#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:56:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179400 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/97/4329721.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_4329721
loop_
_publ_author_name
'Tibor-Gabor Kocsor'
'Dimitri Matioszek'
'Gabriela Nemeş'
'Annie Castel'
'Jean Escudié'
'Petronela M. Petrar'
'Nathalie Saffon'
'Ionel Haiduc'
_publ_section_title
;
 Chalcogeno[bis(phosphaalkenyl)] Germanium and Tin Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7782
_journal_page_last               7787
_journal_paper_doi               10.1021/ic300810q
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C83 H124 Cl4 P4 S6 Sn2'
_chemical_formula_weight         1817.24
_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                94.8930(10)
_cell_angle_beta                 97.332(2)
_cell_angle_gamma                110.1260(10)
_cell_formula_units_Z            1
_cell_length_a                   12.4775(4)
_cell_length_b                   13.8395(4)
_cell_length_c                   14.3456(4)
_cell_measurement_reflns_used    9162
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      30.62
_cell_measurement_theta_min      3.98
_cell_volume                     2284.64(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0172
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36008
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         5.10
_exptl_absorpt_coefficient_mu    0.910
_exptl_absorpt_correction_T_max  0.7353
_exptl_absorpt_correction_T_min  0.6589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_description       block
_exptl_crystal_F_000             946
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         11261
_refine_ls_number_restraints     141
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+1.5513P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0636
_reflns_number_gt                10477
_reflns_number_total             11261
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300810q_si_001_2.cif
_cod_data_source_block           3
_cod_database_code               4329721
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
Sn1 Sn 0.581733(9) 0.605115(7) 0.570095(7) 0.02072(4) Uani 1 1 d . . .
S1 S 0.38126(3) 0.49606(3) 0.55958(3) 0.02604(8) Uani 1 1 d . . .
C1 C 0.59475(14) 0.75411(12) 0.53148(12) 0.0265(3) Uani 1 1 d . . .
Cl1 Cl 0.47768(4) 0.77239(4) 0.46786(4) 0.03928(10) Uani 1 1 d . . .
P1 P 0.72666(4) 0.84240(3) 0.54984(3) 0.02537(8) Uani 1 1 d . . .
S2 S 0.85161(4) 0.80066(4) 0.59969(4) 0.04004(11) Uani 1 1 d . . .
C2 C 0.68401(14) 0.59287(12) 0.69724(11) 0.0245(3) Uani 1 1 d . . .
Cl2 Cl 0.79547(4) 0.54786(4) 0.69015(3) 0.03549(9) Uani 1 1 d . . .
P2 P 0.64474(4) 0.62304(3) 0.79809(3) 0.02602(8) Uani 1 1 d . . .
S3 S 0.52876(5) 0.68693(4) 0.78967(4) 0.04141(11) Uani 1 1 d . . .
C3 C 0.75060(15) 0.96966(12) 0.51597(12) 0.0261(3) Uani 1 1 d . . .
C4 C 0.74088(15) 1.04911(12) 0.58097(12) 0.0271(3) Uani 1 1 d . . .
C5 C 0.77051(16) 1.14843(13) 0.55452(13) 0.0307(3) Uani 1 1 d . . .
H5 H 0.7648 1.2023 0.5970 0.037 Uiso 1 1 calc R . .
C6 C 0.80762(15) 1.17269(13) 0.46992(14) 0.0312(4) Uani 1 1 d . . .
C7 C 0.81595(17) 1.09360(14) 0.40912(13) 0.0339(4) Uani 1 1 d . . .
H7 H 0.8420 1.1098 0.3510 0.041 Uiso 1 1 calc R . .
C8 C 0.78838(16) 0.99137(13) 0.42798(12) 0.0296(3) Uani 1 1 d . A .
C9 C 0.6984(2) 1.03539(14) 0.67793(14) 0.0373(4) Uani 1 1 d . . .
C10 C 0.5676(2) 0.9728(2) 0.6620(2) 0.0603(7) Uani 1 1 d . . .
H10A H 0.5531 0.9004 0.6371 0.090 Uiso 1 1 calc R . .
H10B H 0.5273 1.0028 0.6163 0.090 Uiso 1 1 calc R . .
H10C H 0.5389 0.9753 0.7223 0.090 Uiso 1 1 calc R . .
C11 C 0.7630(3) 0.9825(2) 0.74124(16) 0.0568(6) Uani 1 1 d . . .
H11A H 0.8465 1.0159 0.7429 0.085 Uiso 1 1 calc R . .
H11B H 0.7383 0.9088 0.7157 0.085 Uiso 1 1 calc R . .
H11C H 0.7455 0.9889 0.8057 0.085 Uiso 1 1 calc R . .
C12 C 0.7144(4) 1.13933(19) 0.73480(19) 0.0748(10) Uani 1 1 d . . .
H12A H 0.6864 1.1272 0.7951 0.112 Uiso 1 1 calc R . .
H12B H 0.6704 1.1743 0.6984 0.112 Uiso 1 1 calc R . .
H12C H 0.7967 1.1832 0.7474 0.112 Uiso 1 1 calc R . .
C13 C 0.83264(18) 1.28205(15) 0.44109(16) 0.0404(4) Uani 1 1 d . . .
C14 C 0.8360(2) 1.36202(15) 0.52185(19) 0.0487(5) Uani 1 1 d . . .
H14A H 0.8950 1.3651 0.5753 0.073 Uiso 1 1 calc R . .
H14B H 0.7601 1.3422 0.5421 0.073 Uiso 1 1 calc R . .
H14C H 0.8549 1.4303 0.5003 0.073 Uiso 1 1 calc R . .
C15 C 0.9464(2) 1.31804(19) 0.4030(2) 0.0625(8) Uani 1 1 d . . .
H15A H 0.9620 1.3881 0.3861 0.094 Uiso 1 1 calc R . .
H15B H 0.9411 1.2703 0.3466 0.094 Uiso 1 1 calc R . .
H15C H 1.0094 1.3188 0.4518 0.094 Uiso 1 1 calc R . .
C16 C 0.7343(2) 1.2759(2) 0.36035(19) 0.0518(6) Uani 1 1 d . . .
H16A H 0.6597 1.2496 0.3823 0.078 Uiso 1 1 calc R . .
H16B H 0.7341 1.2288 0.3052 0.078 Uiso 1 1 calc R . .
H16C H 0.7470 1.3452 0.3425 0.078 Uiso 1 1 calc R . .
C17 C 0.8066(2) 0.91496(15) 0.35093(15) 0.0445(5) Uani 1 1 d DU . .
C18 C 0.9326(5) 0.9104(5) 0.3848(5) 0.0542(14) Uani 0.606(11) 1 d PDU A 1
H18A H 0.9498 0.8658 0.3365 0.081 Uiso 0.606(11) 1 calc PR A 1
H18B H 0.9337 0.8819 0.4450 0.081 Uiso 0.606(11) 1 calc PR A 1
H18C H 0.9911 0.9806 0.3933 0.081 Uiso 0.606(11) 1 calc PR A 1
C19 C 0.8199(11) 0.9586(6) 0.2559(4) 0.088(3) Uani 0.606(11) 1 d PDU A 1
H19A H 0.8893 1.0216 0.2651 0.132 Uiso 0.606(11) 1 calc PR A 1
H19B H 0.7517 0.9753 0.2334 0.132 Uiso 0.606(11) 1 calc PR A 1
H19C H 0.8271 0.9065 0.2088 0.132 Uiso 0.606(11) 1 calc PR A 1
C20 C 0.7228(9) 0.8055(7) 0.3345(9) 0.075(3) Uani 0.606(11) 1 d PDU A 1
H20A H 0.7282 0.7708 0.2737 0.112 Uiso 0.606(11) 1 calc PR A 1
H20B H 0.6440 0.8053 0.3332 0.112 Uiso 0.606(11) 1 calc PR A 1
H20C H 0.7413 0.7684 0.3858 0.112 Uiso 0.606(11) 1 calc PR A 1
C18' C 0.9272(9) 0.9332(10) 0.3480(11) 0.086(3) Uani 0.394(11) 1 d PDU A 2
H18D H 0.9444 0.8718 0.3632 0.129 Uiso 0.394(11) 1 calc PR A 2
H18E H 0.9757 0.9934 0.3945 0.129 Uiso 0.394(11) 1 calc PR A 2
H18F H 0.9434 0.9467 0.2843 0.129 Uiso 0.394(11) 1 calc PR A 2
C19' C 0.7335(16) 0.9290(8) 0.2532(6) 0.092(3) Uani 0.394(11) 1 d PDU A 2
H19D H 0.7687 0.9999 0.2387 0.139 Uiso 0.394(11) 1 calc PR A 2
H19E H 0.6532 0.9163 0.2615 0.139 Uiso 0.394(11) 1 calc PR A 2
H19F H 0.7346 0.8793 0.2008 0.139 Uiso 0.394(11) 1 calc PR A 2
C20' C 0.7378(11) 0.7987(7) 0.3517(10) 0.0365(18) Uani 0.394(11) 1 d PDU A 2
H20D H 0.7403 0.7585 0.2929 0.055 Uiso 0.394(11) 1 calc PR A 2
H20E H 0.6572 0.7888 0.3566 0.055 Uiso 0.394(11) 1 calc PR A 2
H20F H 0.7723 0.7749 0.4062 0.055 Uiso 0.394(11) 1 calc PR A 2
C21 C 0.71480(15) 0.59347(13) 0.90527(11) 0.0259(3) Uani 1 1 d . . .
C22 C 0.67133(15) 0.49093(13) 0.92925(12) 0.0268(3) Uani 1 1 d . . .
C23 C 0.73349(16) 0.46889(13) 1.00731(13) 0.0311(3) Uani 1 1 d . . .
H23 H 0.7065 0.4003 1.0232 0.037 Uiso 1 1 calc R . .
C24 C 0.83194(16) 0.54097(14) 1.06276(13) 0.0319(4) Uani 1 1 d . B .
C25 C 0.86935(17) 0.64013(14) 1.03913(13) 0.0337(4) Uani 1 1 d . . .
H25 H 0.9358 0.6908 1.0777 0.040 Uiso 1 1 calc R . .
C26 C 0.81531(16) 0.67036(13) 0.96189(12) 0.0300(3) Uani 1 1 d . . .
C27 C 0.56260(16) 0.39937(13) 0.87566(12) 0.0312(4) Uani 1 1 d . . .
C28 C 0.45770(18) 0.43122(18) 0.8495(2) 0.0536(6) Uani 1 1 d . . .
H28A H 0.4677 0.4691 0.7947 0.080 Uiso 1 1 calc R . .
H28B H 0.4509 0.4760 0.9035 0.080 Uiso 1 1 calc R . .
H28C H 0.3873 0.3689 0.8337 0.080 Uiso 1 1 calc R . .
C29 C 0.5919(2) 0.35289(16) 0.78621(17) 0.0472(5) Uani 1 1 d . . .
H29A H 0.5295 0.2868 0.7600 0.071 Uiso 1 1 calc R . .
H29B H 0.6646 0.3409 0.8021 0.071 Uiso 1 1 calc R . .
H29C H 0.6003 0.4012 0.7391 0.071 Uiso 1 1 calc R . .
C30 C 0.5241(3) 0.3118(2) 0.93668(19) 0.0703(9) Uani 1 1 d . . .
H30A H 0.5074 0.3391 0.9962 0.106 Uiso 1 1 calc R . .
H30B H 0.5860 0.2841 0.9506 0.106 Uiso 1 1 calc R . .
H30C H 0.4542 0.2562 0.9022 0.106 Uiso 1 1 calc R . .
C31 C 0.8951(2) 0.51413(17) 1.15006(15) 0.0439(5) Uani 1 1 d DU . .
C32 C 0.901(2) 0.4080(12) 1.1273(14) 0.079(5) Uani 0.40(3) 1 d PDU B 1
H32A H 0.9439 0.3920 1.1822 0.118 Uiso 0.40(3) 1 calc PR B 1
H32B H 0.9401 0.4068 1.0725 0.118 Uiso 0.40(3) 1 calc PR B 1
H32C H 0.8222 0.3560 1.1125 0.118 Uiso 0.40(3) 1 calc PR B 1
C33 C 0.8234(15) 0.5176(19) 1.2286(10) 0.074(4) Uani 0.40(3) 1 d PDU B 1
H33A H 0.8599 0.5018 1.2871 0.110 Uiso 0.40(3) 1 calc PR B 1
H33B H 0.7449 0.4661 1.2091 0.110 Uiso 0.40(3) 1 calc PR B 1
H33C H 0.8195 0.5870 1.2399 0.110 Uiso 0.40(3) 1 calc PR B 1
C34 C 1.0179(12) 0.5934(15) 1.1865(14) 0.082(5) Uani 0.40(3) 1 d PDU B 1
H34A H 1.0151 0.6634 1.1959 0.124 Uiso 0.40(3) 1 calc PR B 1
H34B H 1.0681 0.5903 1.1400 0.124 Uiso 0.40(3) 1 calc PR B 1
H34C H 1.0487 0.5769 1.2470 0.124 Uiso 0.40(3) 1 calc PR B 1
C32' C 0.8650(14) 0.3968(6) 1.1476(10) 0.074(3) Uani 0.60(3) 1 d PDU B 2
H32D H 0.9111 0.3836 1.2022 0.111 Uiso 0.60(3) 1 calc PR B 2
H32E H 0.8822 0.3684 1.0888 0.111 Uiso 0.60(3) 1 calc PR B 2
H32F H 0.7825 0.3635 1.1502 0.111 Uiso 0.60(3) 1 calc PR B 2
C33' C 0.8629(14) 0.5550(12) 1.2391(7) 0.081(3) Uani 0.60(3) 1 d PDU B 2
H33D H 0.8906 0.6310 1.2462 0.122 Uiso 0.60(3) 1 calc PR B 2
H33E H 0.8987 0.5330 1.2942 0.122 Uiso 0.60(3) 1 calc PR B 2
H33F H 0.7785 0.5274 1.2348 0.122 Uiso 0.60(3) 1 calc PR B 2
C34' C 1.0257(6) 0.5617(10) 1.1504(11) 0.079(3) Uani 0.60(3) 1 d PDU B 2
H34D H 1.0485 0.6369 1.1501 0.118 Uiso 0.60(3) 1 calc PR B 2
H34E H 1.0447 0.5305 1.0938 0.118 Uiso 0.60(3) 1 calc PR B 2
H34F H 1.0675 0.5482 1.2074 0.118 Uiso 0.60(3) 1 calc PR B 2
C35 C 0.86919(19) 0.78567(14) 0.94747(14) 0.0404(5) Uani 1 1 d . . .
C36 C 0.9812(3) 0.84488(19) 1.0184(2) 0.0814(11) Uani 1 1 d . . .
H36A H 1.0389 0.8131 1.0096 0.122 Uiso 1 1 calc R . .
H36B H 0.9647 0.8417 1.0833 0.122 Uiso 1 1 calc R . .
H36C H 1.0113 0.9176 1.0074 0.122 Uiso 1 1 calc R . .
C37 C 0.7851(3) 0.84175(19) 0.9663(2) 0.0715(8) Uani 1 1 d . . .
H37A H 0.8220 0.9159 0.9624 0.107 Uiso 1 1 calc R . .
H37B H 0.7654 0.8328 1.0298 0.107 Uiso 1 1 calc R . .
H37C H 0.7145 0.8122 0.9188 0.107 Uiso 1 1 calc R . .
C38 C 0.8999(3) 0.7986(2) 0.8488(2) 0.0707(9) Uani 1 1 d . . .
H38A H 0.9485 0.7584 0.8353 0.106 Uiso 1 1 calc R . .
H38B H 0.9422 0.8722 0.8459 0.106 Uiso 1 1 calc R . .
H38C H 0.8288 0.7737 0.8017 0.106 Uiso 1 1 calc R . .
C39 C 0.6483(18) 1.105(2) 1.0631(17) 0.166(6) Uani 0.50 1 d PDU C -1
H39A H 0.7043 1.0695 1.0722 0.249 Uiso 0.50 1 calc PR C -1
H39B H 0.6412 1.1358 1.1248 0.249 Uiso 0.50 1 calc PR C -1
H39C H 0.6750 1.1590 1.0230 0.249 Uiso 0.50 1 calc PR C -1
C40 C 0.5420(9) 1.0333(7) 1.0198(7) 0.108(2) Uani 0.50 1 d PDU C -1
C41 C 0.5331(17) 0.9483(17) 0.9505(16) 0.103(3) Uani 0.50 1 d PDU C -1
H41 H 0.6000 0.9360 0.9363 0.124 Uiso 0.50 1 calc PR C -1
C42 C 0.4231(11) 0.8849(8) 0.9051(7) 0.110(2) Uani 0.50 1 d PDU C -1
H42 H 0.4189 0.8313 0.8572 0.132 Uiso 0.50 1 calc PR C -1
C43 C 0.3233(17) 0.8910(15) 0.9214(13) 0.119(3) Uani 0.50 1 d PDU C -1
H43 H 0.2499 0.8448 0.8889 0.143 Uiso 0.50 1 calc PR C -1
C44 C 0.3370(10) 0.9688(8) 0.9882(7) 0.110(2) Uani 0.50 1 d PDU C -1
H44 H 0.2678 0.9768 1.0021 0.132 Uiso 0.50 1 calc PR C -1
C45 C 0.4363(16) 1.0380(17) 1.0389(17) 0.102(3) Uani 0.50 1 d PDU C -1
H45 H 0.4348 1.0891 1.0867 0.123 Uiso 0.50 1 calc PR C -1
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C1 Sn1 C2 120.49(6) . .
C1 Sn1 S1 110.35(5) . .
C2 Sn1 S1 111.02(4) . .
C1 Sn1 S1 109.17(5) . 2_666
C2 Sn1 S1 107.26(4) . 2_666
S1 Sn1 S1 95.592(13) . 2_666
C1 Sn1 Sn1 120.21(5) . 2_666
C2 Sn1 Sn1 119.20(4) . 2_666
S1 Sn1 Sn1 47.877(10) . 2_666
S1 Sn1 Sn1 47.715(10) 2_666 2_666
Sn1 S1 Sn1 84.409(13) . 2_666
P1 C1 Cl1 122.58(9) . .
P1 C1 Sn1 115.65(9) . .
Cl1 C1 Sn1 120.96(9) . .
C1 P1 C3 120.20(8) . .
C1 P1 S2 117.39(6) . .
C3 P1 S2 122.28(6) . .
P2 C2 Cl2 123.74(10) . .
P2 C2 Sn1 116.26(8) . .
Cl2 C2 Sn1 119.93(9) . .
C2 P2 C21 116.96(8) . .
C2 P2 S3 116.29(6) . .
C21 P2 S3 126.75(6) . .
C8 C3 C4 121.15(14) . .
C8 C3 P1 119.07(12) . .
C4 C3 P1 119.57(12) . .
C5 C4 C3 117.08(15) . .
C5 C4 C9 116.59(15) . .
C3 C4 C9 126.32(14) . .
C6 C5 C4 123.55(16) . .
C5 C6 C7 117.52(15) . .
C5 C6 C13 121.73(17) . .
C7 C6 C13 120.67(17) . .
C6 C7 C8 123.93(17) . .
C7 C8 C3 116.78(16) . .
C7 C8 C17 115.62(16) . .
C3 C8 C17 127.57(15) . .
C12 C9 C11 106.6(2) . .
C12 C9 C10 105.5(2) . .
C11 C9 C10 109.7(2) . .
C12 C9 C4 112.09(16) . .
C11 C9 C4 112.61(17) . .
C10 C9 C4 110.06(18) . .
C14 C13 C15 109.6(2) . .
C14 C13 C6 112.99(17) . .
C15 C13 C6 110.31(16) . .
C14 C13 C16 107.66(18) . .
C15 C13 C16 108.0(2) . .
C6 C13 C16 108.11(17) . .
C18' C17 C20 118.5(7) . .
C18' C17 C19 79.0(6) . .
C20 C17 C19 110.4(6) . .
C18' C17 C20' 111.1(7) . .
C19 C17 C20' 120.2(6) . .
C18' C17 C8 113.1(5) . .
C20 C17 C8 117.1(5) . .
C19 C17 C8 112.4(3) . .
C20' C17 C8 115.6(5) . .
C20 C17 C18 106.7(5) . .
C19 C17 C18 102.3(4) . .
C20' C17 C18 96.3(6) . .
C8 C17 C18 106.5(3) . .
C18' C17 C19' 114.8(7) . .
C20 C17 C19' 85.5(6) . .
C20' C17 C19' 97.7(7) . .
C8 C17 C19' 103.5(5) . .
C18 C17 C19' 137.1(6) . .
C22 C21 C26 120.49(14) . .
C22 C21 P2 118.92(12) . .
C26 C21 P2 120.52(12) . .
C23 C22 C21 117.16(15) . .
C23 C22 C27 116.22(15) . .
C21 C22 C27 126.60(15) . .
C24 C23 C22 123.81(16) . .
C25 C24 C23 117.36(16) . .
C25 C24 C31 120.63(17) . .
C23 C24 C31 121.95(16) . .
C24 C25 C26 123.73(16) . .
C25 C26 C21 117.40(15) . .
C25 C26 C35 116.22(15) . .
C21 C26 C35 126.36(15) . .
C29 C27 C28 109.83(18) . .
C29 C27 C30 106.8(2) . .
C28 C27 C30 106.2(2) . .
C29 C27 C22 109.61(15) . .
C28 C27 C22 113.11(15) . .
C30 C27 C22 111.10(16) . .
C32 C31 C33' 126.3(10) . .
C33' C31 C32' 108.3(6) . .
C32 C31 C34' 89.0(10) . .
C33' C31 C34' 111.3(5) . .
C32' C31 C34' 106.7(6) . .
C32 C31 C33 111.9(9) . .
C32' C31 C33 91.7(9) . .
C34' C31 C33 131.0(7) . .
C32 C31 C24 109.4(8) . .
C33' C31 C24 109.8(5) . .
C32' C31 C24 112.3(6) . .
C34' C31 C24 108.4(4) . .
C33 C31 C24 105.3(6) . .
C32 C31 C34 109.4(10) . .
C33' C31 C34 86.1(8) . .
C32' C31 C34 122.6(10) . .
C33 C31 C34 106.9(8) . .
C24 C31 C34 113.9(6) . .
C38 C35 C36 106.5(2) . .
C38 C35 C37 109.8(2) . .
C36 C35 C37 105.4(2) . .
C38 C35 C26 112.79(18) . .
C36 C35 C26 112.36(16) . .
C37 C35 C26 109.60(19) . .
C39 C40 C45 123.5(13) . .
C39 C40 C41 121.2(13) . .
C45 C40 C41 115.3(15) . .
C42 C41 C40 117.5(11) . .
C43 C42 C41 127.0(12) . .
C42 C43 C44 112.7(16) . .
C43 C44 C45 128.4(13) . .
C44 C45 C40 119.0(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C1 2.1384(15) .
Sn1 C2 2.1428(16) .
Sn1 S1 2.4134(4) .
Sn1 S1 2.4196(4) 2_666
Sn1 Sn1 3.2467(2) 2_666
S1 Sn1 2.4196(4) 2_666
C1 P1 1.6497(17) .
C1 Cl1 1.7275(17) .
P1 C3 1.8023(16) .
P1 S2 1.9187(6) .
C2 P2 1.6512(17) .
C2 Cl2 1.7188(17) .
P2 C21 1.8183(16) .
P2 S3 1.9350(6) .
C3 C8 1.423(2) .
C3 C4 1.428(2) .
C4 C5 1.395(2) .
C4 C9 1.554(2) .
C5 C6 1.381(3) .
C6 C7 1.381(3) .
C6 C13 1.541(2) .
C7 C8 1.396(2) .
C8 C17 1.556(3) .
C9 C12 1.528(3) .
C9 C11 1.531(3) .
C9 C10 1.538(4) .
C13 C14 1.519(3) .
C13 C15 1.523(3) .
C13 C16 1.550(3) .
C17 C18' 1.445(10) .
C17 C20 1.493(8) .
C17 C19 1.543(5) .
C17 C20' 1.543(9) .
C17 C18 1.610(6) .
C17 C19' 1.637(9) .
C21 C22 1.424(2) .
C21 C26 1.428(2) .
C22 C23 1.396(2) .
C22 C27 1.556(2) .
C23 C24 1.382(3) .
C24 C25 1.377(2) .
C24 C31 1.535(2) .
C25 C26 1.393(2) .
C26 C35 1.548(2) .
C27 C29 1.528(3) .
C27 C28 1.532(3) .
C27 C30 1.535(3) .
C31 C32 1.505(11) .
C31 C33' 1.509(8) .
C31 C32' 1.531(7) .
C31 C34' 1.533(7) .
C31 C33 1.533(10) .
C31 C34 1.538(10) .
C35 C38 1.522(3) .
C35 C36 1.538(3) .
C35 C37 1.540(4) .
C39 C40 1.38(2) .
C40 C45 1.402(15) .
C40 C41 1.439(15) .
C41 C42 1.39(2) .
C42 C43 1.326(16) .
C43 C44 1.327(16) .
C44 C45 1.35(2) .
