#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:37:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180270 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/56/7115671.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_7115671
loop_
_publ_author_name
'Jens P. Eussner'
'Stefanie Dehnen'
_publ_section_title
;
 Bronze, silver and gold: functionalized group 11 organotin sulfide
 clusters
;
_journal_name_full               Chem.Commun.
_journal_page_first              11385
_journal_paper_doi               10.1039/C4cc05666C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C60 H74 Cl2 Cu2 O4 P2 S8 Sn6, 4(C H2 Cl2)'
_chemical_formula_sum            'C64 H82 Cl10 Cu2 O4 P2 S8 Sn6'
_chemical_formula_weight         2427.44
_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                115.138(3)
_cell_angle_beta                 101.519(4)
_cell_angle_gamma                101.370(3)
_cell_formula_units_Z            1
_cell_length_a                   12.6985(5)
_cell_length_b                   13.1259(5)
_cell_length_c                   15.4384(8)
_cell_measurement_reflns_used    25944
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      1.54
_cell_volume                     2164.23(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  IPDS2T
_diffrn_measurement_method       /w
_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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19199
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    2.763
_exptl_absorpt_correction_T_max  0.706
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XPREP in SHELXTL (Bruker, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.040
_refine_diff_density_min         -1.256
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9141
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                7723
_reflns_number_total             9141
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc05666c2.cif
_cod_data_source_block           Compound1
_cod_original_cell_volume        2164.22(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7115671
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
C1 C 0.2190(3) 0.2806(3) 0.2025(2) 0.0192(6) Uani 1 1 d .
C2 C 0.2441(3) 0.2288(4) 0.2729(3) 0.0294(8) Uani 1 1 d .
H2A H 0.2036 0.1433 0.2367 0.044 Uiso 1 1 calc R
H2B H 0.2191 0.2674 0.3313 0.044 Uiso 1 1 calc R
H2C H 0.3258 0.2423 0.2959 0.044 Uiso 1 1 calc R
C3 C 0.2881(3) 0.4112(3) 0.2531(3) 0.0269(8) Uani 1 1 d .
H3A H 0.2704 0.4424 0.2063 0.040 Uiso 1 1 calc R
H3B H 0.3691 0.4199 0.2713 0.040 Uiso 1 1 calc R
H3C H 0.2694 0.4556 0.3141 0.040 Uiso 1 1 calc R
C4 C 0.0931(3) 0.2627(3) 0.1668(2) 0.0220(7) Uani 1 1 d .
H4A H 0.0502 0.1825 0.1523 0.026 Uiso 1 1 calc R
H4B H 0.0737 0.3213 0.2220 0.026 Uiso 1 1 calc R
C5 C 0.0561(3) 0.2754(3) 0.0741(2) 0.0215(7) Uani 1 1 d .
C6 C -0.0415(3) 0.3198(4) 0.0619(3) 0.0289(8) Uani 1 1 d .
H6A H -0.0653 0.3104 -0.0062 0.043 Uiso 1 1 calc R
H6B H -0.0192 0.4040 0.1119 0.043 Uiso 1 1 calc R
H6C H -0.1045 0.2745 0.0720 0.043 Uiso 1 1 calc R
C7 C 0.6432(3) 0.4747(3) 0.1917(2) 0.0208(7) Uani 1 1 d .
C8 C 0.6842(3) 0.4839(3) 0.2963(2) 0.0266(7) Uani 1 1 d .
H8A H 0.7317 0.4330 0.2942 0.040 Uiso 1 1 calc R
H8B H 0.6185 0.4583 0.3150 0.040 Uiso 1 1 calc R
H8C H 0.7284 0.5664 0.3464 0.040 Uiso 1 1 calc R
C9 C 0.5705(3) 0.5548(3) 0.1928(3) 0.0251(7) Uani 1 1 d .
H9A H 0.5462 0.5484 0.1258 0.038 Uiso 1 1 calc R
H9B H 0.6149 0.6373 0.2427 0.038 Uiso 1 1 calc R
H9C H 0.5037 0.5302 0.2106 0.038 Uiso 1 1 calc R
C10 C 0.7429(3) 0.5038(3) 0.1561(3) 0.0266(7) Uani 1 1 d .
H10A H 0.7817 0.5906 0.1947 0.032 Uiso 1 1 calc R
H10B H 0.7975 0.4648 0.1717 0.032 Uiso 1 1 calc R
C11 C 0.7110(3) 0.4658(3) 0.0448(3) 0.0257(7) Uani 1 1 d .
C12 C 0.7990(4) 0.5143(4) 0.0077(4) 0.0405(10) Uani 1 1 d .
H12A H 0.7721 0.4740 -0.0663 0.061 Uiso 1 1 calc R
H12B H 0.8698 0.5007 0.0312 0.061 Uiso 1 1 calc R
H12C H 0.8123 0.5996 0.0341 0.061 Uiso 1 1 calc R
C13 C 0.4927(3) 0.1401(3) 0.3831(2) 0.0196(7) Uani 1 1 d .
C14 C 0.5655(3) 0.2498(3) 0.4046(2) 0.0222(7) Uani 1 1 d .
H14 H 0.6206 0.2516 0.3713 0.027 Uiso 1 1 calc R
C15 C 0.5569(3) 0.3550(3) 0.4742(2) 0.0260(8) Uani 1 1 d .
H15 H 0.6066 0.4288 0.4890 0.031 Uiso 1 1 calc R
C16 C 0.4756(3) 0.3527(3) 0.5224(3) 0.0284(8) Uani 1 1 d .
H16 H 0.4695 0.4249 0.5699 0.034 Uiso 1 1 calc R
C17 C 0.4039(3) 0.2459(3) 0.5016(3) 0.0276(8) Uani 1 1 d .
H17 H 0.3480 0.2448 0.5342 0.033 Uiso 1 1 calc R
C18 C 0.4128(3) 0.1396(3) 0.4332(2) 0.0229(7) Uani 1 1 d .
H18 H 0.3643 0.0663 0.4206 0.028 Uiso 1 1 calc R
C19 C 0.3943(3) -0.1138(3) 0.2770(2) 0.0212(7) Uani 1 1 d .
C20 C 0.2817(3) -0.1342(3) 0.2265(3) 0.0263(8) Uani 1 1 d .
H20 H 0.2641 -0.0867 0.1970 0.032 Uiso 1 1 calc R
C21 C 0.1954(3) -0.2238(3) 0.2194(3) 0.0319(9) Uani 1 1 d .
H21 H 0.1188 -0.2368 0.1859 0.038 Uiso 1 1 calc R
C22 C 0.2212(3) -0.2943(3) 0.2613(3) 0.0339(9) Uani 1 1 d .
H22 H 0.1622 -0.3559 0.2561 0.041 Uiso 1 1 calc R
C23 C 0.3325(4) -0.2750(3) 0.3105(3) 0.0322(9) Uani 1 1 d .
H23 H 0.3500 -0.3234 0.3391 0.039 Uiso 1 1 calc R
C24 C 0.4184(3) -0.1853(3) 0.3183(3) 0.0263(8) Uani 1 1 d .
H24 H 0.4948 -0.1726 0.3523 0.032 Uiso 1 1 calc R
C25 C 0.6356(3) -0.0093(3) 0.3447(2) 0.0197(7) Uani 1 1 d .
C26 C 0.6769(3) -0.0916(3) 0.2820(3) 0.0255(7) Uani 1 1 d .
H26 H 0.6394 -0.1335 0.2111 0.031 Uiso 1 1 calc R
C27 C 0.7729(3) -0.1134(3) 0.3221(3) 0.0322(8) Uani 1 1 d .
H27 H 0.8000 -0.1712 0.2790 0.039 Uiso 1 1 calc R
C28 C 0.8289(3) -0.0496(4) 0.4260(3) 0.0329(9) Uani 1 1 d .
H28 H 0.8947 -0.0637 0.4538 0.040 Uiso 1 1 calc R
C29 C 0.7889(3) 0.0340(4) 0.4882(3) 0.0319(9) Uani 1 1 d .
H29 H 0.8281 0.0782 0.5588 0.038 Uiso 1 1 calc R
C30 C 0.6921(3) 0.0538(3) 0.4485(3) 0.0271(8) Uani 1 1 d .
H30 H 0.6641 0.1104 0.4919 0.033 Uiso 1 1 calc R
C31 C -0.0173(4) 0.0886(4) 0.3091(3) 0.0390(10) Uani 1 1 d .
H31A H -0.0105 0.1238 0.2643 0.047 Uiso 1 1 calc R
H31B H -0.0987 0.0587 0.3003 0.047 Uiso 1 1 calc R
C32 C 0.1154(4) 0.6170(4) 0.4655(3) 0.0445(11) Uani 1 1 d .
H32A H 0.1877 0.6660 0.4689 0.053 Uiso 1 1 calc R
H32B H 0.0966 0.6633 0.5268 0.053 Uiso 1 1 calc R
O1 O 0.10476(19) 0.2475(2) 0.01054(17) 0.0225(5) Uani 1 1 d .
O2 O 0.6184(2) 0.3957(2) -0.01269(19) 0.0281(5) Uani 1 1 d .
P1 P 0.50443(7) 0.00637(7) 0.28557(6) 0.01756(17) Uani 1 1 d .
S1 S 0.45624(6) 0.18568(7) 0.15925(6) 0.01710(15) Uani 1 1 d .
S2 S 0.35752(7) 0.28198(7) -0.01324(6) 0.01989(16) Uani 1 1 d .
S3 S 0.16395(7) -0.01481(7) -0.04242(6) 0.02137(17) Uani 1 1 d .
S4 S 0.35435(6) -0.16762(7) 0.00409(5) 0.01671(15) Uani 1 1 d .
Cu1 Cu 0.48724(3) 0.00569(3) 0.13682(3) 0.01723(9) Uani 1 1 d .
Sn1 Sn 0.268945(17) 0.187182(19) 0.070329(15) 0.01649(6) Uani 1 1 d .
Sn2 Sn 0.540671(17) 0.292016(18) 0.078141(15) 0.01612(6) Uani 1 1 d .
Sn3 Sn 0.677382(17) 0.068379(19) 0.104861(15) 0.01656(6) Uani 1 1 d .
Cl1 Cl 0.81465(7) 0.24813(7) 0.25536(6) 0.02677(18) Uani 1 1 d .
Cl2 Cl 0.03920(11) -0.03049(12) 0.27518(10) 0.0522(3) Uani 1 1 d .
Cl3 Cl 0.05547(10) 0.19847(11) 0.43591(9) 0.0476(3) Uani 1 1 d .
Cl4 Cl 0.13256(10) 0.48696(11) 0.46370(8) 0.0468(3) Uani 1 1 d .
Cl5 Cl 0.00769(9) 0.58672(12) 0.35817(8) 0.0513(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cu Cu 0.3201 1.2651 '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'
Cl Cl 0.1484 0.1585 '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
C4 C1 C3 111.1(3) . .
C4 C1 C2 110.6(3) . .
C3 C1 C2 111.1(3) . .
C4 C1 Sn1 108.1(2) . .
C3 C1 Sn1 107.4(2) . .
C2 C1 Sn1 108.4(2) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 C4 C1 113.7(3) . .
C5 C4 H4A 108.8 . .
C1 C4 H4A 108.8 . .
C5 C4 H4B 108.8 . .
C1 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
O1 C5 C6 121.9(3) . .
O1 C5 C4 120.2(3) . .
C6 C5 C4 117.8(3) . .
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 . .
C10 C7 C9 111.0(3) . .
C10 C7 C8 111.0(3) . .
C9 C7 C8 110.8(3) . .
C10 C7 Sn2 105.3(2) . .
C9 C7 Sn2 108.0(2) . .
C8 C7 Sn2 110.5(2) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C7 114.4(3) . .
C11 C10 H10A 108.7 . .
C7 C10 H10A 108.7 . .
C11 C10 H10B 108.7 . .
C7 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
O2 C11 C12 121.7(4) . .
O2 C11 C10 120.6(3) . .
C12 C11 C10 117.6(3) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 C14 118.9(3) . .
C18 C13 P1 123.7(3) . .
C14 C13 P1 117.3(3) . .
C15 C14 C13 120.2(3) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C14 C15 C16 120.0(3) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 120.1(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 120.4(3) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C17 C18 C13 120.3(3) . .
C17 C18 H18 119.9 . .
C13 C18 H18 119.9 . .
C24 C19 C20 119.0(3) . .
C24 C19 P1 122.6(3) . .
C20 C19 P1 118.4(3) . .
C21 C20 C19 120.1(4) . .
C21 C20 H20 119.9 . .
C19 C20 H20 119.9 . .
C22 C21 C20 120.0(4) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.0(3) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.1(4) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C24 C19 120.7(4) . .
C23 C24 H24 119.6 . .
C19 C24 H24 119.6 . .
C26 C25 C30 119.7(3) . .
C26 C25 P1 117.0(2) . .
C30 C25 P1 123.3(3) . .
C25 C26 C27 120.4(3) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C26 C27 C28 119.5(4) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
C29 C28 C27 120.1(4) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.4(3) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C29 C30 C25 120.0(4) . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
Cl3 C31 Cl2 110.6(2) . .
Cl3 C31 H31A 109.5 . .
Cl2 C31 H31A 109.5 . .
Cl3 C31 H31B 109.5 . .
Cl2 C31 H31B 109.5 . .
H31A C31 H31B 108.1 . .
Cl4 C32 Cl5 112.1(3) . .
Cl4 C32 H32A 109.2 . .
Cl5 C32 H32A 109.2 . .
Cl4 C32 H32B 109.2 . .
Cl5 C32 H32B 109.2 . .
H32A C32 H32B 107.9 . .
C5 O1 Sn1 109.5(2) . .
C11 O2 Sn2 106.2(2) . .
C13 P1 C25 104.61(15) . .
C13 P1 C19 103.87(15) . .
C25 P1 C19 103.26(15) . .
C13 P1 Cu1 113.62(10) . .
C25 P1 Cu1 116.76(11) . .
C19 P1 Cu1 113.32(10) . .
Cu1 S1 Sn2 120.14(3) . .
Cu1 S1 Sn1 120.99(3) . .
Sn2 S1 Sn1 86.57(2) . .
Sn2 S2 Sn1 89.70(3) . .
Sn1 S3 Sn3 95.46(3) . 2_655
Cu1 S4 Sn2 106.52(3) . 2_655
Cu1 S4 Sn3 91.87(3) . 2_655
Sn2 S4 Sn3 100.49(3) 2_655 2_655
P1 Cu1 S4 111.33(3) . .
P1 Cu1 S1 106.45(3) . .
S4 Cu1 S1 116.75(3) . .
P1 Cu1 Sn3 115.40(3) . .
S4 Cu1 Sn3 114.65(2) . .
S1 Cu1 Sn3 90.65(2) . .
C1 Sn1 S3 118.19(8) . .
C1 Sn1 S2 124.07(9) . .
S3 Sn1 S2 111.75(3) . .
C1 Sn1 S1 98.43(9) . .
S3 Sn1 S1 105.12(3) . .
S2 Sn1 S1 91.24(3) . .
C1 Sn1 O1 73.71(10) . .
S3 Sn1 O1 90.18(6) . .
S2 Sn1 O1 82.85(5) . .
S1 Sn1 O1 164.69(6) . .
C7 Sn2 S2 111.84(9) . .
C7 Sn2 S4 115.08(9) . 2_655
S2 Sn2 S4 121.81(3) . 2_655
C7 Sn2 S1 110.22(9) . .
S2 Sn2 S1 92.34(3) . .
S4 Sn2 S1 101.69(3) 2_655 .
C7 Sn2 O2 72.10(10) . .
S2 Sn2 O2 85.15(6) . .
S4 Sn2 O2 78.53(6) 2_655 .
S1 Sn2 O2 177.13(6) . .
Cl1 Sn3 S3 90.20(3) . 2_655
Cl1 Sn3 S4 95.70(3) . 2_655
S3 Sn3 S4 90.44(3) 2_655 2_655
Cl1 Sn3 Cu1 111.23(2) . .
S3 Sn3 Cu1 149.75(2) 2_655 .
S4 Sn3 Cu1 107.60(2) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C4 1.519(5) .
C1 C3 1.522(5) .
C1 C2 1.524(5) .
C1 Sn1 2.183(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C5 1.504(4) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 O1 1.227(4) .
C5 C6 1.482(5) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C10 1.521(5) .
C7 C9 1.528(5) .
C7 C8 1.539(5) .
C7 Sn2 2.192(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.510(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 O2 1.216(4) .
C11 C12 1.505(5) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C18 1.395(5) .
C13 C14 1.408(4) .
C13 P1 1.821(3) .
C14 C15 1.385(5) .
C14 H14 0.9500 .
C15 C16 1.392(5) .
C15 H15 0.9500 .
C16 C17 1.376(5) .
C16 H16 0.9500 .
C17 C18 1.390(5) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.388(5) .
C19 C20 1.396(5) .
C19 P1 1.828(3) .
C20 C21 1.390(5) .
C20 H20 0.9500 .
C21 C22 1.387(6) .
C21 H21 0.9500 .
C22 C23 1.380(6) .
C22 H22 0.9500 .
C23 C24 1.382(5) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.385(5) .
C25 C30 1.396(4) .
C25 P1 1.827(3) .
C26 C27 1.392(5) .
C26 H26 0.9500 .
C27 C28 1.396(6) .
C27 H27 0.9500 .
C28 C29 1.380(6) .
C28 H28 0.9500 .
C29 C30 1.384(5) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 Cl3 1.766(5) .
C31 Cl2 1.769(5) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 Cl4 1.752(5) .
C32 Cl5 1.759(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
O1 Sn1 2.516(2) .
O2 Sn2 2.537(2) .
P1 Cu1 2.2590(8) .
S1 Cu1 2.3626(9) .
S1 Sn2 2.4692(7) .
S1 Sn1 2.5058(8) .
S2 Sn2 2.4140(8) .
S2 Sn1 2.4227(8) .
S3 Sn1 2.3654(8) .
S3 Sn3 2.4983(9) 2_655
S4 Cu1 2.3166(8) .
S4 Sn2 2.4142(8) 2_655
S4 Sn3 2.5467(8) 2_655
Cu1 Sn3 2.6054(4) .
Sn2 S4 2.4141(8) 2_655
Sn3 Cl1 2.4713(8) .
Sn3 S3 2.4983(9) 2_655
Sn3 S4 2.5468(8) 2_655
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_4
C3 C1 C4 C5 74.3(4) . .
C2 C1 C4 C5 -161.8(3) . .
Sn1 C1 C4 C5 -43.2(3) . .
C1 C4 C5 O1 31.6(4) . .
C1 C4 C5 C6 -149.7(3) . .
C9 C7 C10 C11 -71.9(4) . .
C8 C7 C10 C11 164.4(3) . .
Sn2 C7 C10 C11 44.7(3) . .
C7 C10 C11 O2 -15.3(5) . .
C7 C10 C11 C12 166.8(3) . .
C18 C13 C14 C15 -0.3(5) . .
P1 C13 C14 C15 176.7(3) . .
C13 C14 C15 C16 -0.6(5) . .
C14 C15 C16 C17 0.4(5) . .
C15 C16 C17 C18 0.7(5) . .
C16 C17 C18 C13 -1.6(5) . .
C14 C13 C18 C17 1.4(5) . .
P1 C13 C18 C17 -175.4(3) . .
C24 C19 C20 C21 1.0(5) . .
P1 C19 C20 C21 -179.3(3) . .
C19 C20 C21 C22 -0.9(6) . .
C20 C21 C22 C23 0.4(6) . .
C21 C22 C23 C24 0.1(6) . .
C22 C23 C24 C19 0.0(6) . .
C20 C19 C24 C23 -0.5(5) . .
P1 C19 C24 C23 179.7(3) . .
C30 C25 C26 C27 1.3(5) . .
P1 C25 C26 C27 -176.5(3) . .
C25 C26 C27 C28 -1.4(5) . .
C26 C27 C28 C29 0.2(5) . .
C27 C28 C29 C30 1.1(6) . .
C28 C29 C30 C25 -1.2(5) . .
C26 C25 C30 C29 0.1(5) . .
P1 C25 C30 C29 177.7(3) . .
C6 C5 O1 Sn1 177.4(3) . .
C4 C5 O1 Sn1 -3.9(3) . .
C12 C11 O2 Sn2 159.5(3) . .
C10 C11 O2 Sn2 -18.3(4) . .
C18 C13 P1 C25 -109.0(3) . .
C14 C13 P1 C25 74.3(3) . .
C18 C13 P1 C19 -1.0(3) . .
C14 C13 P1 C19 -177.8(2) . .
C18 C13 P1 Cu1 122.6(3) . .
C14 C13 P1 Cu1 -54.2(3) . .
C26 C25 P1 C13 -168.4(3) . .
C30 C25 P1 C13 13.9(3) . .
C26 C25 P1 C19 83.2(3) . .
C30 C25 P1 C19 -94.5(3) . .
C26 C25 P1 Cu1 -41.9(3) . .
C30 C25 P1 Cu1 140.5(2) . .
C24 C19 P1 C13 -103.7(3) . .
C20 C19 P1 C13 76.6(3) . .
C24 C19 P1 C25 5.3(3) . .
C20 C19 P1 C25 -174.5(3) . .
C24 C19 P1 Cu1 132.5(3) . .
C20 C19 P1 Cu1 -47.2(3) . .
C13 P1 Cu1 S4 -129.00(12) . .
C25 P1 Cu1 S4 109.06(12) . .
C19 P1 Cu1 S4 -10.74(13) . .
C13 P1 Cu1 S1 -0.75(12) . .
C25 P1 Cu1 S1 -122.69(12) . .
C19 P1 Cu1 S1 117.50(13) . .
C13 P1 Cu1 Sn3 98.06(12) . .
C25 P1 Cu1 Sn3 -23.87(12) . .
C19 P1 Cu1 Sn3 -143.68(13) . .
Sn2 S4 Cu1 P1 -101.43(4) 2_655 .
Sn3 S4 Cu1 P1 157.05(3) 2_655 .
Sn2 S4 Cu1 S1 136.08(3) 2_655 .
Sn3 S4 Cu1 S1 34.56(4) 2_655 .
Sn2 S4 Cu1 Sn3 31.88(4) 2_655 .
Sn3 S4 Cu1 Sn3 -69.64(3) 2_655 .
Sn2 S1 Cu1 P1 142.95(4) . .
Sn1 S1 Cu1 P1 -111.51(4) . .
Sn2 S1 Cu1 S4 -92.06(4) . .
Sn1 S1 Cu1 S4 13.48(5) . .
Sn2 S1 Cu1 Sn3 26.16(3) . .
Sn1 S1 Cu1 Sn3 131.70(3) . .
C4 C1 Sn1 S3 -52.1(2) . .
C3 C1 Sn1 S3 -172.01(19) . .
C2 C1 Sn1 S3 67.9(2) . .
C4 C1 Sn1 S2 98.4(2) . .
C3 C1 Sn1 S2 -21.5(3) . .
C2 C1 Sn1 S2 -141.63(19) . .
C4 C1 Sn1 S1 -164.4(2) . .
C3 C1 Sn1 S1 75.7(2) . .
C2 C1 Sn1 S1 -44.3(2) . .
C4 C1 Sn1 O1 29.1(2) . .
C3 C1 Sn1 O1 -90.8(2) . .
C2 C1 Sn1 O1 149.1(2) . .
Sn3 S3 Sn1 C1 -153.10(10) 2_655 .
Sn3 S3 Sn1 S2 52.98(4) 2_655 .
Sn3 S3 Sn1 S1 -44.61(3) 2_655 .
Sn3 S3 Sn1 O1 135.35(6) 2_655 .
Sn2 S2 Sn1 C1 98.09(10) . .
Sn2 S2 Sn1 S3 -109.80(3) . .
Sn2 S2 Sn1 S1 -2.96(3) . .
Sn2 S2 Sn1 O1 162.87(6) . .
Cu1 S1 Sn1 C1 114.75(9) . .
Sn2 S1 Sn1 C1 -121.83(9) . .
Cu1 S1 Sn1 S3 -7.58(4) . .
Sn2 S1 Sn1 S3 115.84(3) . .
Cu1 S1 Sn1 S2 -120.52(4) . .
Sn2 S1 Sn1 S2 2.90(3) . .
Cu1 S1 Sn1 O1 172.6(2) . .
Sn2 S1 Sn1 O1 -64.0(2) . .
C5 O1 Sn1 C1 -15.5(2) . .
C5 O1 Sn1 S3 103.9(2) . .
C5 O1 Sn1 S2 -144.2(2) . .
C5 O1 Sn1 S1 -76.3(3) . .
C10 C7 Sn2 S2 -114.2(2) . .
C9 C7 Sn2 S2 4.4(2) . .
C8 C7 Sn2 S2 125.8(2) . .
C10 C7 Sn2 S4 30.3(2) . 2_655
C9 C7 Sn2 S4 148.95(19) . 2_655
C8 C7 Sn2 S4 -89.6(2) . 2_655
C10 C7 Sn2 S1 144.5(2) . .
C9 C7 Sn2 S1 -96.8(2) . .
C8 C7 Sn2 S1 24.6(3) . .
C10 C7 Sn2 O2 -37.3(2) . .
C9 C7 Sn2 O2 81.4(2) . .
C8 C7 Sn2 O2 -157.2(3) . .
Sn1 S2 Sn2 C7 -109.88(10) . .
Sn1 S2 Sn2 S4 108.32(3) . 2_655
Sn1 S2 Sn2 S1 3.01(3) . .
Sn1 S2 Sn2 O2 -178.39(6) . .
Cu1 S1 Sn2 C7 -124.43(10) . .
Sn1 S1 Sn2 C7 111.40(10) . .
Cu1 S1 Sn2 S2 121.25(4) . .
Sn1 S1 Sn2 S2 -2.91(3) . .
Cu1 S1 Sn2 S4 -1.93(4) . 2_655
Sn1 S1 Sn2 S4 -126.09(2) . 2_655
C11 O2 Sn2 C7 33.1(2) . .
C11 O2 Sn2 S2 147.9(2) . .
C11 O2 Sn2 S4 -88.2(2) . 2_655
P1 Cu1 Sn3 Cl1 -45.60(4) . .
S4 Cu1 Sn3 Cl1 -176.97(3) . .
S1 Cu1 Sn3 Cl1 63.00(3) . .
P1 Cu1 Sn3 S3 86.75(5) . 2_655
S4 Cu1 Sn3 S3 -44.63(5) . 2_655
S1 Cu1 Sn3 S3 -164.66(5) . 2_655
P1 Cu1 Sn3 S4 -149.19(3) . 2_655
S4 Cu1 Sn3 S4 79.44(4) . 2_655
S1 Cu1 Sn3 S4 -40.59(3) . 2_655
