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#$Date: 2022-06-21 11:00:13 +0300 (Tue, 21 Jun 2022) $
#$Revision: 276121 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/54/8105434.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_8105434
loop_
_publ_author_name
'Lo, Kong Mun'
'Lee, See Mun'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of
 2,2,4,4,6,6-hexakis(4-chlorophenyl)-1,3,5,2,4,6-trithiatristanninane,
 C36H24Cl6S3Sn3
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1249
_journal_page_last               1251
_journal_paper_doi               10.1515/ncrs-2020-0293
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety         'C36 H24 Cl6 S3 Sn3'
_chemical_formula_sum            'C36 H24 Cl6 S3 Sn3'
_chemical_formula_weight         1121.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 94.5360(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.31800(10)
_cell_length_b                   18.10080(10)
_cell_length_c                   20.9015(2)
_cell_measurement_reflns_used    29502
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.5670
_cell_measurement_theta_min      3.2290
_cell_volume                     3891.42(6)
_computing_cell_refinement       'CrysAlisPro [1]'
_computing_data_collection       'CrysAlisPro [1]'
_computing_data_reduction        'CrysAlisPro [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 [3]'
_computing_structure_solution    'SHELXT 2014/5 [2]'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.2558
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0188
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47327
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.074
_diffrn_reflns_theta_max         67.074
_diffrn_reflns_theta_min         3.234
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    20.702
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro [1]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_description       prism
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.099
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6937
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0263P)²+2.0454P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0442
_refine_ls_wR_factor_ref         0.0448
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6635
_reflns_number_total             6937
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2020-0293_suppl.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8105434
_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   0.234
_shelx_estimated_absorpt_t_max   0.499
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'
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
Sn1 Sn 0.24491(2) 0.57778(2) 0.50844(2) 0.01549(4) Uani 1 1 d . . . . .
Sn2 Sn 0.39887(2) 0.75164(2) 0.57769(2) 0.01476(4) Uani 1 1 d . . . . .
Sn3 Sn 0.11603(2) 0.76134(2) 0.45669(2) 0.01582(4) Uani 1 1 d . . . . .
S1 S 0.44349(5) 0.64736(3) 0.51161(2) 0.01871(10) Uani 1 1 d . . . . .
S2 S 0.27003(5) 0.84020(3) 0.51547(3) 0.02078(11) Uani 1 1 d . . . . .
S3 S 0.06039(5) 0.65607(3) 0.52062(2) 0.01856(10) Uani 1 1 d . . . . .
Cl1 Cl 0.27701(6) 0.32391(3) 0.73857(3) 0.03366(13) Uani 1 1 d . . . . .
Cl2 Cl 0.25307(6) 0.38242(3) 0.23951(3) 0.03496(13) Uani 1 1 d . . . . .
Cl3 Cl 0.15921(7) 0.59722(3) 0.83106(3) 0.03782(14) Uani 1 1 d . . . . .
Cl4 Cl 0.98627(5) 0.90130(3) 0.61796(3) 0.03142(13) Uani 1 1 d . . . . .
Cl5 Cl 0.32369(6) 0.59405(3) 0.20036(3) 0.03229(13) Uani 1 1 d . . . . .
Cl6 Cl -0.44251(6) 0.94468(3) 0.41901(3) 0.03753(14) Uani 1 1 d . . . . .
C1 C 0.24760(19) 0.49902(11) 0.58427(10) 0.0171(4) Uani 1 1 d . . . . .
C2 C 0.2009(2) 0.51276(12) 0.64398(11) 0.0224(4) Uani 1 1 d . . . . .
H2 H 0.162880 0.559311 0.652039 0.027 Uiso 1 1 calc R U . . .
C3 C 0.2091(2) 0.45924(13) 0.69186(11) 0.0253(5) Uani 1 1 d . . . . .
H3 H 0.175545 0.468477 0.732120 0.030 Uiso 1 1 calc R U . . .
C4 C 0.2673(2) 0.39214(12) 0.67979(11) 0.0219(4) Uani 1 1 d . . . . .
C5 C 0.3158(2) 0.37760(12) 0.62154(11) 0.0215(4) Uani 1 1 d . . . . .
H5 H 0.356781 0.331707 0.614212 0.026 Uiso 1 1 calc R U . . .
C6 C 0.3040(2) 0.43088(12) 0.57374(11) 0.0203(4) Uani 1 1 d . . . . .
H6 H 0.335062 0.420578 0.533085 0.024 Uiso 1 1 calc R U . . .
C7 C 0.2455(2) 0.51760(11) 0.42087(10) 0.0182(4) Uani 1 1 d . . . . .
C8 C 0.3559(2) 0.51690(12) 0.38639(11) 0.0203(4) Uani 1 1 d . . . . .
H8 H 0.429800 0.545233 0.401233 0.024 Uiso 1 1 calc R U . . .
C9 C 0.3593(2) 0.47529(12) 0.33059(11) 0.0220(4) Uani 1 1 d . . . . .
H9 H 0.434786 0.474989 0.307319 0.026 Uiso 1 1 calc R U . . .
C10 C 0.2513(2) 0.43444(12) 0.30961(11) 0.0239(5) Uani 1 1 d . . . . .
C11 C 0.1408(2) 0.43345(13) 0.34316(12) 0.0284(5) Uani 1 1 d . . . . .
H11 H 0.067519 0.404598 0.328438 0.034 Uiso 1 1 calc R U . . .
C12 C 0.1391(2) 0.47541(13) 0.39873(11) 0.0254(5) Uani 1 1 d . . . . .
H12 H 0.063593 0.475191 0.421985 0.030 Uiso 1 1 calc R U . . .
C13 C 0.31780(19) 0.70915(11) 0.66075(10) 0.0170(4) Uani 1 1 d . . . . .
C14 C 0.1899(2) 0.72169(12) 0.67542(10) 0.0187(4) Uani 1 1 d . . . . .
H14 H 0.135453 0.753398 0.648942 0.022 Uiso 1 1 calc R U . . .
C15 C 0.1417(2) 0.68813(12) 0.72850(11) 0.0221(4) Uani 1 1 d . . . . .
H15 H 0.054910 0.696919 0.738596 0.027 Uiso 1 1 calc R U . . .
C16 C 0.2219(2) 0.64185(12) 0.76630(11) 0.0252(5) Uani 1 1 d . . . . .
C17 C 0.3506(2) 0.63001(13) 0.75447(11) 0.0264(5) Uani 1 1 d . . . . .
H17 H 0.405222 0.599422 0.781936 0.032 Uiso 1 1 calc R U . . .
C18 C 0.3977(2) 0.66406(12) 0.70139(11) 0.0223(4) Uani 1 1 d . . . . .
H18 H 0.485625 0.656576 0.692554 0.027 Uiso 1 1 calc R U . . .
C19 C 0.58702(19) 0.79940(12) 0.59291(10) 0.0178(4) Uani 1 1 d . . . . .
C20 C 0.6968(2) 0.75462(12) 0.60179(11) 0.0215(5) Uani 1 1 d . . . . .
H20 H 0.687298 0.702438 0.602809 0.026 Uiso 1 1 calc R U . . .
C21 C 0.8204(2) 0.78597(13) 0.60918(11) 0.0225(4) Uani 1 1 d . . . . .
H21 H 0.895416 0.755580 0.615149 0.027 Uiso 1 1 calc R U . . .
C22 C 0.8320(2) 0.86194(13) 0.60768(10) 0.0221(4) Uani 1 1 d . . . . .
C23 C 0.7246(2) 0.90740(13) 0.59840(12) 0.0253(5) Uani 1 1 d . . . . .
H23 H 0.734535 0.959543 0.597100 0.030 Uiso 1 1 calc R U . . .
C24 C 0.6019(2) 0.87565(12) 0.59101(11) 0.0221(4) Uani 1 1 d . . . . .
H24 H 0.527300 0.906346 0.584585 0.027 Uiso 1 1 calc R U . . .
C25 C 0.1865(2) 0.71137(12) 0.37349(10) 0.0180(4) Uani 1 1 d . . . . .
C26 C 0.1034(2) 0.66423(12) 0.33656(11) 0.0213(4) Uani 1 1 d . . . . .
H26 H 0.017199 0.656828 0.348196 0.026 Uiso 1 1 calc R U . . .
C27 C 0.1444(2) 0.62807(13) 0.28329(11) 0.0241(5) Uani 1 1 d . . . . .
H27 H 0.087121 0.596487 0.258169 0.029 Uiso 1 1 calc R U . . .
C28 C 0.2710(2) 0.63913(13) 0.26755(10) 0.0237(5) Uani 1 1 d . . . . .
C29 C 0.3559(2) 0.68476(13) 0.30317(11) 0.0232(5) Uani 1 1 d . . . . .
H29 H 0.442317 0.691314 0.291543 0.028 Uiso 1 1 calc R U . . .
C30 C 0.3136(2) 0.72109(12) 0.35633(11) 0.0200(4) Uani 1 1 d . . . . .
H30 H 0.371376 0.752691 0.381119 0.024 Uiso 1 1 calc R U . . .
C31 C -0.06041(19) 0.82310(12) 0.44495(10) 0.0185(4) Uani 1 1 d . . . . .
C32 C -0.0630(2) 0.89982(12) 0.44359(11) 0.0215(4) Uani 1 1 d . . . . .
H32 H 0.016478 0.926535 0.448321 0.026 Uiso 1 1 calc R U . . .
C33 C -0.1793(2) 0.93794(13) 0.43547(12) 0.0250(5) Uani 1 1 d . . . . .
H33 H -0.180298 0.990401 0.434157 0.030 Uiso 1 1 calc R U . . .
C34 C -0.2947(2) 0.89801(13) 0.42925(11) 0.0249(5) Uani 1 1 d . . . . .
C35 C -0.2952(2) 0.82229(13) 0.43206(13) 0.0291(5) Uani 1 1 d . . . . .
H35 H -0.375080 0.795905 0.428775 0.035 Uiso 1 1 calc R U . . .
C36 C -0.1778(2) 0.78463(13) 0.43976(13) 0.0276(5) Uani 1 1 d . . . . .
H36 H -0.177393 0.732189 0.441511 0.033 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C7 Sn1 C1 107.23(8) . .
C7 Sn1 S1 103.39(6) . .
C1 Sn1 S1 111.69(5) . .
C7 Sn1 S3 116.66(6) . .
C1 Sn1 S3 106.24(6) . .
S1 Sn1 S3 111.667(18) . .
C19 Sn2 C13 115.96(8) . .
C19 Sn2 S2 105.65(6) . .
C13 Sn2 S2 116.54(6) . .
C19 Sn2 S1 101.02(6) . .
C13 Sn2 S1 106.87(6) . .
S2 Sn2 S1 109.644(18) . .
C31 Sn3 C25 118.03(8) . .
C31 Sn3 S2 105.75(6) . .
C25 Sn3 S2 114.46(6) . .
C31 Sn3 S3 103.79(6) . .
C25 Sn3 S3 103.10(6) . .
S2 Sn3 S3 111.201(18) . .
Sn1 S1 Sn2 103.050(18) . .
Sn2 S2 Sn3 101.308(19) . .
Sn1 S3 Sn3 100.435(18) . .
C6 C1 C2 118.6(2) . .
C6 C1 Sn1 117.22(16) . .
C2 C1 Sn1 124.13(15) . .
C3 C2 C1 120.9(2) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C4 C3 C2 118.8(2) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C5 C4 C3 121.4(2) . .
C5 C4 Cl1 118.95(17) . .
C3 C4 Cl1 119.66(18) . .
C4 C5 C6 119.1(2) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C1 C6 C5 121.2(2) . .
C1 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C12 C7 C8 118.7(2) . .
C12 C7 Sn1 120.82(16) . .
C8 C7 Sn1 120.40(15) . .
C9 C8 C7 120.9(2) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C10 C9 C8 118.9(2) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
C9 C10 C11 121.5(2) . .
C9 C10 Cl2 119.63(18) . .
C11 C10 Cl2 118.86(18) . .
C10 C11 C12 118.8(2) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C7 C12 C11 121.2(2) . .
C7 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C14 C13 C18 118.9(2) . .
C14 C13 Sn2 124.00(16) . .
C18 C13 Sn2 117.08(15) . .
C15 C14 C13 120.5(2) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C16 C15 C14 119.1(2) . .
C16 C15 H15 120.5 . .
C14 C15 H15 120.5 . .
C15 C16 C17 122.0(2) . .
C15 C16 Cl3 118.90(18) . .
C17 C16 Cl3 119.07(19) . .
C16 C17 C18 118.3(2) . .
C16 C17 H17 120.9 . .
C18 C17 H17 120.9 . .
C17 C18 C13 121.2(2) . .
C17 C18 H18 119.4 . .
C13 C18 H18 119.4 . .
C24 C19 C20 119.43(19) . .
C24 C19 Sn2 120.07(15) . .
C20 C19 Sn2 120.42(16) . .
C21 C20 C19 120.3(2) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C22 C21 C20 118.9(2) . .
C22 C21 H21 120.5 . .
C20 C21 H21 120.5 . .
C23 C22 C21 121.74(19) . .
C23 C22 Cl4 119.27(18) . .
C21 C22 Cl4 118.99(17) . .
C22 C23 C24 118.9(2) . .
C22 C23 H23 120.5 . .
C24 C23 H23 120.5 . .
C23 C24 C19 120.7(2) . .
C23 C24 H24 119.7 . .
C19 C24 H24 119.7 . .
C30 C25 C26 118.8(2) . .
C30 C25 Sn3 122.80(16) . .
C26 C25 Sn3 118.32(15) . .
C27 C26 C25 121.3(2) . .
C27 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C28 C27 C26 118.4(2) . .
C28 C27 H27 120.8 . .
C26 C27 H27 120.8 . .
C29 C28 C27 121.9(2) . .
C29 C28 Cl5 119.27(18) . .
C27 C28 Cl5 118.81(18) . .
C28 C29 C30 119.2(2) . .
C28 C29 H29 120.4 . .
C30 C29 H29 120.4 . .
C29 C30 C25 120.4(2) . .
C29 C30 H30 119.8 . .
C25 C30 H30 119.8 . .
C32 C31 C36 118.88(19) . .
C32 C31 Sn3 122.73(15) . .
C36 C31 Sn3 118.37(16) . .
C33 C32 C31 121.1(2) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C32 C33 C34 118.7(2) . .
C32 C33 H33 120.6 . .
C34 C33 H33 120.6 . .
C35 C34 C33 121.5(2) . .
C35 C34 Cl6 118.89(18) . .
C33 C34 Cl6 119.64(18) . .
C34 C35 C36 119.3(2) . .
C34 C35 H35 120.4 . .
C36 C35 H35 120.4 . .
C35 C36 C31 120.6(2) . .
C35 C36 H36 119.7 . .
C31 C36 H36 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C7 2.130(2) .
Sn1 C1 2.130(2) .
Sn1 S1 2.4014(5) .
Sn1 S3 2.4030(5) .
Sn2 C19 2.126(2) .
Sn2 C13 2.130(2) .
Sn2 S2 2.3989(5) .
Sn2 S1 2.4048(5) .
Sn3 C31 2.134(2) .
Sn3 C25 2.138(2) .
Sn3 S2 2.4006(5) .
Sn3 S3 2.4221(5) .
Cl1 C4 1.739(2) .
Cl2 C10 1.743(2) .
Cl3 C16 1.744(2) .
Cl4 C22 1.742(2) .
Cl5 C28 1.748(2) .
Cl6 C34 1.742(2) .
C1 C6 1.389(3) .
C1 C2 1.395(3) .
C2 C3 1.390(3) .
C2 H2 0.9500 .
C3 C4 1.387(3) .
C3 H3 0.9500 .
C4 C5 1.378(3) .
C5 C6 1.387(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.387(3) .
C7 C8 1.396(3) .
C8 C9 1.391(3) .
C8 H8 0.9500 .
C9 C10 1.380(3) .
C9 H9 0.9500 .
C10 C11 1.385(3) .
C11 C12 1.389(3) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.396(3) .
C13 C18 1.399(3) .
C14 C15 1.391(3) .
C14 H14 0.9500 .
C15 C16 1.381(4) .
C15 H15 0.9500 .
C16 C17 1.387(3) .
C17 C18 1.390(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.389(3) .
C19 C20 1.393(3) .
C20 C21 1.393(3) .
C20 H20 0.9500 .
C21 C22 1.381(3) .
C21 H21 0.9500 .
C22 C23 1.382(3) .
C23 C24 1.388(3) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C30 1.398(3) .
C25 C26 1.398(3) .
C26 C27 1.386(3) .
C26 H26 0.9500 .
C27 C28 1.387(3) .
C27 H27 0.9500 .
C28 C29 1.379(3) .
C29 C30 1.391(3) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.389(3) .
C31 C36 1.394(3) .
C32 C33 1.383(3) .
C32 H32 0.9500 .
C33 C34 1.390(3) .
C33 H33 0.9500 .
C34 C35 1.372(3) .
C35 C36 1.389(3) .
C35 H35 0.9500 .
C36 H36 0.9500 .
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
C6 C1 C2 C3 -0.7(3) . . . .
Sn1 C1 C2 C3 -178.20(17) . . . .
C1 C2 C3 C4 1.3(3) . . . .
C2 C3 C4 C5 -0.4(3) . . . .
C2 C3 C4 Cl1 -179.21(17) . . . .
C3 C4 C5 C6 -1.1(3) . . . .
Cl1 C4 C5 C6 177.68(16) . . . .
C2 C1 C6 C5 -0.9(3) . . . .
Sn1 C1 C6 C5 176.79(16) . . . .
C4 C5 C6 C1 1.8(3) . . . .
C12 C7 C8 C9 0.5(3) . . . .
Sn1 C7 C8 C9 177.26(16) . . . .
C7 C8 C9 C10 0.0(3) . . . .
C8 C9 C10 C11 -0.7(3) . . . .
C8 C9 C10 Cl2 179.55(17) . . . .
C9 C10 C11 C12 0.8(4) . . . .
Cl2 C10 C11 C12 -179.47(19) . . . .
C8 C7 C12 C11 -0.4(3) . . . .
Sn1 C7 C12 C11 -177.16(18) . . . .
C10 C11 C12 C7 -0.2(4) . . . .
C18 C13 C14 C15 -1.9(3) . . . .
Sn2 C13 C14 C15 175.88(15) . . . .
C13 C14 C15 C16 -0.4(3) . . . .
C14 C15 C16 C17 2.6(3) . . . .
C14 C15 C16 Cl3 -177.66(16) . . . .
C15 C16 C17 C18 -2.4(3) . . . .
Cl3 C16 C17 C18 177.86(18) . . . .
C16 C17 C18 C13 0.0(3) . . . .
C14 C13 C18 C17 2.1(3) . . . .
Sn2 C13 C18 C17 -175.83(17) . . . .
C24 C19 C20 C21 0.5(3) . . . .
Sn2 C19 C20 C21 177.41(17) . . . .
C19 C20 C21 C22 0.1(3) . . . .
C20 C21 C22 C23 -0.7(3) . . . .
C20 C21 C22 Cl4 179.17(17) . . . .
C21 C22 C23 C24 0.6(4) . . . .
Cl4 C22 C23 C24 -179.25(18) . . . .
C22 C23 C24 C19 0.0(4) . . . .
C20 C19 C24 C23 -0.5(3) . . . .
Sn2 C19 C24 C23 -177.50(17) . . . .
C30 C25 C26 C27 -0.8(3) . . . .
Sn3 C25 C26 C27 -177.78(16) . . . .
C25 C26 C27 C28 0.6(3) . . . .
C26 C27 C28 C29 -0.1(3) . . . .
C26 C27 C28 Cl5 -179.83(17) . . . .
C27 C28 C29 C30 -0.2(3) . . . .
Cl5 C28 C29 C30 179.48(16) . . . .
C28 C29 C30 C25 0.1(3) . . . .
C26 C25 C30 C29 0.4(3) . . . .
Sn3 C25 C30 C29 177.28(16) . . . .
C36 C31 C32 C33 -1.8(3) . . . .
Sn3 C31 C32 C33 179.57(17) . . . .
C31 C32 C33 C34 0.6(3) . . . .
C32 C33 C34 C35 1.1(4) . . . .
C32 C33 C34 Cl6 179.96(18) . . . .
C33 C34 C35 C36 -1.5(4) . . . .
Cl6 C34 C35 C36 179.6(2) . . . .
C34 C35 C36 C31 0.3(4) . . . .
C32 C31 C36 C35 1.3(4) . . . .
Sn3 C31 C36 C35 179.99(19) . . . .
