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#$Date: 2022-04-26 10:36:33 +0300 (Tue, 26 Apr 2022) $
#$Revision: 274674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/50/8105060.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_8105060
loop_
_publ_author_name
'Lee, See Mun'
'Lo, Kong Mun'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of
 chlorido-diphenyl-(isopropyl(propyl)carbamodithioato-κ2S,S′)tin(IV),
 C19H24ClNS2Sn
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              211
_journal_page_last               214
_journal_paper_doi               10.1515/ncrs-2019-0578
_journal_volume                  235
_journal_year                    2019
_chemical_formula_moiety         'C19 H24 Cl N S2 Sn '
_chemical_formula_sum            'C19 H24 Cl N S2 Sn'
_chemical_formula_weight         484.67
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                91.0700(10)
_cell_angle_beta                 96.9970(10)
_cell_angle_gamma                98.2220(10)
_cell_formula_units_Z            4
_cell_length_a                   10.18940(10)
_cell_length_b                   14.0236(2)
_cell_length_c                   14.5114(2)
_cell_measurement_reflns_used    35403
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.4010
_cell_measurement_theta_min      3.0660
_cell_volume                     2035.59(5)
_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  0.0338
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            48998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.075
_diffrn_reflns_theta_max         67.075
_diffrn_reflns_theta_min         3.070
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    13.102
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro [1]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.061
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         7265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0339P)²+1.2536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0556
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7034
_reflns_number_total             7265
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0578_suppl.cif
_cod_data_source_block           shelx
_cod_original_formula_sum        'C19 H24 Cl N S2 Sn '
_cod_database_code               8105060
_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   0.225
_shelx_estimated_absorpt_t_max   0.502
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
Sn1 Sn 0.29681(2) 0.50913(2) 0.20104(2) 0.01305(5) Uani 1 1 d . . . . .
Cl1 Cl 0.20862(5) 0.58071(4) 0.05728(3) 0.01851(11) Uani 1 1 d . . . . .
S1 S 0.51360(5) 0.54532(4) 0.14276(4) 0.01681(11) Uani 1 1 d . . . . .
S2 S 0.48866(5) 0.44108(4) 0.31606(4) 0.01597(11) Uani 1 1 d . . . . .
N1 N 0.72222(16) 0.49820(12) 0.25025(12) 0.0135(3) Uani 1 1 d . . . . .
C1 C 0.59125(19) 0.49484(14) 0.24007(15) 0.0137(4) Uani 1 1 d . . . . .
C2 C 0.80146(19) 0.54385(15) 0.17977(15) 0.0158(4) Uani 1 1 d . . . . .
H2A H 0.751369 0.528051 0.117246 0.019 Uiso 1 1 calc R U . . .
H2B H 0.886377 0.516830 0.182353 0.019 Uiso 1 1 calc R U . . .
C3 C 0.8326(2) 0.65321(16) 0.19414(16) 0.0186(4) Uani 1 1 d . . . . .
H3A H 0.749904 0.679685 0.203196 0.022 Uiso 1 1 calc R U . . .
H3B H 0.897730 0.669757 0.250525 0.022 Uiso 1 1 calc R U . . .
C4 C 0.8902(2) 0.69760(17) 0.11006(17) 0.0232(5) Uani 1 1 d . . . . .
H4A H 0.967137 0.666869 0.097754 0.035 Uiso 1 1 calc R U . . .
H4B H 0.918710 0.766856 0.122525 0.035 Uiso 1 1 calc R U . . .
H4C H 0.821735 0.687643 0.055785 0.035 Uiso 1 1 calc R U . . .
C5 C 0.7909(2) 0.44837(15) 0.32799(15) 0.0164(4) Uani 1 1 d . . . . .
H5 H 0.735014 0.445690 0.380232 0.020 Uiso 1 1 calc R U . . .
C6 C 0.7961(2) 0.34522(17) 0.29588(17) 0.0227(5) Uani 1 1 d . . . . .
H6A H 0.704979 0.312152 0.277237 0.034 Uiso 1 1 calc R U . . .
H6B H 0.839271 0.311320 0.346844 0.034 Uiso 1 1 calc R U . . .
H6C H 0.847242 0.345735 0.242888 0.034 Uiso 1 1 calc R U . . .
C7 C 0.9288(2) 0.50159(19) 0.36431(17) 0.0257(5) Uani 1 1 d . . . . .
H7A H 0.988322 0.499751 0.316327 0.039 Uiso 1 1 calc R U . . .
H7B H 0.964951 0.470538 0.419793 0.039 Uiso 1 1 calc R U . . .
H7C H 0.921900 0.568770 0.380212 0.039 Uiso 1 1 calc R U . . .
C8 C 0.16850(19) 0.37313(15) 0.18152(15) 0.0146(4) Uani 1 1 d . . . . .
C9 C 0.0589(2) 0.36164(16) 0.11294(15) 0.0173(4) Uani 1 1 d . . . . .
H9 H 0.043024 0.413287 0.073630 0.021 Uiso 1 1 calc R U . . .
C10 C -0.0277(2) 0.27468(17) 0.10167(16) 0.0209(5) Uani 1 1 d . . . . .
H10 H -0.101443 0.266933 0.053980 0.025 Uiso 1 1 calc R U . . .
C11 C -0.0069(2) 0.19963(16) 0.15952(16) 0.0203(5) Uani 1 1 d . . . . .
H11 H -0.066588 0.140654 0.152002 0.024 Uiso 1 1 calc R U . . .
C12 C 0.1018(2) 0.21081(16) 0.22874(17) 0.0212(5) Uani 1 1 d . . . . .
H12 H 0.116048 0.159600 0.268970 0.025 Uiso 1 1 calc R U . . .
C13 C 0.1896(2) 0.29704(16) 0.23909(16) 0.0191(4) Uani 1 1 d . . . . .
H13 H 0.264544 0.304041 0.285818 0.023 Uiso 1 1 calc R U . . .
C14 C 0.25981(19) 0.61706(15) 0.29714(15) 0.0157(4) Uani 1 1 d . . . . .
C15 C 0.1999(2) 0.69557(16) 0.26487(17) 0.0213(5) Uani 1 1 d . . . . .
H15 H 0.178060 0.702168 0.199991 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1719(2) 0.76427(17) 0.32719(18) 0.0252(5) Uani 1 1 d . . . . .
H16 H 0.129483 0.816824 0.304647 0.030 Uiso 1 1 calc R U . . .
C17 C 0.2054(2) 0.75657(17) 0.42163(18) 0.0249(5) Uani 1 1 d . . . . .
H17 H 0.186454 0.803622 0.464100 0.030 Uiso 1 1 calc R U . . .
C18 C 0.2669(2) 0.67945(18) 0.45377(17) 0.0265(5) Uani 1 1 d . . . . .
H18 H 0.291197 0.674272 0.518589 0.032 Uiso 1 1 calc R U . . .
C19 C 0.2932(2) 0.60985(16) 0.39238(16) 0.0211(5) Uani 1 1 d . . . . .
H19 H 0.334301 0.556901 0.415427 0.025 Uiso 1 1 calc R U . . .
Sn2 Sn 0.29554(2) 0.07307(2) 0.68663(2) 0.01405(5) Uani 1 1 d . . . . .
Cl2 Cl 0.09550(5) -0.04057(4) 0.62779(4) 0.02780(13) Uani 1 1 d . . . . .
S3 S 0.21280(5) 0.05799(4) 0.83896(4) 0.01713(11) Uani 1 1 d . . . . .
S4 S 0.47280(5) 0.17403(4) 0.81987(3) 0.01521(10) Uani 1 1 d . . . . .
N2 N 0.37993(17) 0.13865(13) 0.98338(12) 0.0157(4) Uani 1 1 d . . . . .
C20 C 0.36089(19) 0.12676(14) 0.89191(15) 0.0142(4) Uani 1 1 d . . . . .
C21 C 0.2754(2) 0.10127(16) 1.04139(15) 0.0188(4) Uani 1 1 d . . . . .
H21A H 0.187042 0.110172 1.008808 0.023 Uiso 1 1 calc R U . . .
H21B H 0.289763 0.139921 1.100485 0.023 Uiso 1 1 calc R U . . .
C22 C 0.2729(2) -0.00537(18) 1.06352(17) 0.0261(5) Uani 1 1 d . . . . .
H22A H 0.262791 -0.044303 1.004799 0.031 Uiso 1 1 calc R U . . .
H22B H 0.358837 -0.014245 1.099730 0.031 Uiso 1 1 calc R U . . .
C23 C 0.1592(3) -0.0408(2) 1.1184(2) 0.0409(7) Uani 1 1 d . . . . .
H23A H 0.169768 -0.003012 1.177081 0.061 Uiso 1 1 calc R U . . .
H23B H 0.160405 -0.108958 1.131519 0.061 Uiso 1 1 calc R U . . .
H23C H 0.073857 -0.033189 1.082226 0.061 Uiso 1 1 calc R U . . .
C24 C 0.5044(2) 0.19648(17) 1.03192(16) 0.0204(5) Uani 1 1 d . . . . .
H24 H 0.571350 0.205541 0.986660 0.025 Uiso 1 1 calc R U . . .
C25 C 0.5638(2) 0.14378(19) 1.11376(18) 0.0295(5) Uani 1 1 d . . . . .
H25A H 0.503758 0.139210 1.161893 0.044 Uiso 1 1 calc R U . . .
H25B H 0.650969 0.179305 1.139168 0.044 Uiso 1 1 calc R U . . .
H25C H 0.574844 0.078838 1.093002 0.044 Uiso 1 1 calc R U . . .
C26 C 0.4775(2) 0.29593(17) 1.06142(17) 0.0255(5) Uani 1 1 d . . . . .
H26A H 0.432365 0.325542 1.008195 0.038 Uiso 1 1 calc R U . . .
H26B H 0.562325 0.336504 1.083751 0.038 Uiso 1 1 calc R U . . .
H26C H 0.420390 0.289737 1.111310 0.038 Uiso 1 1 calc R U . . .
C27 C 0.2554(2) 0.19319(15) 0.60531(14) 0.0146(4) Uani 1 1 d . . . . .
C28 C 0.1354(2) 0.18840(16) 0.54688(16) 0.0193(4) Uani 1 1 d . . . . .
H28 H 0.067778 0.134397 0.548131 0.023 Uiso 1 1 calc R U . . .
C29 C 0.1140(2) 0.26208(18) 0.48688(17) 0.0248(5) Uani 1 1 d . . . . .
H29 H 0.031710 0.258643 0.447554 0.030 Uiso 1 1 calc R U . . .
C30 C 0.2125(2) 0.34059(16) 0.48420(16) 0.0223(5) Uani 1 1 d . . . . .
H30 H 0.197925 0.390870 0.442903 0.027 Uiso 1 1 calc R U . . .
C31 C 0.3323(2) 0.34577(16) 0.54178(17) 0.0223(5) Uani 1 1 d . . . . .
H31 H 0.399977 0.399531 0.539671 0.027 Uiso 1 1 calc R U . . .
C32 C 0.3538(2) 0.27265(16) 0.60262(15) 0.0179(4) Uani 1 1 d . . . . .
H32 H 0.435819 0.276851 0.642449 0.021 Uiso 1 1 calc R U . . .
C33 C 0.4408(2) -0.01222(16) 0.65181(15) 0.0178(4) Uani 1 1 d . . . . .
C34 C 0.4109(3) -0.11193(17) 0.64007(18) 0.0269(5) Uani 1 1 d . . . . .
H34 H 0.323774 -0.143426 0.646799 0.032 Uiso 1 1 calc R U . . .
C35 C 0.5085(3) -0.16546(18) 0.61846(19) 0.0325(6) Uani 1 1 d . . . . .
H35 H 0.488397 -0.233714 0.612151 0.039 Uiso 1 1 calc R U . . .
C36 C 0.6336(3) -0.12066(19) 0.60616(17) 0.0283(5) Uani 1 1 d . . . . .
H36 H 0.699650 -0.157813 0.591201 0.034 Uiso 1 1 calc R U . . .
C37 C 0.6635(3) -0.0215(2) 0.6156(2) 0.0407(7) Uani 1 1 d . . . . .
H37 H 0.749332 0.009961 0.605666 0.049 Uiso 1 1 calc R U . . .
C38 C 0.5668(3) 0.03219(19) 0.6397(2) 0.0360(7) Uani 1 1 d . . . . .
H38 H 0.588175 0.100249 0.647869 0.043 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'
N N 0.0311 0.0180 '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'
Sn Sn 0.0259 5.4591 '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
C14 Sn1 C8 120.63(7) . .
C14 Sn1 S1 113.56(5) . .
C8 Sn1 S1 124.86(5) . .
C14 Sn1 Cl1 97.78(6) . .
C8 Sn1 Cl1 96.95(6) . .
S1 Sn1 Cl1 84.842(17) . .
C14 Sn1 S2 96.00(6) . .
C8 Sn1 S2 94.61(6) . .
S1 Sn1 S2 69.663(16) . .
Cl1 Sn1 S2 154.209(16) . .
C1 S1 Sn1 90.50(7) . .
C1 S2 Sn1 82.87(7) . .
C1 N1 C2 120.18(17) . .
C1 N1 C5 120.56(17) . .
C2 N1 C5 119.03(16) . .
N1 C1 S2 124.21(16) . .
N1 C1 S1 119.06(15) . .
S2 C1 S1 116.73(11) . .
N1 C2 C3 112.53(17) . .
N1 C2 H2A 109.1 . .
C3 C2 H2A 109.1 . .
N1 C2 H2B 109.1 . .
C3 C2 H2B 109.1 . .
H2A C2 H2B 107.8 . .
C4 C3 C2 109.99(19) . .
C4 C3 H3A 109.7 . .
C2 C3 H3A 109.7 . .
C4 C3 H3B 109.7 . .
C2 C3 H3B 109.7 . .
H3A C3 H3B 108.2 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C5 C7 112.66(17) . .
N1 C5 C6 108.72(17) . .
C7 C5 C6 112.05(18) . .
N1 C5 H5 107.7 . .
C7 C5 H5 107.7 . .
C6 C5 H5 107.7 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C13 C8 C9 119.13(19) . .
C13 C8 Sn1 121.06(15) . .
C9 C8 Sn1 119.75(15) . .
C10 C9 C8 120.3(2) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 120.4(2) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 119.7(2) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C13 C12 C11 120.0(2) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C8 C13 C12 120.5(2) . .
C8 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C19 C14 C15 118.8(2) . .
C19 C14 Sn1 121.01(16) . .
C15 C14 Sn1 120.16(16) . .
C16 C15 C14 120.4(2) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C17 C16 C15 120.4(2) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 119.3(2) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
C19 C18 C17 120.7(2) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C18 C19 C14 120.4(2) . .
C18 C19 H19 119.8 . .
C14 C19 H19 119.8 . .
C33 Sn2 C27 120.00(8) . .
C33 Sn2 Cl2 97.65(6) . .
C27 Sn2 Cl2 98.67(6) . .
C33 Sn2 S3 119.88(6) . .
C27 Sn2 S3 118.60(6) . .
Cl2 Sn2 S3 85.842(19) . .
C33 Sn2 S4 91.68(6) . .
C27 Sn2 S4 96.58(6) . .
Cl2 Sn2 S4 154.996(18) . .
S3 Sn2 S4 69.447(16) . .
C20 S3 Sn2 90.27(7) . .
C20 S4 Sn2 83.31(7) . .
C20 N2 C21 121.61(18) . .
C20 N2 C24 121.10(17) . .
C21 N2 C24 117.16(17) . .
N2 C20 S4 124.26(16) . .
N2 C20 S3 118.98(15) . .
S4 C20 S3 116.76(12) . .
N2 C21 C22 113.99(18) . .
N2 C21 H21A 108.8 . .
C22 C21 H21A 108.8 . .
N2 C21 H21B 108.8 . .
C22 C21 H21B 108.8 . .
H21A C21 H21B 107.7 . .
C23 C22 C21 111.5(2) . .
C23 C22 H22A 109.3 . .
C21 C22 H22A 109.3 . .
C23 C22 H22B 109.3 . .
C21 C22 H22B 109.3 . .
H22A C22 H22B 108.0 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N2 C24 C25 111.31(19) . .
N2 C24 C26 110.48(18) . .
C25 C24 C26 111.68(19) . .
N2 C24 H24 107.7 . .
C25 C24 H24 107.7 . .
C26 C24 H24 107.7 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C27 C28 119.25(19) . .
C32 C27 Sn2 120.41(15) . .
C28 C27 Sn2 119.99(15) . .
C27 C28 C29 120.3(2) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C30 C29 C28 120.1(2) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
C29 C30 C31 119.9(2) . .
C29 C30 H30 120.0 . .
C31 C30 H30 120.0 . .
C30 C31 C32 120.3(2) . .
C30 C31 H31 119.9 . .
C32 C31 H31 119.9 . .
C27 C32 C31 120.1(2) . .
C27 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C38 C33 C34 119.1(2) . .
C38 C33 Sn2 119.48(17) . .
C34 C33 Sn2 121.43(17) . .
C33 C34 C35 119.9(2) . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C36 C35 C34 120.6(2) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 119.9(2) . .
C35 C36 H36 120.0 . .
C37 C36 H36 120.0 . .
C36 C37 C38 119.6(3) . .
C36 C37 H37 120.2 . .
C38 C37 H37 120.2 . .
C33 C38 C37 120.9(2) . .
C33 C38 H38 119.6 . .
C37 C38 H38 119.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C14 2.143(2) .
Sn1 C8 2.146(2) .
Sn1 S1 2.4501(5) .
Sn1 Cl1 2.4591(5) .
Sn1 S2 2.7049(5) .
S1 C1 1.745(2) .
S2 C1 1.722(2) .
N1 C1 1.319(3) .
N1 C2 1.478(3) .
N1 C5 1.492(3) .
C2 C3 1.526(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.523(3) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C7 1.521(3) .
C5 C6 1.522(3) .
C5 H5 1.0000 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C13 1.392(3) .
C8 C9 1.391(3) .
C9 C10 1.394(3) .
C9 H9 0.9500 .
C10 C11 1.382(3) .
C10 H10 0.9500 .
C11 C12 1.390(3) .
C11 H11 0.9500 .
C12 C13 1.392(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.392(3) .
C14 C15 1.395(3) .
C15 C16 1.392(3) .
C15 H15 0.9500 .
C16 C17 1.381(4) .
C16 H16 0.9500 .
C17 C18 1.386(4) .
C17 H17 0.9500 .
C18 C19 1.385(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
Sn2 C33 2.131(2) .
Sn2 C27 2.133(2) .
Sn2 Cl2 2.4534(5) .
Sn2 S3 2.4622(5) .
Sn2 S4 2.7058(5) .
S3 C20 1.752(2) .
S4 C20 1.712(2) .
N2 C20 1.322(3) .
N2 C21 1.481(3) .
N2 C24 1.493(3) .
C21 C22 1.533(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.516(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.519(3) .
C24 C26 1.523(3) .
C24 H24 1.0000 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C32 1.393(3) .
C27 C28 1.393(3) .
C28 C29 1.387(3) .
C28 H28 0.9500 .
C29 C30 1.384(3) .
C29 H29 0.9500 .
C30 C31 1.384(3) .
C30 H30 0.9500 .
C31 C32 1.389(3) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.378(3) .
C33 C34 1.391(3) .
C34 C35 1.390(4) .
C34 H34 0.9500 .
C35 C36 1.372(4) .
C35 H35 0.9500 .
C36 C37 1.381(4) .
C36 H36 0.9500 .
C37 C38 1.395(4) .
C37 H37 0.9500 .
C38 H38 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
C2 N1 C1 S2 178.37(15) . . . .
C5 N1 C1 S2 4.0(3) . . . .
C2 N1 C1 S1 -0.2(3) . . . .
C5 N1 C1 S1 -174.62(15) . . . .
Sn1 S2 C1 N1 176.94(19) . . . .
Sn1 S2 C1 S1 -4.42(10) . . . .
Sn1 S1 C1 N1 -176.45(16) . . . .
Sn1 S1 C1 S2 4.85(11) . . . .
C1 N1 C2 C3 82.9(2) . . . .
C5 N1 C2 C3 -102.7(2) . . . .
N1 C2 C3 C4 -169.16(17) . . . .
C1 N1 C5 C7 -146.5(2) . . . .
C2 N1 C5 C7 39.0(3) . . . .
C1 N1 C5 C6 88.6(2) . . . .
C2 N1 C5 C6 -85.8(2) . . . .
C13 C8 C9 C10 -0.6(3) . . . .
Sn1 C8 C9 C10 -177.84(16) . . . .
C8 C9 C10 C11 1.1(3) . . . .
C9 C10 C11 C12 -0.6(3) . . . .
C10 C11 C12 C13 -0.5(3) . . . .
C9 C8 C13 C12 -0.5(3) . . . .
Sn1 C8 C13 C12 176.73(17) . . . .
C11 C12 C13 C8 1.0(3) . . . .
C19 C14 C15 C16 -1.2(3) . . . .
Sn1 C14 C15 C16 178.00(16) . . . .
C14 C15 C16 C17 1.2(3) . . . .
C15 C16 C17 C18 -0.2(3) . . . .
C16 C17 C18 C19 -0.9(3) . . . .
C17 C18 C19 C14 0.9(3) . . . .
C15 C14 C19 C18 0.2(3) . . . .
Sn1 C14 C19 C18 -179.03(16) . . . .
C21 N2 C20 S4 175.91(15) . . . .
C24 N2 C20 S4 0.3(3) . . . .
C21 N2 C20 S3 -4.4(3) . . . .
C24 N2 C20 S3 179.93(15) . . . .
Sn2 S4 C20 N2 175.44(18) . . . .
Sn2 S4 C20 S3 -4.23(10) . . . .
Sn2 S3 C20 N2 -175.07(16) . . . .
Sn2 S3 C20 S4 4.62(11) . . . .
C20 N2 C21 C22 83.3(2) . . . .
C24 N2 C21 C22 -100.9(2) . . . .
N2 C21 C22 C23 -176.9(2) . . . .
C20 N2 C24 C25 -132.8(2) . . . .
C21 N2 C24 C25 51.4(2) . . . .
C20 N2 C24 C26 102.5(2) . . . .
C21 N2 C24 C26 -73.3(2) . . . .
C32 C27 C28 C29 -0.2(3) . . . .
Sn2 C27 C28 C29 -173.46(17) . . . .
C27 C28 C29 C30 0.5(4) . . . .
C28 C29 C30 C31 -0.3(4) . . . .
C29 C30 C31 C32 -0.3(3) . . . .
C28 C27 C32 C31 -0.4(3) . . . .
Sn2 C27 C32 C31 172.86(17) . . . .
C30 C31 C32 C27 0.6(3) . . . .
C38 C33 C34 C35 1.4(4) . . . .
Sn2 C33 C34 C35 -179.23(19) . . . .
C33 C34 C35 C36 -1.7(4) . . . .
C34 C35 C36 C37 0.2(4) . . . .
C35 C36 C37 C38 1.5(5) . . . .
C34 C33 C38 C37 0.3(4) . . . .
Sn2 C33 C38 C37 -179.1(2) . . . .
C36 C37 C38 C33 -1.8(5) . . . .
