transfer reduction processes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1791
_journal_page_last               1805
_journal_paper_doi               10.1039/d1dt03398k
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C60 H92 Sb2, C6 H14'
_chemical_formula_sum            'C66 H106 Sb2'
_chemical_formula_weight         1143.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-16 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                108.36(3)
_cell_angle_beta                 92.72(2)
_cell_angle_gamma                90.10(2)
_cell_formula_units_Z            4
_cell_length_a                   13.255(2)
_cell_length_b                   19.142(3)
_cell_length_c                   25.810(4)
_cell_measurement_reflns_used    9828
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.302
_cell_measurement_theta_min      2.1715
_cell_volume                     6207(2)
_computing_cell_refinement       'SAINT V8.30C'
_computing_data_collection       'APEX2 v2012.2'
_computing_data_reduction        'SAINT V8.30C'
_computing_molecular_graphics    'XP Version 5.1'
_computing_publication_material  'XP Version 5.1'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            238565
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.357
_diffrn_reflns_theta_min         0.832
_diffrn_source                   'INCOATEC Microsource'
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.7001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_description       block
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.213
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.157
_refine_diff_density_max         0.966
_refine_diff_density_min         -0.997
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1334
_refine_ls_number_reflns         22677
_refine_ls_number_restraints     267
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0363
_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)+(0.0044P)²+22.3223P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0803
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20013
_reflns_number_total             22677
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03398k2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7709128--7709133.cif.'
_cod_database_code               7709132
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.830
_shelx_estimated_absorpt_t_max   0.871
loop_
_space_group_symop_operation_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_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 0.31121(2) -0.06449(2) 0.24911(2) 0.01326(5) Uani 1 1 d . . . . .
Sb2 Sb 0.30399(2) 0.08794(2) 0.25756(2) 0.01310(5) Uani 1 1 d . . . . .
Sb3 Sb 0.67481(2) 0.43401(2) 0.24650(2) 0.01305(5) Uani 1 1 d . . . . .
Sb4 Sb 0.68370(2) 0.58455(2) 0.24864(2) 0.01330(5) Uani 1 1 d . . . . .
C1 C 0.1764(3) -0.05454(18) 0.29818(14) 0.0146(7) Uani 1 1 d . . . . .
C2 C 0.1772(3) -0.01993(18) 0.35535(14) 0.0150(7) Uani 1 1 d . . . . .
C3 C 0.0928(3) -0.0265(2) 0.38364(15) 0.0192(8) Uani 1 1 d . . . . .
H3 H 0.094551 -0.003628 0.422123 0.023 Uiso 1 1 calc R U . . .
C4 C 0.0062(3) -0.0653(2) 0.35772(15) 0.0205(8) Uani 1 1 d . . . . .
C5 C 0.0049(3) -0.0971(2) 0.30142(15) 0.0208(8) Uani 1 1 d . . . . .
H5 H -0.053905 -0.123416 0.282898 0.025 Uiso 1 1 calc R U . . .
C6 C 0.0871(3) -0.09167(19) 0.27115(14) 0.0173(7) Uani 1 1 d . . . . .
C7 C 0.2652(3) 0.02649(19) 0.38911(14) 0.0169(7) Uani 1 1 d . . . . .
H7 H 0.319056 0.028122 0.363656 0.020 Uiso 1 1 calc R U . . .
C8 C 0.3104(3) -0.0068(2) 0.43161(15) 0.0221(8) Uani 1 1 d . . . . .
H8A H 0.329900 -0.057640 0.413337 0.033 Uiso 1 1 calc R U . . .
H8B H 0.260218 -0.006141 0.458413 0.033 Uiso 1 1 calc R U . . .
H8C H 0.370173 0.022214 0.450271 0.033 Uiso 1 1 calc R U . . .
C9 C 0.2329(3) 0.1060(2) 0.41765(15) 0.0224(8) Uani 1 1 d . . . . .
H9A H 0.204018 0.127081 0.390323 0.034 Uiso 1 1 calc R U . . .
H9B H 0.291913 0.135582 0.436703 0.034 Uiso 1 1 calc R U . . .
H9C H 0.182223 0.106064 0.444098 0.034 Uiso 1 1 calc R U . . .
C10 C -0.0854(3) -0.0690(2) 0.39011(15) 0.0278(9) Uani 1 1 d . . . . .
H10 H -0.137951 -0.101072 0.364429 0.033 Uiso 1 1 calc R U . . .
C11 C -0.0602(3) -0.1026(2) 0.43559(17) 0.0333(10) Uani 1 1 d . . . . .
H11A H -0.031647 -0.151488 0.419809 0.050 Uiso 1 1 calc R U . . .
H11B H -0.121937 -0.107055 0.453873 0.050 Uiso 1 1 calc R U . . .
H11C H -0.011009 -0.070847 0.462206 0.050 Uiso 1 1 calc R U . . .
C12 C -0.1301(3) 0.0077(3) 0.41456(19) 0.0391(11) Uani 1 1 d . . . . .
H12A H -0.146461 0.028847 0.385282 0.059 Uiso 1 1 calc R U . . .
H12B H -0.080730 0.039605 0.440965 0.059 Uiso 1 1 calc R U . . .
H12C H -0.191646 0.003447 0.433039 0.059 Uiso 1 1 calc R U . . .
C13 C 0.0761(3) -0.1271(2) 0.20916(15) 0.0238(8) Uani 1 1 d . . . . .
H13 H 0.136626 -0.111958 0.193349 0.029 Uiso 1 1 calc R U . . .
C14 C 0.0746(3) -0.2115(2) 0.19251(16) 0.0327(10) Uani 1 1 d . . . . .
H14A H 0.072056 -0.232122 0.152555 0.049 Uiso 1 1 calc R U . . .
H14B H 0.014958 -0.228280 0.206618 0.049 Uiso 1 1 calc R U . . .
H14C H 0.135777 -0.227999 0.207711 0.049 Uiso 1 1 calc R U . . .
C15 C -0.0171(3) -0.1005(2) 0.18427(16) 0.0285(9) Uani 1 1 d . . . . .
H15A H -0.017281 -0.120395 0.144325 0.043 Uiso 1 1 calc R U . . .
H15B H -0.015640 -0.046591 0.195467 0.043 Uiso 1 1 calc R U . . .
H15C H -0.078144 -0.117436 0.197041 0.043 Uiso 1 1 calc R U . . .
C16 C 0.4184(3) -0.08574(19) 0.31030(14) 0.0155(7) Uani 1 1 d . . . . .
C17 C 0.5004(3) -0.04085(19) 0.33946(15) 0.0175(7) Uani 1 1 d . . . . .
C18 C 0.5591(3) -0.06432(19) 0.37708(15) 0.0191(8) Uani 1 1 d . . . . .
H18 H 0.612288 -0.032984 0.397695 0.023 Uiso 1 1 calc R U . . .
C19 C 0.5430(3) -0.13124(19) 0.38561(14) 0.0180(7) Uani 1 1 d . . . . .
C20 C 0.4635(3) -0.17577(19) 0.35562(14) 0.0180(7) Uani 1 1 d . . . . .
H20 H 0.451378 -0.222049 0.360691 0.022 Uiso 1 1 calc R U . . .
C21 C 0.4011(3) -0.15446(19) 0.31829(14) 0.0156(7) Uani 1 1 d . . . . .
C22 C 0.5326(3) 0.03261(19) 0.33275(15) 0.0206(8) Uani 1 1 d . . . . .
H22 H 0.495431 0.037813 0.299556 0.025 Uiso 1 1 calc R U . . .
C23 C 0.5095(4) 0.0993(2) 0.38142(19) 0.0357(11) Uani 1 1 d . . . . .
H23A H 0.537647 0.143848 0.376228 0.054 Uiso 1 1 calc R U . . .
H23B H 0.539920 0.092969 0.414985 0.054 Uiso 1 1 calc R U . . .
H23C H 0.436223 0.103832 0.384302 0.054 Uiso 1 1 calc R U . . .
C24 C 0.6457(3) 0.0347(3) 0.3244(2) 0.0393(11) Uani 1 1 d . . . . .
H24A H 0.664196 -0.010340 0.295947 0.059 Uiso 1 1 calc R U . . .
H24B H 0.683568 0.038111 0.358675 0.059 Uiso 1 1 calc R U . . .
H24C H 0.662024 0.077581 0.313151 0.059 Uiso 1 1 calc R U . . .
C25 C 0.6139(3) -0.1566(2) 0.42406(16) 0.0246(8) Uani 1 1 d . . . . .
H25 H 0.652761 -0.112373 0.447807 0.030 Uiso 1 1 calc R U . . .
C26 C 0.6900(3) -0.2102(2) 0.39095(19) 0.0329(10) Uani 1 1 d . . . . .
H26A H 0.654412 -0.255063 0.368030 0.049 Uiso 1 1 calc R U . . .
H26B H 0.739424 -0.222841 0.415880 0.049 Uiso 1 1 calc R U . . .
H26C H 0.724824 -0.187226 0.367690 0.049 Uiso 1 1 calc R U . . .
C27 C 0.5593(4) -0.1897(3) 0.46135(18) 0.0375(11) Uani 1 1 d . . . . .
H27A H 0.519339 -0.232783 0.439224 0.056 Uiso 1 1 calc R U . . .
H27B H 0.514537 -0.153034 0.483861 0.056 Uiso 1 1 calc R U . . .
H27C H 0.608878 -0.204659 0.485056 0.056 Uiso 1 1 calc R U . . .
C28 C 0.3174(3) -0.20940(19) 0.28795(14) 0.0170(7) Uani 1 1 d . . . . .
H28 H 0.279505 -0.187129 0.262776 0.020 Uiso 1 1 calc R U . . .
C29 C 0.3606(3) -0.2819(2) 0.25261(16) 0.0250(9) Uani 1 1 d . . . . .
H29A H 0.305137 -0.315228 0.233142 0.037 Uiso 1 1 calc R U . . .
H29B H 0.399715 -0.304766 0.275957 0.037 Uiso 1 1 calc R U . . .
H29C H 0.404580 -0.272240 0.226088 0.037 Uiso 1 1 calc R U . . .
C30 C 0.2416(3) -0.2230(2) 0.32690(16) 0.0261(9) Uani 1 1 d . . . . .
H30A H 0.186511 -0.255181 0.305673 0.039 Uiso 1 1 calc R U . . .
H30B H 0.214008 -0.175923 0.348539 0.039 Uiso 1 1 calc R U . . .
H30C H 0.275703 -0.246519 0.351389 0.039 Uiso 1 1 calc R U . . .
C31 C 0.1609(3) 0.06920(18) 0.20730(14) 0.0145(7) Uani 1 1 d . . . . .
C32 C 0.1540(3) 0.03396(19) 0.14979(14) 0.0163(7) Uani 1 1 d . . . . .
C33 C 0.0639(3) 0.0367(2) 0.12049(14) 0.0190(8) Uani 1 1 d . . . . .
H33 H 0.060473 0.013415 0.082038 0.023 Uiso 1 1 calc R U . . .
C34 C -0.0211(3) 0.0721(2) 0.14510(15) 0.0196(8) Uani 1 1 d . . . . .
C35 C -0.0150(3) 0.1036(2) 0.20156(15) 0.0191(8) Uani 1 1 d . . . . .
H35 H -0.072726 0.126858 0.219477 0.023 Uiso 1 1 calc R U . . .
C36 C 0.0739(3) 0.10216(19) 0.23292(15) 0.0177(7) Uani 1 1 d . . . . .
C37 C 0.2391(3) -0.00833(19) 0.11673(14) 0.0177(7) Uani 1 1 d . . . . .
H37 H 0.298278 -0.006666 0.142637 0.021 Uiso 1 1 calc R U . . .
C38 C 0.2098(3) -0.08945(19) 0.08832(15) 0.0212(8) Uani 1 1 d . . . . .
H38A H 0.151818 -0.092670 0.062596 0.032 Uiso 1 1 calc R U . . .
H38B H 0.191779 -0.112276 0.115770 0.032 Uiso 1 1 calc R U . . .
H38C H 0.266988 -0.115220 0.068448 0.032 Uiso 1 1 calc R U . . .
C39 C 0.2725(3) 0.0267(2) 0.07429(15) 0.0221(8) Uani 1 1 d . . . . .
H39A H 0.331819 0.001205 0.056554 0.033 Uiso 1 1 calc R U . . .
H39B H 0.289652 0.078772 0.092460 0.033 Uiso 1 1 calc R U . . .
H39C H 0.217375 0.022431 0.046733 0.033 Uiso 1 1 calc R U . . .
C40 C -0.1175(3) 0.0729(2) 0.11116(16) 0.0265(9) Uani 1 1 d . . . . .
H40 H -0.167361 0.104081 0.135779 0.032 Uiso 1 1 calc R U . . .
C41 C -0.0991(3) 0.1063(3) 0.06570(17) 0.0355(10) Uani 1 1 d . . . . .
H41A H -0.054163 0.074566 0.039544 0.053 Uiso 1 1 calc R U . . .
H41B H -0.067649 0.155282 0.081625 0.053 Uiso 1 1 calc R U . . .
H41C H -0.163604 0.110510 0.046848 0.053 Uiso 1 1 calc R U . . .
C42 C -0.1629(3) -0.0046(3) 0.08681(19) 0.0390(11) Uani 1 1 d . . . . .
H42A H -0.228182 -0.002193 0.068033 0.059 Uiso 1 1 calc R U . . .
H42B H -0.172552 -0.025989 0.116106 0.059 Uiso 1 1 calc R U . . .
H42C H -0.117064 -0.035298 0.060650 0.059 Uiso 1 1 calc R U . . .
C43 C 0.0702(3) 0.1361(2) 0.29472(15) 0.0217(8) Uani 1 1 d . . . . .
H43 H 0.133206 0.121499 0.311234 0.026 Uiso 1 1 calc R U . . .
C44 C 0.0702(3) 0.2201(2) 0.31259(16) 0.0313(10) Uani 1 1 d . . . . .
H44A H 0.129713 0.238059 0.299126 0.047 Uiso 1 1 calc R U . . .
H44B H 0.072125 0.239661 0.352589 0.047 Uiso 1 1 calc R U . . .
H44C H 0.008868 0.236631 0.297524 0.047 Uiso 1 1 calc R U . . .
C45 C -0.0189(3) 0.1071(2) 0.31798(16) 0.0267(9) Uani 1 1 d . . . . .
H45A H -0.082339 0.122488 0.304125 0.040 Uiso 1 1 calc R U . . .
H45B H -0.014165 0.126954 0.357972 0.040 Uiso 1 1 calc R U . . .
H45C H -0.017342 0.053202 0.306757 0.040 Uiso 1 1 calc R U . . .
C46 C 0.3961(3) 0.11332(18) 0.19675(14) 0.0148(7) Uani 1 1 d . . . . .
C47 C 0.3701(3) 0.17968(19) 0.18679(14) 0.0157(7) Uani 1 1 d . . . . .
C48 C 0.4211(3) 0.2016(2) 0.14818(15) 0.0190(8) Uani 1 1 d . . . . .
H48 H 0.402613 0.246149 0.141748 0.023 Uiso 1 1 calc R U . . .
C49 C 0.4978(3) 0.1606(2) 0.11892(15) 0.0188(8) Uani 1 1 d . . . . .
C50 C 0.5242(3) 0.0962(2) 0.12996(14) 0.0193(8) Uani 1 1 d . . . . .
H50 H 0.576870 0.067548 0.110449 0.023 Uiso 1 1 calc R U . . .
C51 C 0.4768(3) 0.07174(19) 0.16839(14) 0.0169(7) Uani 1 1 d . . . . .
C52 C 0.2874(3) 0.23073(19) 0.21541(15) 0.0193(8) Uani 1 1 d . . . . .
H52 H 0.258728 0.208840 0.242096 0.023 Uiso 1 1 calc R U . . .
C53 C 0.2007(3) 0.2361(2) 0.17581(18) 0.0283(9) Uani 1 1 d . . . . .
H53A H 0.225276 0.259623 0.150027 0.042 Uiso 1 1 calc R U . . .
H53B H 0.146661 0.265570 0.196348 0.042 Uiso 1 1 calc R U . . .
H53C H 0.174433 0.186630 0.155645 0.042 Uiso 1 1 calc R U . . .
C54 C 0.3295(3) 0.3076(2) 0.24827(16) 0.0253(9) Uani 1 1 d . . . . .
H54A H 0.357537 0.331070 0.223303 0.038 Uiso 1 1 calc R U . . .
H54B H 0.382700 0.303005 0.274620 0.038 Uiso 1 1 calc R U . . .
H54C H 0.275024 0.337677 0.267829 0.038 Uiso 1 1 calc R U . . .
C55 C 0.5529(3) 0.1866(2) 0.07810(16) 0.0251(9) Uani 1 1 d . . . . .
H55 H 0.511044 0.225274 0.069451 0.030 Uiso 1 1 calc R U . . .
C56 C 0.5659(5) 0.1249(3) 0.02488(19) 0.0553(16) Uani 1 1 d . . . . .
H56A H 0.499638 0.103383 0.009565 0.083 Uiso 1 1 calc R U . . .
H56B H 0.608703 0.086863 0.031948 0.083 Uiso 1 1 calc R U . . .
H56C H 0.597741 0.144683 -0.001163 0.083 Uiso 1 1 calc R U . . .
C57 C 0.6551(3) 0.2218(3) 0.1027(2) 0.0376(11) Uani 1 1 d . . . . .
H57A H 0.690201 0.236894 0.075266 0.056 Uiso 1 1 calc R U . . .
H57B H 0.696010 0.185991 0.113994 0.056 Uiso 1 1 calc R U . . .
H57C H 0.644636 0.264930 0.134487 0.056 Uiso 1 1 calc R U . . .
C58 C 0.5176(3) 0.00213(19) 0.17760(15) 0.0197(8) Uani 1 1 d . . . . .
H58 H 0.485064 -0.004337 0.209994 0.024 Uiso 1 1 calc R U . . .
C59 C 0.4955(3) -0.0677(2) 0.12857(17) 0.0328(10) Uani 1 1 d . . . . .
H59A H 0.524957 -0.061898 0.096025 0.049 Uiso 1 1 calc R U . . .
H59B H 0.422293 -0.075382 0.121972 0.049 Uiso 1 1 calc R U . . .
H59C H 0.525199 -0.110291 0.136533 0.049 Uiso 1 1 calc R U . . .
C60 C 0.6320(3) 0.0080(2) 0.1898(2) 0.0373(11) Uani 1 1 d . . . . .
H60A H 0.654825 -0.034699 0.200097 0.056 Uiso 1 1 calc R U . . .
H60B H 0.648593 0.053188 0.219924 0.056 Uiso 1 1 calc R U . . .
H60C H 0.665923 0.009288 0.157167 0.056 Uiso 1 1 calc R U . . .
C61 C 0.5766(3) 0.41717(19) 0.30867(14) 0.0157(7) Uani 1 1 d . . . . .
C62 C 0.4982(3) 0.46267(19) 0.33481(14) 0.0168(7) Uani 1 1 d . . . . .
C63 C 0.4468(3) 0.44365(19) 0.37456(14) 0.0182(7) Uani 1 1 d . . . . .
H63 H 0.395927 0.475489 0.393041 0.022 Uiso 1 1 calc R U . . .
C64 C 0.4666(3) 0.3806(2) 0.38825(14) 0.0186(8) Uani 1 1 d . . . . .
C65 C 0.5413(3) 0.33442(19) 0.36033(14) 0.0169(7) Uani 1 1 d . . . . .
H65 H 0.554709 0.289952 0.368163 0.020 Uiso 1 1 calc R U . . .
C66 C 0.5970(3) 0.35166(18) 0.32125(14) 0.0139(7) Uani 1 1 d . . . . .
C67 C 0.4632(3) 0.5318(2) 0.32214(15) 0.0205(8) Uani 1 1 d . . . . .
H67 H 0.491128 0.531162 0.286669 0.025 Uiso 1 1 calc R U . . .
C68 C 0.3468(3) 0.5342(2) 0.31612(19) 0.0329(10) Uani 1 1 d . . . . .
H68A H 0.327336 0.574384 0.302010 0.049 Uiso 1 1 calc R U . . .
H68B H 0.318357 0.542274 0.351875 0.049 Uiso 1 1 calc R U . . .
H68C H 0.320828 0.487310 0.290677 0.049 Uiso 1 1 calc R U . . .
C69 C 0.4988(3) 0.6031(2) 0.36579(17) 0.0289(9) Uani 1 1 d . . . . .
H69A H 0.572700 0.606789 0.366946 0.043 Uiso 1 1 calc R U . . .
H69B H 0.476897 0.603010 0.401502 0.043 Uiso 1 1 calc R U . . .
H69C H 0.469732 0.645242 0.356940 0.043 Uiso 1 1 calc R U . . .
C70 C 0.4072(3) 0.3613(2) 0.43102(16) 0.0234(8) Uani 1 1 d . . . . .
H70 H 0.364914 0.404667 0.448880 0.028 Uiso 1 1 calc R U . . .
C71 C 0.4765(4) 0.3476(3) 0.47546(18) 0.0413(12) Uani 1 1 d . . . . .
H71A H 0.517208 0.304110 0.459447 0.062 Uiso 1 1 calc R U . . .
H71B H 0.435641 0.339191 0.503701 0.062 Uiso 1 1 calc R U . . .
H71C H 0.521102 0.390508 0.491820 0.062 Uiso 1 1 calc R U . . .
C72 C 0.3357(3) 0.2961(2) 0.40483(19) 0.0347(10) Uani 1 1 d . . . . .
H72A H 0.290232 0.307190 0.377532 0.052 Uiso 1 1 calc R U . . .
H72B H 0.295994 0.286499 0.433023 0.052 Uiso 1 1 calc R U . . .
H72C H 0.375002 0.252462 0.387076 0.052 Uiso 1 1 calc R U . . .
C73 C 0.6768(3) 0.29641(19) 0.29433(14) 0.0168(7) Uani 1 1 d . . . . .
H73 H 0.710945 0.316426 0.268137 0.020 Uiso 1 1 calc R U . . .
C74 C 0.7582(3) 0.2865(2) 0.33500(16) 0.0251(9) Uani 1 1 d . . . . .
H74A H 0.810606 0.254210 0.315225 0.038 Uiso 1 1 calc R U . . .
H74B H 0.728034 0.264288 0.360171 0.038 Uiso 1 1 calc R U . . .
H74C H 0.788385 0.334504 0.355747 0.038 Uiso 1 1 calc R U . . .
C75 C 0.6282(3) 0.2219(2) 0.26085(16) 0.0244(8) Uani 1 1 d . . . . .
H75A H 0.577915 0.229291 0.234075 0.037 Uiso 1 1 calc R U . . .
H75B H 0.595255 0.199993 0.285391 0.037 Uiso 1 1 calc R U . . .
H75C H 0.680480 0.188858 0.241742 0.037 Uiso 1 1 calc R U . . .
C76 C 0.8176(3) 0.44695(18) 0.29658(14) 0.0137(7) Uani 1 1 d . . . . .
C77 C 0.9020(3) 0.40908(19) 0.27093(14) 0.0162(7) Uani 1 1 d . . . . .
C78 C 0.9886(3) 0.4036(2) 0.30176(14) 0.0188(8) Uani 1 1 d . . . . .
H78 H 1.043710 0.376370 0.283733 0.023 Uiso 1 1 calc R U . . .
C79 C 0.9974(3) 0.4365(2) 0.35791(15) 0.0186(8) Uani 1 1 d . . . . .
C80 C 0.9163(3) 0.4769(2) 0.38277(14) 0.0181(7) Uani 1 1 d . . . . .
H80 H 0.921694 0.501174 0.421086 0.022 Uiso 1 1 calc R U . . .
C81 C 0.8269(3) 0.48338(18) 0.35380(14) 0.0149(7) Uani 1 1 d . . . . .
C82 C 0.9018(3) 0.3718(2) 0.20877(14) 0.0217(8) Uani 1 1 d . . . . .
H82 H 0.839403 0.387531 0.192489 0.026 Uiso 1 1 calc R U . . .
C83 C 0.9923(3) 0.3967(2) 0.18370(15) 0.0264(9) Uani 1 1 d . . . . .
H83A H 0.986518 0.374857 0.143844 0.040 Uiso 1 1 calc R U . . .
H83B H 1.054977 0.380680 0.197858 0.040 Uiso 1 1 calc R U . . .
H83C H 0.993233 0.450489 0.193377 0.040 Uiso 1 1 calc R U . . .
C84 C 0.8964(3) 0.2879(2) 0.19335(17) 0.0323(10) Uani 1 1 d . . . . .
H84A H 0.896713 0.266202 0.153522 0.049 Uiso 1 1 calc R U . . .
H84B H 0.834191 0.273016 0.206387 0.049 Uiso 1 1 calc R U . . .
H84C H 0.954923 0.270590 0.210249 0.049 Uiso 1 1 calc R U . . .
C85 C 1.0931(3) 0.4316(2) 0.39109(15) 0.0256(9) Uani 1 1 d . . . . .
H85 H 1.140322 0.398029 0.366073 0.031 Uiso 1 1 calc R U . . .
C86 C 1.1455(3) 0.5074(3) 0.4152(2) 0.0383(11) Uani 1 1 d . . . . .
H86A H 1.155472 0.528875 0.385997 0.057 Uiso 1 1 calc R U . . .
H86B H 1.211144 0.501837 0.432492 0.057 Uiso 1 1 calc R U . . .
H86C H 1.103284 0.539852 0.442614 0.057 Uiso 1 1 calc R U . . .
C87 C 1.0726(3) 0.4001(2) 0.43705(16) 0.0311(10) Uani 1 1 d . . . . .
H87A H 1.035050 0.353362 0.422043 0.047 Uiso 1 1 calc R U . . .
H87B H 1.032745 0.434974 0.464304 0.047 Uiso 1 1 calc R U . . .
H87C H 1.136903 0.391727 0.454346 0.047 Uiso 1 1 calc R U . . .
C88 C 0.7451(3) 0.53045(19) 0.38705(14) 0.0166(7) Uani 1 1 d . . . . .
H88 H 0.686438 0.530811 0.361280 0.020 Uiso 1 1 calc R U . . .
C89 C 0.7817(3) 0.61049(19) 0.41402(14) 0.0197(8) Uani 1 1 d . . . . .
H89A H 0.803020 0.630938 0.385838 0.030 Uiso 1 1 calc R U . . .
H89B H 0.838930 0.611832 0.439831 0.030 Uiso 1 1 calc R U . . .
H89C H 0.726637 0.639746 0.433598 0.030 Uiso 1 1 calc R U . . .
C90 C 0.7073(3) 0.4993(2) 0.43059(14) 0.0214(8) Uani 1 1 d . . . . .
H90A H 0.683940 0.448314 0.413236 0.032 Uiso 1 1 calc R U . . .
H90B H 0.651389 0.528983 0.448840 0.032 Uiso 1 1 calc R U . . .
H90C H 0.762527 0.500740 0.457564 0.032 Uiso 1 1 calc R U . . .
C91 C 0.5811(3) 0.60555(19) 0.18534(14) 0.0152(7) Uani 1 1 d . . . . .
C92 C 0.6015(3) 0.67325(19) 0.17601(14) 0.0159(7) Uani 1 1 d . . . . .
C93 C 0.5408(3) 0.69397(19) 0.13769(14) 0.0174(7) Uani 1 1 d . . . . .
H93 H 0.555075 0.739420 0.131738 0.021 Uiso 1 1 calc R U . . .
C94 C 0.4604(3) 0.65061(19) 0.10799(14) 0.0186(8) Uani 1 1 d . . . . .
C95 C 0.4411(3) 0.5846(2) 0.11797(14) 0.0185(8) Uani 1 1 d . . . . .
H95 H 0.386563 0.554084 0.098047 0.022 Uiso 1 1 calc R U . . .
C96 C 0.4986(3) 0.56166(19) 0.15609(15) 0.0171(7) Uani 1 1 d . . . . .
C97 C 0.6874(3) 0.72658(19) 0.20518(15) 0.0196(8) Uani 1 1 d . . . . .
H97 H 0.721609 0.705562 0.232176 0.024 Uiso 1 1 calc R U . . .
C98 C 0.6484(3) 0.8024(2) 0.23764(16) 0.0264(9) Uani 1 1 d . . . . .
H98A H 0.618444 0.826312 0.212286 0.040 Uiso 1 1 calc R U . . .
H98B H 0.704688 0.832845 0.259195 0.040 Uiso 1 1 calc R U . . .
H98C H 0.597214 0.796462 0.262176 0.040 Uiso 1 1 calc R U . . .
C99 C 0.7667(3) 0.7334(2) 0.16613(18) 0.0297(9) Uani 1 1 d . . . . .
H99A H 0.792704 0.684507 0.147240 0.045 Uiso 1 1 calc R U . . .
H99B H 0.822359 0.765449 0.186810 0.045 Uiso 1 1 calc R U . . .
H99C H 0.736169 0.754467 0.139226 0.045 Uiso 1 1 calc R U . . .
C100 C 0.3908(3) 0.6748(2) 0.06866(16) 0.0244(9) Uani 1 1 d . . . . .
H100 H 0.353999 0.630069 0.044111 0.029 Uiso 1 1 calc R U . . .
C101 C 0.4474(4) 0.7099(3) 0.03266(18) 0.0407(12) Uani 1 1 d . . . . .
H10A H 0.499052 0.676137 0.013669 0.061 Uiso 1 1 calc R U . . .
H10B H 0.479675 0.756114 0.055477 0.061 Uiso 1 1 calc R U . . .
H10C H 0.399693 0.719804 0.005740 0.061 Uiso 1 1 calc R U . . .
C102 C 0.3122(3) 0.7273(3) 0.10067(19) 0.0388(11) Uani 1 1 d . . . . .
H10D H 0.264589 0.740280 0.075096 0.058 Uiso 1 1 calc R U . . .
H10E H 0.346164 0.771977 0.124843 0.058 Uiso 1 1 calc R U . . .
H10F H 0.275427 0.703136 0.122584 0.058 Uiso 1 1 calc R U . . .
C103 C 0.4644(3) 0.4894(2) 0.16394(16) 0.0222(8) Uani 1 1 d . . . . .
H103 H 0.507008 0.481740 0.194654 0.027 Uiso 1 1 calc R U . . .
C104 C 0.4750(3) 0.4222(2) 0.11337(19) 0.0355(10) Uani 1 1 d . . . . .
H10G H 0.435500 0.429225 0.082383 0.053 Uiso 1 1 calc R U . . .
H10H H 0.450069 0.378145 0.120670 0.053 Uiso 1 1 calc R U . . .
H10I H 0.546269 0.416099 0.104642 0.053 Uiso 1 1 calc R U . . .
C105 C 0.3547(3) 0.4934(2) 0.1794(2) 0.0365(11) Uani 1 1 d . . . . .
H10J H 0.310816 0.494809 0.148165 0.055 Uiso 1 1 calc R U . . .
H10K H 0.345402 0.537986 0.210330 0.055 Uiso 1 1 calc R U . . .
H10L H 0.337373 0.449991 0.189806 0.055 Uiso 1 1 calc R U . . .
C106 C 0.8206(3) 0.56573(18) 0.20064(14) 0.0143(7) Uani 1 1 d . . . . .
C107 C 0.8203(3) 0.53007(19) 0.14331(14) 0.0161(7) Uani 1 1 d . . . . .
C108 C 0.9078(3) 0.53262(19) 0.11614(14) 0.0191(8) Uani 1 1 d . . . . .
H108 H 0.906648 0.509530 0.077697 0.023 Uiso 1 1 calc R U . . .
C109 C 0.9963(3) 0.5671(2) 0.14239(15) 0.0205(8) Uani 1 1 d . . . . .
C110 C 0.9965(3) 0.59942(19) 0.19872(15) 0.0194(8) Uani 1 1 d . . . . .
H110 H 1.056773 0.622979 0.217655 0.023 Uiso 1 1 calc R U . . .
C111 C 0.9116(3) 0.59861(19) 0.22864(14) 0.0172(7) Uani 1 1 d . . . . .
C112 C 0.7312(3) 0.48634(19) 0.10910(14) 0.0182(7) Uani 1 1 d . . . . .
H112 H 0.675341 0.487577 0.134102 0.022 Uiso 1 1 calc R U . . .
C113 C 0.7582(3) 0.4055(2) 0.08207(15) 0.0216(8) Uani 1 1 d . . . . .
H11D H 0.698410 0.378147 0.061941 0.032 Uiso 1 1 calc R U . . .
H11E H 0.781499 0.384078 0.110259 0.032 Uiso 1 1 calc R U . . .
H11F H 0.811969 0.402698 0.056737 0.032 Uiso 1 1 calc R U . . .
C114 C 0.6914(3) 0.5195(2) 0.06516(15) 0.0227(8) Uani 1 1 d . . . . .
H11G H 0.744261 0.517761 0.039488 0.034 Uiso 1 1 calc R U . . .
H11H H 0.672675 0.570770 0.082616 0.034 Uiso 1 1 calc R U . . .
H11I H 0.632072 0.491163 0.045368 0.034 Uiso 1 1 calc R U . . .
C115 C 1.0905(3) 0.5653(2) 0.11069(16) 0.0315(10) Uani 1 1 d . . . . .
H115 H 1.145460 0.593226 0.136969 0.038 Uiso 1 1 calc R U . . .
C116 C 1.1256(3) 0.4859(3) 0.08545(19) 0.0411(12) Uani 1 1 d . . . . .
H11J H 1.073165 0.457492 0.059175 0.062 Uiso 1 1 calc R U . . .
H11K H 1.137932 0.463448 0.114376 0.062 Uiso 1 1 calc R U . . .
H11L H 1.188077 0.486174 0.066672 0.062 Uiso 1 1 calc R U . . .
C117 C 1.0745(4) 0.6016(3) 0.06624(17) 0.0412(12) Uani 1 1 d . . . . .
H11M H 1.138195 0.602375 0.048620 0.062 Uiso 1 1 calc R U . . .
H11N H 1.051774 0.652132 0.082589 0.062 Uiso 1 1 calc R U . . .
H11O H 1.023239 0.573644 0.038931 0.062 Uiso 1 1 calc R U . . .
C118 C 0.9221(3) 0.6338(2) 0.29018(14) 0.0203(8) Uani 1 1 d . . . . .
H118 H 0.861181 0.618264 0.305493 0.024 Uiso 1 1 calc R U . . .
C119 C 0.9224(3) 0.7177(2) 0.30748(17) 0.0300(9) Uani 1 1 d . . . . .
H11P H 0.981033 0.735227 0.293090 0.045 Uiso 1 1 calc R U . . .
H11Q H 0.925973 0.737666 0.347473 0.045 Uiso 1 1 calc R U . . .
H11R H 0.860300 0.734055 0.293008 0.045 Uiso 1 1 calc R U . . .
C120 C 1.0143(3) 0.6072(2) 0.31609(16) 0.0264(9) Uani 1 1 d . . . . .
H12D H 1.014009 0.553270 0.303973 0.040 Uiso 1 1 calc R U . . .
H12E H 1.011868 0.625817 0.355992 0.040 Uiso 1 1 calc R U . . .
H12F H 1.075999 0.625520 0.304931 0.040 Uiso 1 1 calc R U . . .
C1A C 0.2785(5) 0.8189(3) 0.4806(3) 0.0694(17) Uani 1 1 d D . . . .
H1AA H 0.314991 0.830785 0.452243 0.104 Uiso 1 1 calc R U . . .
H1AB H 0.314735 0.840443 0.516123 0.104 Uiso 1 1 calc R U . . .
H1AC H 0.210369 0.838932 0.481935 0.104 Uiso 1 1 calc R U . . .
C2A C 0.2713(4) 0.7343(3) 0.4672(2) 0.0557(14) Uani 1 1 d D . . . .
H2AA H 0.225513 0.713742 0.434431 0.067 Uiso 1 1 calc R U . . .
H2AB H 0.338976 0.713383 0.458341 0.067 Uiso 1 1 calc R U . . .
C3A C 0.2337(4) 0.7109(4) 0.5128(2) 0.0619(16) Uani 1 1 d D . . . .
H3AA H 0.284986 0.724740 0.543575 0.074 Uiso 1 1 calc R U . . .
H3AB H 0.225973 0.656649 0.500301 0.074 Uiso 1 1 calc R U . . .
C4A C 0.1317(4) 0.7452(3) 0.5336(2) 0.0522(14) Uani 1 1 d D . . . .
H4AA H 0.112541 0.727415 0.564004 0.063 Uiso 1 1 calc R U . . .
H4AB H 0.140492 0.799317 0.548378 0.063 Uiso 1 1 calc R U . . .
C5A C 0.0469(4) 0.7269(3) 0.4901(2) 0.0453(12) Uani 1 1 d D . . . .
H5AA H 0.067155 0.742187 0.458802 0.054 Uiso 1 1 calc R U . . .
H5AB H 0.034912 0.672982 0.476899 0.054 Uiso 1 1 calc R U . . .
C6A C -0.0496(4) 0.7646(3) 0.5110(2) 0.0433(12) Uani 1 1 d D . . . .
H6AA H -0.038078 0.818001 0.524157 0.065 Uiso 1 1 calc R U . . .
H6AB H -0.071374 0.748112 0.541111 0.065 Uiso 1 1 calc R U . . .
H6AC H -0.102153 0.752086 0.481407 0.065 Uiso 1 1 calc R U . . .
C1B C -0.0590(13) 0.2627(18) 0.0118(12) 0.060(6) Uani 0.475(7) 1 d D U P A 1
H1BA H -0.110000 0.254021 -0.018438 0.091 Uiso 0.475(7) 1 calc R U P A 1
H1BB H -0.043250 0.315515 0.026720 0.091 Uiso 0.475(7) 1 calc R U P A 1
H1BC H -0.085122 0.245210 0.040446 0.091 Uiso 0.475(7) 1 calc R U P A 1
C2B C 0.0371(9) 0.2210(7) -0.0093(5) 0.058(3) Uani 0.475(7) 1 d D U P A 1
H2BA H 0.022631 0.167359 -0.022237 0.069 Uiso 0.475(7) 1 calc R U P A 1
H2BB H 0.060592 0.235404 -0.040389 0.069 Uiso 0.475(7) 1 calc R U P A 1
C3B C 0.1179(8) 0.2389(8) 0.0360(5) 0.065(3) Uani 0.475(7) 1 d D U P A 1
H3BA H 0.093594 0.223264 0.066425 0.078 Uiso 0.475(7) 1 calc R U P A 1
H3BB H 0.128568 0.292913 0.049847 0.078 Uiso 0.475(7) 1 calc R U P A 1
C4B C 0.2200(8) 0.2026(7) 0.0197(5) 0.058(3) Uani 0.475(7) 1 d D U P A 1
H4BA H 0.267211 0.215972 0.052303 0.069 Uiso 0.475(7) 1 calc R U P A 1
H4BB H 0.210182 0.148442 0.007409 0.069 Uiso 0.475(7) 1 calc R U P A 1
C5B C 0.2664(10) 0.2239(7) -0.0240(5) 0.070(3) Uani 0.475(7) 1 d D U P A 1
H5BA H 0.224964 0.202603 -0.058409 0.084 Uiso 0.475(7) 1 calc R U P A 1
H5BB H 0.334112 0.201733 -0.029656 0.084 Uiso 0.475(7) 1 calc R U P A 1
C6B C 0.2779(12) 0.3067(8) -0.0133(6) 0.067(4) Uani 0.475(7) 1 d D U P A 1
H6BA H 0.319757 0.315770 -0.040926 0.101 Uiso 0.475(7) 1 calc R U P A 1
H6BB H 0.310066 0.329651 0.023094 0.101 Uiso 0.475(7) 1 calc R U P A 1
H6BC H 0.211071 0.327884 -0.015317 0.101 Uiso 0.475(7) 1 calc R U P A 1
C1C C 0.3061(11) 0.1736(7) -0.0222(7) 0.104(5) Uani 0.525(7) 1 d D U P A 2
H1CA H 0.241437 0.155555 -0.042007 0.156 Uiso 0.525(7) 1 calc R U P A 2
H1CB H 0.331980 0.137774 -0.005094 0.156 Uiso 0.525(7) 1 calc R U P A 2
H1CC H 0.354665 0.180195 -0.047826 0.156 Uiso 0.525(7) 1 calc R U P A 2
C2C C 0.2908(9) 0.2469(7) 0.0216(5) 0.073(3) Uani 0.525(7) 1 d D U P A 2
H2CA H 0.251949 0.237541 0.050703 0.088 Uiso 0.525(7) 1 calc R U P A 2
H2CB H 0.357851 0.266946 0.038209 0.088 Uiso 0.525(7) 1 calc R U P A 2
C3C C 0.2389(9) 0.3030(8) 0.0036(7) 0.082(4) Uani 0.525(7) 1 d D U P A 2
H3CA H 0.278444 0.313679 -0.024692 0.098 Uiso 0.525(7) 1 calc R U P A 2
H3CB H 0.237059 0.348800 0.034982 0.098 Uiso 0.525(7) 1 calc R U P A 2
C4C C 0.1312(7) 0.2813(7) -0.0196(5) 0.067(3) Uani 0.525(7) 1 d D U P A 2
H4CA H 0.103763 0.320354 -0.033627 0.080 Uiso 0.525(7) 1 calc R U P A 2
H4CB H 0.132940 0.235380 -0.050851 0.080 Uiso 0.525(7) 1 calc R U P A 2
C5C C 0.0613(8) 0.2698(8) 0.0214(5) 0.066(3) Uani 0.525(7) 1 d D U P A 2
H5CA H 0.063681 0.314428 0.053905 0.080 Uiso 0.525(7) 1 calc R U P A 2
H5CB H 0.086020 0.228269 0.033338 0.080 Uiso 0.525(7) 1 calc R U P A 2
C6C C -0.0487(10) 0.2537(15) -0.0003(12) 0.064(6) Uani 0.525(7) 1 d D U P A 2
H6CA H -0.075721 0.296120 -0.009568 0.096 Uiso 0.525(7) 1 calc R U P A 2
H6CB H -0.088968 0.244241 0.027725 0.096 Uiso 0.525(7) 1 calc R U P A 2
H6CC H -0.051830 0.210269 -0.033099 0.096 Uiso 0.525(7) 1 calc R U P A 2
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'
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
C16 Sb1 C1 95.89(13) . . ?
C16 Sb1 Sb2 112.52(9) . . ?
C1 Sb1 Sb2 91.27(9) . . ?
C46 Sb2 C31 95.87(13) . . ?
C46 Sb2 Sb1 111.83(9) . . ?
C31 Sb2 Sb1 90.84(9) . . ?
C76 Sb3 C61 96.18(12) . . ?
C76 Sb3 Sb4 91.72(9) . . ?
C61 Sb3 Sb4 112.66(9) . . ?
C91 Sb4 C106 96.57(12) . . ?
C91 Sb4 Sb3 112.29(9) . . ?
C106 Sb4 Sb3 92.09(9) . . ?
C2 C1 C6 118.4(3) . . ?
C2 C1 Sb1 124.1(2) . . ?
C6 C1 Sb1 117.2(2) . . ?
C3 C2 C1 119.5(3) . . ?
C3 C2 C7 116.4(3) . . ?
C1 C2 C7 124.1(3) . . ?
C4 C3 C2 122.4(3) . . ?
C5 C4 C3 117.7(3) . . ?
C5 C4 C10 121.7(3) . . ?
C3 C4 C10 120.6(3) . . ?
C4 C5 C6 122.2(3) . . ?
C5 C6 C1 119.7(3) . . ?
C5 C6 C13 117.6(3) . . ?
C1 C6 C13 122.7(3) . . ?
C2 C7 C8 112.0(3) . . ?
C2 C7 C9 111.1(3) . . ?
C8 C7 C9 109.7(3) . . ?
C4 C10 C11 112.0(3) . . ?
C4 C10 C12 110.9(3) . . ?
C11 C10 C12 109.8(3) . . ?
C15 C13 C6 112.2(3) . . ?
C15 C13 C14 110.2(3) . . ?
C6 C13 C14 111.9(3) . . ?
C17 C16 C21 119.0(3) . . ?
C17 C16 Sb1 128.0(3) . . ?
C21 C16 Sb1 113.0(2) . . ?
C18 C17 C16 118.9(3) . . ?
C18 C17 C22 116.0(3) . . ?
C16 C17 C22 125.1(3) . . ?
C19 C18 C17 122.9(3) . . ?
C18 C19 C20 117.6(3) . . ?
C18 C19 C25 120.7(3) . . ?
C20 C19 C25 121.6(3) . . ?
C19 C20 C21 122.0(3) . . ?
C20 C21 C16 119.6(3) . . ?
C20 C21 C28 116.1(3) . . ?
C16 C21 C28 124.3(3) . . ?
C23 C22 C24 107.6(3) . . ?
C23 C22 C17 113.5(3) . . ?
C24 C22 C17 111.1(3) . . ?
C27 C25 C19 113.4(3) . . ?
C27 C25 C26 111.2(3) . . ?
C19 C25 C26 109.6(3) . . ?
C29 C28 C21 111.7(3) . . ?
C29 C28 C30 111.0(3) . . ?
C21 C28 C30 112.1(3) . . ?
C36 C31 C32 118.2(3) . . ?
C36 C31 Sb2 117.3(2) . . ?
C32 C31 Sb2 124.0(2) . . ?
C33 C32 C31 119.4(3) . . ?
C33 C32 C37 116.1(3) . . ?
C31 C32 C37 124.5(3) . . ?
C34 C33 C32 122.8(3) . . ?
C35 C34 C33 117.4(3) . . ?
C35 C34 C40 122.1(3) . . ?
C33 C34 C40 120.5(3) . . ?
C34 C35 C36 122.0(3) . . ?
C35 C36 C31 120.1(3) . . ?
C35 C36 C43 117.1(3) . . ?
C31 C36 C43 122.7(3) . . ?
C32 C37 C39 111.8(3) . . ?
C32 C37 C38 111.8(3) . . ?
C39 C37 C38 109.7(3) . . ?
C34 C40 C42 110.8(3) . . ?
C34 C40 C41 111.4(3) . . ?
C42 C40 C41 110.1(4) . . ?
C36 C43 C44 112.2(3) . . ?
C36 C43 C45 112.8(3) . . ?
C44 C43 C45 110.3(3) . . ?
C47 C46 C51 118.7(3) . . ?
C47 C46 Sb2 113.7(2) . . ?
C51 C46 Sb2 127.6(2) . . ?
C48 C47 C46 119.7(3) . . ?
C48 C47 C52 116.0(3) . . ?
C46 C47 C52 124.3(3) . . ?
C49 C48 C47 122.4(3) . . ?
C48 C49 C50 117.3(3) . . ?
C48 C49 C55 121.0(3) . . ?
C50 C49 C55 121.6(3) . . ?
C49 C50 C51 123.0(3) . . ?
C50 C51 C46 118.8(3) . . ?
C50 C51 C58 116.6(3) . . ?
C46 C51 C58 124.6(3) . . ?
C47 C52 C53 112.3(3) . . ?
C47 C52 C54 111.9(3) . . ?
C53 C52 C54 110.8(3) . . ?
C49 C55 C56 112.1(3) . . ?
C49 C55 C57 110.8(3) . . ?
C56 C55 C57 110.6(4) . . ?
C51 C58 C60 111.4(3) . . ?
C51 C58 C59 113.3(3) . . ?
C60 C58 C59 107.7(3) . . ?
C62 C61 C66 119.1(3) . . ?
C62 C61 Sb3 127.6(3) . . ?
C66 C61 Sb3 113.3(2) . . ?
C63 C62 C61 118.9(3) . . ?
C63 C62 C67 116.6(3) . . ?
C61 C62 C67 124.6(3) . . ?
C64 C63 C62 123.0(3) . . ?
C63 C64 C65 117.5(3) . . ?
C63 C64 C70 121.2(3) . . ?
C65 C64 C70 121.4(3) . . ?
C66 C65 C64 122.0(3) . . ?
C65 C66 C61 119.4(3) . . ?
C65 C66 C73 116.3(3) . . ?
C61 C66 C73 124.3(3) . . ?
C69 C67 C62 113.3(3) . . ?
C69 C67 C68 107.3(3) . . ?
C62 C67 C68 111.6(3) . . ?
C64 C70 C72 111.2(3) . . ?
C64 C70 C71 111.8(3) . . ?
C72 C70 C71 111.2(4) . . ?
C74 C73 C66 112.9(3) . . ?
C74 C73 C75 110.8(3) . . ?
C66 C73 C75 111.3(3) . . ?
C77 C76 C81 118.0(3) . . ?
C77 C76 Sb3 117.2(2) . . ?
C81 C76 Sb3 124.4(2) . . ?
C78 C77 C76 120.3(3) . . ?
C78 C77 C82 117.6(3) . . ?
C76 C77 C82 122.0(3) . . ?
C79 C78 C77 122.2(3) . . ?
C80 C79 C78 117.4(3) . . ?
C80 C79 C85 120.7(3) . . ?
C78 C79 C85 121.8(3) . . ?
C79 C80 C81 122.7(3) . . ?
C80 C81 C76 119.2(3) . . ?
C80 C81 C88 116.3(3) . . ?
C76 C81 C88 124.4(3) . . ?
C84 C82 C83 111.0(3) . . ?
C84 C82 C77 112.0(3) . . ?
C83 C82 C77 112.0(3) . . ?
C79 C85 C87 112.0(3) . . ?
C79 C85 C86 111.0(3) . . ?
C87 C85 C86 109.4(3) . . ?
C81 C88 C90 112.4(3) . . ?
C81 C88 C89 111.4(3) . . ?
C90 C88 C89 109.7(3) . . ?
C96 C91 C92 118.6(3) . . ?
C96 C91 Sb4 127.8(3) . . ?
C92 C91 Sb4 113.6(2) . . ?
C93 C92 C91 119.4(3) . . ?
C93 C92 C97 116.4(3) . . ?
C91 C92 C97 124.2(3) . . ?
C94 C93 C92 122.5(3) . . ?
C93 C94 C95 117.3(3) . . ?
C93 C94 C100 122.7(3) . . ?
C95 C94 C100 119.9(3) . . ?
C94 C95 C96 122.6(3) . . ?
C95 C96 C91 119.6(3) . . ?
C95 C96 C103 116.0(3) . . ?
C91 C96 C103 124.4(3) . . ?
C99 C97 C92 112.2(3) . . ?
C99 C97 C98 111.1(3) . . ?
C92 C97 C98 112.1(3) . . ?
C94 C100 C101 113.0(3) . . ?
C94 C100 C102 109.6(3) . . ?
C101 C100 C102 110.9(4) . . ?
C105 C103 C104 108.2(3) . . ?
C105 C103 C96 110.7(3) . . ?
C104 C103 C96 113.5(3) . . ?
C111 C106 C107 118.9(3) . . ?
C111 C106 Sb4 116.6(2) . . ?
C107 C106 Sb4 124.2(2) . . ?
C108 C107 C106 118.8(3) . . ?
C108 C107 C112 116.8(3) . . ?
C106 C107 C112 124.4(3) . . ?
C109 C108 C107 123.2(3) . . ?
C108 C109 C110 117.3(3) . . ?
C108 C109 C115 120.6(3) . . ?
C110 C109 C115 122.0(3) . . ?
C109 C110 C111 122.6(3) . . ?
C110 C111 C106 119.1(3) . . ?
C110 C111 C118 117.6(3) . . ?
C106 C111 C118 123.2(3) . . ?
C107 C112 C113 111.3(3) . . ?
C107 C112 C114 112.2(3) . . ?
C113 C112 C114 109.6(3) . . ?
C109 C115 C117 112.2(4) . . ?
C109 C115 C116 110.8(3) . . ?
C117 C115 C116 109.9(4) . . ?
C111 C118 C119 112.6(3) . . ?
C111 C118 C120 113.0(3) . . ?
C119 C118 C120 110.3(3) . . ?
C3A C2A C1A 113.3(5) . . ?
C2A C3A C4A 114.0(5) . . ?
C5A C4A C3A 113.5(4) . . ?
C6A C5A C4A 112.1(4) . . ?
C3B C2B C1B 109.4(13) . . ?
C2B C3B C4B 114.7(10) . . ?
C5B C4B C3B 113.9(10) . . ?
C4B C5B C6B 115.1(11) . . ?
C3C C2C C1C 116.1(11) . . ?
C2C C3C C4C 114.1(11) . . ?
C5C C4C C3C 113.6(10) . . ?
C4C C5C C6C 114.0(13) . . ?
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 C16 2.207(3) . ?
Sb1 C1 2.213(3) . ?
Sb1 Sb2 2.8587(6) . ?
Sb2 C46 2.203(3) . ?
Sb2 C31 2.209(3) . ?
Sb3 C76 2.209(3) . ?
Sb3 C61 2.212(3) . ?
Sb3 Sb4 2.8669(6) . ?
Sb4 C91 2.210(3) . ?
Sb4 C106 2.212(3) . ?
C1 C2 1.414(5) . ?
C1 C6 1.415(5) . ?
C2 C3 1.390(5) . ?
C2 C7 1.524(5) . ?
C3 C4 1.389(5) . ?
C4 C5 1.387(5) . ?
C4 C10 1.520(5) . ?
C5 C6 1.392(5) . ?
C6 C13 1.528(5) . ?
C7 C8 1.532(5) . ?
C7 C9 1.539(5) . ?
C10 C11 1.531(6) . ?
C10 C12 1.535(6) . ?
C13 C15 1.526(6) . ?
C13 C14 1.535(6) . ?
C16 C17 1.413(5) . ?
C16 C21 1.414(5) . ?
C17 C18 1.398(5) . ?
C17 C22 1.532(5) . ?
C18 C19 1.384(5) . ?
C19 C20 1.392(5) . ?
C19 C25 1.524(5) . ?
C20 C21 1.397(5) . ?
C21 C28 1.532(5) . ?
C22 C23 1.526(5) . ?
C22 C24 1.528(6) . ?
C25 C27 1.516(6) . ?
C25 C26 1.527(6) . ?
C28 C29 1.531(5) . ?
C28 C30 1.532(5) . ?
C31 C36 1.406(5) . ?
C31 C32 1.422(5) . ?
C32 C33 1.393(5) . ?
C32 C37 1.521(5) . ?
C33 C34 1.390(5) . ?
C34 C35 1.389(5) . ?
C34 C40 1.517(5) . ?
C35 C36 1.403(5) . ?
C36 C43 1.524(5) . ?
C37 C39 1.534(5) . ?
C37 C38 1.534(5) . ?
C40 C42 1.527(6) . ?
C40 C41 1.531(6) . ?
C43 C44 1.528(5) . ?
C43 C45 1.529(5) . ?
C46 C47 1.414(5) . ?
C46 C51 1.422(5) . ?
C47 C48 1.397(5) . ?
C47 C52 1.526(5) . ?
C48 C49 1.386(5) . ?
C49 C50 1.391(5) . ?
C49 C55 1.514(5) . ?
C50 C51 1.396(5) . ?
C51 C58 1.521(5) . ?
C52 C53 1.527(5) . ?
C52 C54 1.537(5) . ?
C55 C56 1.520(6) . ?
C55 C57 1.529(6) . ?
C58 C60 1.531(6) . ?
C58 C59 1.540(5) . ?
C61 C62 1.413(5) . ?
C61 C66 1.414(5) . ?
C62 C63 1.396(5) . ?
C62 C67 1.528(5) . ?
C63 C64 1.383(5) . ?
C64 C65 1.397(5) . ?
C64 C70 1.521(5) . ?
C65 C66 1.397(5) . ?
C66 C73 1.527(5) . ?
C67 C69 1.527(5) . ?
C67 C68 1.546(5) . ?
C70 C72 1.522(6) . ?
C70 C71 1.523(6) . ?
C73 C74 1.524(5) . ?
C73 C75 1.538(5) . ?
C76 C77 1.409(5) . ?
C76 C81 1.420(5) . ?
C77 C78 1.389(5) . ?
C77 C82 1.537(5) . ?
C78 C79 1.386(5) . ?
C79 C80 1.385(5) . ?
C79 C85 1.517(5) . ?
C80 C81 1.397(5) . ?
C81 C88 1.527(5) . ?
C82 C84 1.529(6) . ?
C82 C83 1.533(5) . ?
C85 C87 1.525(5) . ?
C85 C86 1.537(6) . ?
C88 C90 1.530(5) . ?
C88 C89 1.537(5) . ?
C91 C96 1.411(5) . ?
C91 C92 1.418(5) . ?
C92 C93 1.398(5) . ?
C92 C97 1.529(5) . ?
C93 C94 1.389(5) . ?
C94 C95 1.392(5) . ?
C94 C100 1.519(5) . ?
C95 C96 1.395(5) . ?
C96 C103 1.531(5) . ?
C97 C99 1.523(5) . ?
C97 C98 1.534(5) . ?
C100 C101 1.528(6) . ?
C100 C102 1.529(6) . ?
C103 C105 1.521(6) . ?
C103 C104 1.529(6) . ?
C106 C111 1.414(5) . ?
C106 C107 1.421(5) . ?
C107 C108 1.392(5) . ?
C107 C112 1.519(5) . ?
C108 C109 1.382(5) . ?
C109 C110 1.389(5) . ?
C109 C115 1.520(5) . ?
C110 C111 1.398(5) . ?
C111 C118 1.517(5) . ?
C112 C113 1.535(5) . ?
C112 C114 1.538(5) . ?
C115 C117 1.525(6) . ?
C115 C116 1.535(6) . ?
C118 C119 1.526(5) . ?
C118 C120 1.529(5) . ?
C1A C2A 1.547(7) . ?
C2A C3A 1.488(7) . ?
C3A C4A 1.548(7) . ?
C4A C5A 1.509(6) . ?
C5A C6A 1.507(6) . ?
C1B C2B 1.533(14) . ?
C2B C3B 1.503(12) . ?
C3B C4B 1.537(13) . ?
C4B C5B 1.474(12) . ?
C5B C6B 1.528(13) . ?
C1C C2C 1.521(13) . ?
C2C C3C 1.460(13) . ?
C3C C4C 1.526(13) . ?
C4C C5C 1.506(12) . ?
C5C C6C 1.532(13) . ?
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
C6 C1 C2 C3 3.4(5) . . . . ?
Sb1 C1 C2 C3 -170.0(3) . . . . ?
C6 C1 C2 C7 -175.5(3) . . . . ?
Sb1 C1 C2 C7 11.2(5) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C7 C2 C3 C4 178.0(3) . . . . ?
C2 C3 C4 C5 -1.1(6) . . . . ?
C2 C3 C4 C10 -178.1(3) . . . . ?
C3 C4 C5 C6 0.6(6) . . . . ?
C10 C4 C5 C6 177.6(4) . . . . ?
C4 C5 C6 C1 1.9(6) . . . . ?
C4 C5 C6 C13 -178.4(3) . . . . ?
C2 C1 C6 C5 -3.8(5) . . . . ?
Sb1 C1 C6 C5 170.0(3) . . . . ?
C2 C1 C6 C13 176.4(3) . . . . ?
Sb1 C1 C6 C13 -9.8(5) . . . . ?
C3 C2 C7 C8 63.5(4) . . . . ?
C1 C2 C7 C8 -117.7(4) . . . . ?
C3 C2 C7 C9 -59.7(4) . . . . ?
C1 C2 C7 C9 119.2(4) . . . . ?
C5 C4 C10 C11 124.4(4) . . . . ?
C3 C4 C10 C11 -58.7(5) . . . . ?
C5 C4 C10 C12 -112.6(4) . . . . ?
C3 C4 C10 C12 64.3(5) . . . . ?
C5 C6 C13 C15 53.8(4) . . . . ?
C1 C6 C13 C15 -126.4(4) . . . . ?
C5 C6 C13 C14 -70.7(4) . . . . ?
C1 C6 C13 C14 109.1(4) . . . . ?
C21 C16 C17 C18 -2.8(5) . . . . ?
Sb1 C16 C17 C18 179.4(3) . . . . ?
C21 C16 C17 C22 176.2(3) . . . . ?
Sb1 C16 C17 C22 -1.5(5) . . . . ?
C16 C17 C18 C19 2.6(5) . . . . ?
C22 C17 C18 C19 -176.5(3) . . . . ?
C17 C18 C19 C20 -1.0(5) . . . . ?
C17 C18 C19 C25 175.5(3) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C25 C19 C20 C21 -176.8(3) . . . . ?
C19 C20 C21 C16 0.1(5) . . . . ?
C19 C20 C21 C28 179.5(3) . . . . ?
C17 C16 C21 C20 1.5(5) . . . . ?
Sb1 C16 C21 C20 179.6(3) . . . . ?
C17 C16 C21 C28 -177.9(3) . . . . ?
Sb1 C16 C21 C28 0.2(4) . . . . ?
C18 C17 C22 C23 -72.3(4) . . . . ?
C16 C17 C22 C23 108.7(4) . . . . ?
C18 C17 C22 C24 49.1(5) . . . . ?
C16 C17 C22 C24 -130.0(4) . . . . ?
C18 C19 C25 C27 136.4(4) . . . . ?
C20 C19 C25 C27 -47.3(5) . . . . ?
C18 C19 C25 C26 -98.7(4) . . . . ?
C20 C19 C25 C26 77.7(4) . . . . ?
C20 C21 C28 C29 -62.4(4) . . . . ?
C16 C21 C28 C29 117.0(4) . . . . ?
C20 C21 C28 C30 62.8(4) . . . . ?
C16 C21 C28 C30 -117.8(4) . . . . ?
C36 C31 C32 C33 3.6(5) . . . . ?
Sb2 C31 C32 C33 -168.3(3) . . . . ?
C36 C31 C32 C37 -175.9(3) . . . . ?
Sb2 C31 C32 C37 12.3(5) . . . . ?
C31 C32 C33 C34 -0.7(5) . . . . ?
C37 C32 C33 C34 178.8(3) . . . . ?
C32 C33 C34 C35 -2.0(5) . . . . ?
C32 C33 C34 C40 -179.6(3) . . . . ?
C33 C34 C35 C36 1.8(5) . . . . ?
C40 C34 C35 C36 179.4(3) . . . . ?
C34 C35 C36 C31 1.1(5) . . . . ?
C34 C35 C36 C43 -177.8(3) . . . . ?
C32 C31 C36 C35 -3.8(5) . . . . ?
Sb2 C31 C36 C35 168.6(3) . . . . ?
C32 C31 C36 C43 175.0(3) . . . . ?
Sb2 C31 C36 C43 -12.6(4) . . . . ?
C33 C32 C37 C39 62.7(4) . . . . ?
C31 C32 C37 C39 -117.9(4) . . . . ?
C33 C32 C37 C38 -60.8(4) . . . . ?
C31 C32 C37 C38 118.6(4) . . . . ?
C35 C34 C40 C42 -111.5(4) . . . . ?
C33 C34 C40 C42 66.0(5) . . . . ?
C35 C34 C40 C41 125.5(4) . . . . ?
C33 C34 C40 C41 -57.0(5) . . . . ?
C35 C36 C43 C44 -74.4(4) . . . . ?
C31 C36 C43 C44 106.7(4) . . . . ?
C35 C36 C43 C45 50.9(4) . . . . ?
C31 C36 C43 C45 -127.9(4) . . . . ?
C51 C46 C47 C48 2.3(5) . . . . ?
Sb2 C46 C47 C48 -178.6(3) . . . . ?
C51 C46 C47 C52 -178.3(3) . . . . ?
Sb2 C46 C47 C52 0.9(4) . . . . ?
C46 C47 C48 C49 -0.3(5) . . . . ?
C52 C47 C48 C49 -179.8(3) . . . . ?
C47 C48 C49 C50 -1.0(5) . . . . ?
C47 C48 C49 C55 -178.9(3) . . . . ?
C48 C49 C50 C51 0.4(5) . . . . ?
C55 C49 C50 C51 178.3(3) . . . . ?
C49 C50 C51 C46 1.6(5) . . . . ?
C49 C50 C51 C58 -177.2(3) . . . . ?
C47 C46 C51 C50 -2.9(5) . . . . ?
Sb2 C46 C51 C50 178.1(3) . . . . ?
C47 C46 C51 C58 175.9(3) . . . . ?
Sb2 C46 C51 C58 -3.2(5) . . . . ?
C48 C47 C52 C53 63.7(4) . . . . ?
C46 C47 C52 C53 -115.8(4) . . . . ?
C48 C47 C52 C54 -61.7(4) . . . . ?
C46 C47 C52 C54 118.8(4) . . . . ?
C48 C49 C55 C56 -135.1(4) . . . . ?
C50 C49 C55 C56 47.1(5) . . . . ?
C48 C49 C55 C57 100.8(4) . . . . ?
C50 C49 C55 C57 -77.0(5) . . . . ?
C50 C51 C58 C60 52.2(4) . . . . ?
C46 C51 C58 C60 -126.6(4) . . . . ?
C50 C51 C58 C59 -69.4(4) . . . . ?
C46 C51 C58 C59 111.8(4) . . . . ?
C66 C61 C62 C63 3.5(5) . . . . ?
Sb3 C61 C62 C63 -177.9(3) . . . . ?
C66 C61 C62 C67 -175.4(3) . . . . ?
Sb3 C61 C62 C67 3.2(5) . . . . ?
C61 C62 C63 C64 -2.5(5) . . . . ?
C67 C62 C63 C64 176.6(3) . . . . ?
C62 C63 C64 C65 -0.3(5) . . . . ?
C62 C63 C64 C70 -178.7(3) . . . . ?
C63 C64 C65 C66 2.1(5) . . . . ?
C70 C64 C65 C66 -179.5(3) . . . . ?
C64 C65 C66 C61 -1.0(5) . . . . ?
C64 C65 C66 C73 179.5(3) . . . . ?
C62 C61 C66 C65 -1.9(5) . . . . ?
Sb3 C61 C66 C65 179.3(3) . . . . ?
C62 C61 C66 C73 177.6(3) . . . . ?
Sb3 C61 C66 C73 -1.2(4) . . . . ?
C63 C62 C67 C69 76.2(4) . . . . ?
C61 C62 C67 C69 -104.8(4) . . . . ?
C63 C62 C67 C68 -45.0(4) . . . . ?
C61 C62 C67 C68 134.0(4) . . . . ?
C63 C64 C70 C72 108.5(4) . . . . ?
C65 C64 C70 C72 -69.9(5) . . . . ?
C63 C64 C70 C71 -126.6(4) . . . . ?
C65 C64 C70 C71 55.0(5) . . . . ?
C65 C66 C73 C74 -61.2(4) . . . . ?
C61 C66 C73 C74 119.4(4) . . . . ?
C65 C66 C73 C75 64.2(4) . . . . ?
C61 C66 C73 C75 -115.3(4) . . . . ?
C81 C76 C77 C78 4.5(5) . . . . ?
Sb3 C76 C77 C78 -168.3(3) . . . . ?
C81 C76 C77 C82 -176.3(3) . . . . ?
Sb3 C76 C77 C82 10.9(4) . . . . ?
C76 C77 C78 C79 -2.1(6) . . . . ?
C82 C77 C78 C79 178.6(3) . . . . ?
C77 C78 C79 C80 -1.1(5) . . . . ?
C77 C78 C79 C85 -178.7(4) . . . . ?
C78 C79 C80 C81 1.9(5) . . . . ?
C85 C79 C80 C81 179.6(3) . . . . ?
C79 C80 C81 C76 0.4(5) . . . . ?
C79 C80 C81 C88 -179.4(3) . . . . ?
C77 C76 C81 C80 -3.6(5) . . . . ?
Sb3 C76 C81 C80 168.6(3) . . . . ?
C77 C76 C81 C88 176.2(3) . . . . ?
Sb3 C76 C81 C88 -11.5(5) . . . . ?
C78 C77 C82 C84 71.5(4) . . . . ?
C76 C77 C82 C84 -107.8(4) . . . . ?
C78 C77 C82 C83 -53.9(4) . . . . ?
C76 C77 C82 C83 126.9(4) . . . . ?
C80 C79 C85 C87 58.0(5) . . . . ?
C78 C79 C85 C87 -124.5(4) . . . . ?
C80 C79 C85 C86 -64.6(5) . . . . ?
C78 C79 C85 C86 112.9(4) . . . . ?
C80 C81 C88 C90 -62.3(4) . . . . ?
C76 C81 C88 C90 117.8(4) . . . . ?
C80 C81 C88 C89 61.3(4) . . . . ?
C76 C81 C88 C89 -118.6(4) . . . . ?
C96 C91 C92 C93 -1.1(5) . . . . ?
Sb4 C91 C92 C93 -178.8(3) . . . . ?
C96 C91 C92 C97 179.3(3) . . . . ?
Sb4 C91 C92 C97 1.6(4) . . . . ?
C91 C92 C93 C94 0.0(5) . . . . ?
C97 C92 C93 C94 179.6(3) . . . . ?
C92 C93 C94 C95 0.5(5) . . . . ?
C92 C93 C94 C100 176.5(3) . . . . ?
C93 C94 C95 C96 0.1(5) . . . . ?
C100 C94 C95 C96 -176.0(3) . . . . ?
C94 C95 C96 C91 -1.2(5) . . . . ?
C94 C95 C96 C103 177.4(3) . . . . ?
C92 C91 C96 C95 1.7(5) . . . . ?
Sb4 C91 C96 C95 179.0(3) . . . . ?
C92 C91 C96 C103 -176.8(3) . . . . ?
Sb4 C91 C96 C103 0.5(5) . . . . ?
C93 C92 C97 C99 -65.4(4) . . . . ?
C91 C92 C97 C99 114.2(4) . . . . ?
C93 C92 C97 C98 60.5(4) . . . . ?
C91 C92 C97 C98 -119.9(4) . . . . ?
C93 C94 C100 C101 43.7(5) . . . . ?
C95 C94 C100 C101 -140.4(4) . . . . ?
C93 C94 C100 C102 -80.5(5) . . . . ?
C95 C94 C100 C102 95.4(4) . . . . ?
C95 C96 C103 C105 -56.2(4) . . . . ?
C91 C96 C103 C105 122.3(4) . . . . ?
C95 C96 C103 C104 65.7(4) . . . . ?
C91 C96 C103 C104 -115.8(4) . . . . ?
C111 C106 C107 C108 -3.9(5) . . . . ?
Sb4 C106 C107 C108 169.0(3) . . . . ?
C111 C106 C107 C112 173.9(3) . . . . ?
Sb4 C106 C107 C112 -13.2(5) . . . . ?
C106 C107 C108 C109 1.3(5) . . . . ?
C112 C107 C108 C109 -176.7(3) . . . . ?
C107 C108 C109 C110 1.0(6) . . . . ?
C107 C108 C109 C115 177.5(4) . . . . ?
C108 C109 C110 C111 -0.6(6) . . . . ?
C115 C109 C110 C111 -177.1(4) . . . . ?
C109 C110 C111 C106 -2.0(5) . . . . ?
C109 C110 C111 C118 178.2(3) . . . . ?
C107 C106 C111 C110 4.2(5) . . . . ?
Sb4 C106 C111 C110 -169.2(3) . . . . ?
C107 C106 C111 C118 -176.0(3) . . . . ?
Sb4 C106 C111 C118 10.6(4) . . . . ?
C108 C107 C112 C113 59.5(4) . . . . ?
C106 C107 C112 C113 -118.3(4) . . . . ?
C108 C107 C112 C114 -63.8(4) . . . . ?
C106 C107 C112 C114 118.4(4) . . . . ?
C108 C109 C115 C117 61.1(5) . . . . ?
C110 C109 C115 C117 -122.6(4) . . . . ?
C108 C109 C115 C116 -62.1(5) . . . . ?
C110 C109 C115 C116 114.2(4) . . . . ?
C110 C111 C118 C119 75.9(4) . . . . ?
C106 C111 C118 C119 -103.9(4) . . . . ?
C110 C111 C118 C120 -49.9(4) . . . . ?
C106 C111 C118 C120 130.3(4) . . . . ?
C1A C2A C3A C4A 54.1(7) . . . . ?
C2A C3A C4A C5A 59.2(7) . . . . ?
C3A C4A C5A C6A -176.7(5) . . . . ?
C1B C2B C3B C4B -177.9(18) . . . . ?
C2B C3B C4B C5B 60.6(15) . . . . ?
C3B C4B C5B C6B 53.3(16) . . . . ?
C1C C2C C3C C4C 61.8(17) . . . . ?
C2C C3C C4C C5C 63.3(16) . . . . ?
C3C C4C C5C C6C 175.7(15) . . . . ?
