#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:50:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179080 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/42/4304263.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_4304263
loop_
_publ_author_name
'Long-Sheng Wang'
'Tian-Lu Sheng'
'Xin Wang'
'Dong-Bo Chen'
'Sheng-Min Hu'
'Rui-Biao Fu'
'Sheng-Chang Xiang'
'Xin-Tao Wu'
_publ_section_title
;
Self-Assembly of Luminescent Sn(IV)/Cu/S Clusters Using Metal Thiolates as
Metalloligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4054
_journal_page_last               4059
_journal_paper_doi               10.1021/ic701741m
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C78 H74 Cl4 Cu2 O P4 S5 Sn'
_chemical_formula_weight         1699.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.147(4)
_cell_length_b                   19.441(4)
_cell_length_c                   22.540(5)
_cell_measurement_reflns_used    10621
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.3707
_cell_volume                     7952(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            49354
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    1.230
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9036
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.1000
_exptl_crystal_size_mid          0.0800
_exptl_crystal_size_min          0.0600
_refine_diff_density_max         0.900
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1330P)²+18.8636P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1994
_refine_ls_wR_factor_ref         0.2270
_reflns_number_gt                5649
_reflns_number_total             7038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701741m-file002_1.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4304263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn -0.2500 0.7500 0.20843(2) 0.0432(2) Uani 1 2 d S . .
Cu1 Cu -0.11522(4) 0.75595(3) 0.10402(3) 0.0440(2) Uani 1 1 d . . .
S1 S -0.2500 0.7500 0.10356(8) 0.0427(5) Uani 1 2 d S . .
S2 S -0.10644(8) 0.75195(8) 0.20996(6) 0.0493(4) Uani 1 1 d . . .
S3 S -0.24601(9) 0.85564(11) 0.26532(9) 0.0707(5) Uani 1 1 d . . .
Cl1 Cl -0.6700(6) 0.8899(12) 0.2156(4) 0.575(15) Uani 1 1 d . . .
Cl2 Cl -0.6044(6) 0.7681(10) 0.2791(6) 0.636(17) Uani 1 1 d . . .
P1 P -0.07125(8) 0.65329(7) 0.06831(7) 0.0447(4) Uani 1 1 d . . .
P2 P -0.06822(8) 0.85226(7) 0.06093(7) 0.0445(4) Uani 1 1 d . . .
C1 C -0.1523(8) 0.8835(7) 0.2414(7) 0.066(4) Uani 0.50 1 d P A 1
H1A H -0.1551 0.8981 0.2003 0.079 Uiso 0.50 1 calc PR A 1
H1B H -0.1383 0.9232 0.2648 0.079 Uiso 0.50 1 calc PR A 1
C2 C -0.0970(4) 0.8344(5) 0.2463(4) 0.093(3) Uani 0.50 1 d P A 1
H2A H -0.0898 0.8256 0.2882 0.112 Uiso 0.50 1 calc PR A 1
H2B H -0.0519 0.8553 0.2317 0.112 Uiso 0.50 1 calc PR A 1
C01 C -0.1494(7) 0.8548(11) 0.2883(8) 0.088(5) Uani 0.50 1 d P A 2
H01A H -0.1367 0.9007 0.3016 0.106 Uiso 0.50 1 calc PR A 2
H01B H -0.1451 0.8245 0.3223 0.106 Uiso 0.50 1 calc PR A 2
C02 C -0.0970(4) 0.8344(5) 0.2463(4) 0.093(3) Uani 0.50 1 d P A 2
H02A H -0.0492 0.8351 0.2656 0.112 Uiso 0.50 1 calc PR A 2
H02B H -0.0958 0.8694 0.2156 0.112 Uiso 0.50 1 calc PR A 2
C3 C -0.636(3) 0.824(2) 0.2384(8) 0.65(6) Uani 1 1 d . . .
H3A H -0.5936 0.8258 0.2122 0.775 Uiso 1 1 calc R . .
H3B H -0.6698 0.7939 0.2178 0.775 Uiso 1 1 calc R . .
C11 C -0.0615(3) 0.5837(3) 0.1220(3) 0.0550(14) Uani 1 1 d . A .
C12 C -0.1149(4) 0.5765(3) 0.1656(3) 0.0659(17) Uani 1 1 d . . .
H12A H -0.1543 0.6071 0.1667 0.079 Uiso 1 1 calc R A .
C13 C -0.1108(5) 0.5246(4) 0.2077(4) 0.090(3) Uani 1 1 d . A .
H13A H -0.1466 0.5210 0.2370 0.108 Uiso 1 1 calc R . .
C14 C -0.0542(6) 0.4789(5) 0.2058(4) 0.115(4) Uani 1 1 d . . .
H14A H -0.0512 0.4442 0.2341 0.138 Uiso 1 1 calc R A .
C15 C -0.0014(6) 0.4837(5) 0.1625(5) 0.123(4) Uani 1 1 d . A .
H15A H 0.0367 0.4518 0.1613 0.147 Uiso 1 1 calc R . .
C16 C -0.0046(5) 0.5360(4) 0.1204(4) 0.092(3) Uani 1 1 d . . .
H16A H 0.0315 0.5390 0.0912 0.110 Uiso 1 1 calc R A .
C21 C -0.1281(3) 0.6153(3) 0.0101(3) 0.0468(13) Uani 1 1 d . A .
C22 C -0.1286(3) 0.5457(3) -0.0022(3) 0.0601(16) Uani 1 1 d . . .
H22A H -0.1011 0.5157 0.0211 0.072 Uiso 1 1 calc R A .
C23 C -0.1701(4) 0.5206(4) -0.0491(3) 0.072(2) Uani 1 1 d . A .
H23A H -0.1699 0.4737 -0.0574 0.086 Uiso 1 1 calc R . .
C24 C -0.2110(4) 0.5640(5) -0.0833(4) 0.082(2) Uani 1 1 d . . .
H24A H -0.2384 0.5469 -0.1148 0.098 Uiso 1 1 calc R A .
C25 C -0.2114(5) 0.6323(4) -0.0708(3) 0.079(2) Uani 1 1 d . A .
H25A H -0.2396 0.6618 -0.0941 0.095 Uiso 1 1 calc R . .
C26 C -0.1711(4) 0.6588(3) -0.0246(3) 0.0605(16) Uani 1 1 d . . .
H26A H -0.1725 0.7057 -0.0165 0.073 Uiso 1 1 calc R A .
C31 C 0.0206(3) 0.6566(3) 0.0344(3) 0.0583(16) Uani 1 1 d . A .
C32 C 0.0379(4) 0.6310(3) -0.0217(3) 0.0703(18) Uani 1 1 d . . .
H32A H 0.0020 0.6084 -0.0438 0.084 Uiso 1 1 calc R A .
C33 C 0.1077(5) 0.6390(5) -0.0446(5) 0.099(3) Uani 1 1 d . A .
H33A H 0.1182 0.6222 -0.0823 0.119 Uiso 1 1 calc R . .
C34 C 0.1615(5) 0.6709(5) -0.0130(6) 0.112(4) Uani 1 1 d . . .
H34A H 0.2086 0.6755 -0.0287 0.134 Uiso 1 1 calc R A .
C35 C 0.1456(4) 0.6959(5) 0.0417(6) 0.106(3) Uani 1 1 d . A .
H35A H 0.1824 0.7175 0.0635 0.128 Uiso 1 1 calc R . .
C36 C 0.0763(4) 0.6900(4) 0.0657(4) 0.077(2) Uani 1 1 d . . .
H36A H 0.0665 0.7084 0.1030 0.093 Uiso 1 1 calc R A .
C41 C -0.0724(3) 0.8569(3) -0.0201(3) 0.0503(13) Uani 1 1 d . A .
C42 C -0.0990(4) 0.9131(4) -0.0516(3) 0.0667(17) Uani 1 1 d . . .
H42A H -0.1158 0.9516 -0.0312 0.080 Uiso 1 1 calc R A .
C43 C -0.1010(4) 0.9126(5) -0.1131(3) 0.077(2) Uani 1 1 d . A .
H43A H -0.1184 0.9509 -0.1334 0.093 Uiso 1 1 calc R . .
C44 C -0.0777(5) 0.8567(5) -0.1435(3) 0.085(2) Uani 1 1 d . . .
H44A H -0.0803 0.8565 -0.1848 0.102 Uiso 1 1 calc R A .
C45 C -0.0508(6) 0.8012(5) -0.1145(4) 0.096(3) Uani 1 1 d . A .
H45A H -0.0340 0.7633 -0.1357 0.115 Uiso 1 1 calc R . .
C46 C -0.0483(5) 0.8010(4) -0.0527(3) 0.083(2) Uani 1 1 d . . .
H46A H -0.0300 0.7626 -0.0330 0.099 Uiso 1 1 calc R A .
C51 C 0.0297(3) 0.8665(3) 0.0768(3) 0.0510(13) Uani 1 1 d . A .
C52 C 0.0569(4) 0.8514(4) 0.1318(3) 0.0699(18) Uani 1 1 d . . .
H52A H 0.0253 0.8331 0.1602 0.084 Uiso 1 1 calc R A .
C53 C 0.1295(4) 0.8623(5) 0.1466(4) 0.084(2) Uani 1 1 d . A .
H53A H 0.1463 0.8529 0.1848 0.101 Uiso 1 1 calc R . .
C54 C 0.1768(4) 0.8874(4) 0.1043(4) 0.081(2) Uani 1 1 d . . .
H54A H 0.2262 0.8940 0.1135 0.097 Uiso 1 1 calc R A .
C55 C 0.1522(4) 0.9023(4) 0.0499(4) 0.078(2) Uani 1 1 d . A .
H55A H 0.1847 0.9199 0.0218 0.094 Uiso 1 1 calc R . .
C56 C 0.0792(3) 0.8920(3) 0.0348(3) 0.0648(17) Uani 1 1 d . . .
H56A H 0.0630 0.9020 -0.0034 0.078 Uiso 1 1 calc R A .
C61 C -0.1108(3) 0.9331(3) 0.0839(2) 0.0467(12) Uani 1 1 d . A .
C62 C -0.1876(3) 0.9377(3) 0.0827(3) 0.0606(16) Uani 1 1 d . . .
H62A H -0.2154 0.9003 0.0702 0.073 Uiso 1 1 calc R A .
C63 C -0.2221(4) 0.9970(4) 0.0998(3) 0.0696(18) Uani 1 1 d . A .
H63A H -0.2732 0.9993 0.0985 0.084 Uiso 1 1 calc R . .
C64 C -0.1829(4) 1.0533(4) 0.1187(4) 0.079(2) Uani 1 1 d . . .
H64A H -0.2072 1.0929 0.1308 0.095 Uiso 1 1 calc R A .
C65 C -0.1068(5) 1.0502(4) 0.1195(4) 0.084(2) Uani 1 1 d . A .
H65A H -0.0795 1.0884 0.1313 0.101 Uiso 1 1 calc R . .
C66 C -0.0706(4) 0.9894(3) 0.1027(3) 0.0647(17) Uani 1 1 d . . .
H66B H -0.0195 0.9870 0.1041 0.078 Uiso 1 1 calc R A .
O1 O 0.2500 0.7500 -0.154(2) 0.48(3) Uiso 1 2 d S . .
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'
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'
O O 0.0106 0.0060 '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
S1 Sn1 S3 121.96(6) . . ?
S1 Sn1 S3 121.96(6) . 2_465 ?
S3 Sn1 S3 116.07(11) . 2_465 ?
S1 Sn1 S2 90.76(3) . 2_465 ?
S3 Sn1 S2 92.02(5) . 2_465 ?
S3 Sn1 S2 87.18(5) 2_465 2_465 ?
S1 Sn1 S2 90.76(3) . . ?
S3 Sn1 S2 87.18(5) . . ?
S3 Sn1 S2 92.02(5) 2_465 . ?
S2 Sn1 S2 178.48(7) 2_465 . ?
P2 Cu1 P1 115.82(6) . . ?
P2 Cu1 S2 115.31(6) . . ?
P1 Cu1 S2 107.36(6) . . ?
P2 Cu1 S1 114.30(5) . . ?
P1 Cu1 S1 107.74(5) . . ?
S2 Cu1 S1 93.97(6) . . ?
Sn1 S1 Cu1 89.76(5) . 2_465 ?
Sn1 S1 Cu1 89.76(5) . . ?
Cu1 S1 Cu1 179.52(9) 2_465 . ?
C2 S2 Cu1 115.4(3) . . ?
C2 S2 Sn1 96.5(3) . . ?
Cu1 S2 Sn1 85.45(5) . . ?
C01 S3 C1 37.8(7) . . ?
C01 S3 Sn1 99.9(6) . . ?
C1 S3 Sn1 96.9(4) . . ?
C11 P1 C21 103.3(3) . . ?
C11 P1 C31 102.4(3) . . ?
C21 P1 C31 103.2(3) . . ?
C11 P1 Cu1 116.5(2) . . ?
C21 P1 Cu1 114.06(18) . . ?
C31 P1 Cu1 115.6(2) . . ?
C61 P2 C41 102.9(3) . . ?
C61 P2 C51 103.0(3) . . ?
C41 P2 C51 103.2(3) . . ?
C61 P2 Cu1 115.36(18) . . ?
C41 P2 Cu1 116.79(18) . . ?
C51 P2 Cu1 113.8(2) . . ?
C2 C1 S3 115.9(9) . . ?
C2 C1 H1A 108.3 . . ?
S3 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
S3 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 S2 120.3(7) . . ?
C1 C2 H2A 107.3 . . ?
S2 C2 H2A 107.3 . . ?
C1 C2 H2B 107.3 . . ?
S2 C2 H2B 107.3 . . ?
H2A C2 H2B 106.9 . . ?
S3 C01 H01A 107.9 . . ?
S3 C01 H01B 107.9 . . ?
H01A C01 H01B 107.2 . . ?
Cl1 C3 Cl2 163(2) . . ?
Cl1 C3 H3A 95.2 . . ?
Cl2 C3 H3A 95.2 . . ?
Cl1 C3 H3B 95.2 . . ?
Cl2 C3 H3B 95.2 . . ?
H3A C3 H3B 103.2 . . ?
C12 C11 C16 118.0(6) . . ?
C12 C11 P1 118.5(5) . . ?
C16 C11 P1 123.4(5) . . ?
C11 C12 C13 121.4(7) . . ?
C11 C12 H12A 119.3 . . ?
C13 C12 H12A 119.3 . . ?
C14 C13 C12 119.7(8) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C13 C14 C15 120.4(8) . . ?
C13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
C14 C15 C16 120.4(8) . . ?
C14 C15 H15A 119.8 . . ?
C16 C15 H15A 119.8 . . ?
C11 C16 C15 120.1(8) . . ?
C11 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C22 C21 C26 118.6(6) . . ?
C22 C21 P1 123.0(5) . . ?
C26 C21 P1 118.3(5) . . ?
C21 C22 C23 120.1(6) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C24 C23 C22 120.6(7) . . ?
C24 C23 H23A 119.7 . . ?
C22 C23 H23A 119.7 . . ?
C23 C24 C25 119.5(7) . . ?
C23 C24 H24A 120.2 . . ?
C25 C24 H24A 120.2 . . ?
C24 C25 C26 121.4(7) . . ?
C24 C25 H25A 119.3 . . ?
C26 C25 H25A 119.3 . . ?
C25 C26 C21 119.8(6) . . ?
C25 C26 H26A 120.1 . . ?
C21 C26 H26A 120.1 . . ?
C36 C31 C32 117.5(6) . . ?
C36 C31 P1 117.7(5) . . ?
C32 C31 P1 124.7(5) . . ?
C33 C32 C31 120.5(8) . . ?
C33 C32 H32A 119.8 . . ?
C31 C32 H32A 119.8 . . ?
C34 C33 C32 121.1(9) . . ?
C34 C33 H33A 119.4 . . ?
C32 C33 H33A 119.4 . . ?
C35 C34 C33 119.1(8) . . ?
C35 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
C34 C35 C36 121.6(9) . . ?
C34 C35 H35A 119.2 . . ?
C36 C35 H35A 119.2 . . ?
C35 C36 C31 120.2(8) . . ?
C35 C36 H36A 119.9 . . ?
C31 C36 H36A 119.9 . . ?
C46 C41 C42 117.2(6) . . ?
C46 C41 P2 118.6(5) . . ?
C42 C41 P2 124.2(5) . . ?
C43 C42 C41 120.9(7) . . ?
C43 C42 H42A 119.5 . . ?
C41 C42 H42A 119.5 . . ?
C44 C43 C42 120.3(8) . . ?
C44 C43 H43A 119.8 . . ?
C42 C43 H43A 119.8 . . ?
C43 C44 C45 120.4(7) . . ?
C43 C44 H44A 119.8 . . ?
C45 C44 H44A 119.8 . . ?
C44 C45 C46 119.8(8) . . ?
C44 C45 H45A 120.1 . . ?
C46 C45 H45A 120.1 . . ?
C41 C46 C45 121.3(8) . . ?
C41 C46 H46A 119.4 . . ?
C45 C46 H46A 119.4 . . ?
C52 C51 C56 117.3(6) . . ?
C52 C51 P2 119.7(5) . . ?
C56 C51 P2 123.0(5) . . ?
C51 C52 C53 122.2(7) . . ?
C51 C52 H52A 118.9 . . ?
C53 C52 H52A 118.9 . . ?
C54 C53 C52 119.0(7) . . ?
C54 C53 H53A 120.5 . . ?
C52 C53 H53A 120.5 . . ?
C55 C54 C53 120.4(7) . . ?
C55 C54 H54A 119.8 . . ?
C53 C54 H54A 119.8 . . ?
C54 C55 C56 121.0(7) . . ?
C54 C55 H55A 119.5 . . ?
C56 C55 H55A 119.5 . . ?
C55 C56 C51 120.0(7) . . ?
C55 C56 H56A 120.0 . . ?
C51 C56 H56A 120.0 . . ?
C66 C61 C62 118.8(6) . . ?
C66 C61 P2 123.0(5) . . ?
C62 C61 P2 118.2(4) . . ?
C63 C62 C61 120.4(6) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C62 C63 C64 121.5(7) . . ?
C62 C63 H63A 119.3 . . ?
C64 C63 H63A 119.3 . . ?
C63 C64 C65 119.2(7) . . ?
C63 C64 H64A 120.4 . . ?
C65 C64 H64A 120.4 . . ?
C64 C65 C66 120.0(7) . . ?
C64 C65 H65A 120.0 . . ?
C66 C65 H65A 120.0 . . ?
C61 C66 C65 120.2(6) . . ?
C61 C66 H66B 119.9 . . ?
C65 C66 H66B 119.9 . . ?
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
Sn1 S1 2.364(2) . ?
Sn1 S3 2.4222(18) . ?
Sn1 S3 2.4222(18) 2_465 ?
Sn1 S2 2.6058(16) 2_465 ?
Sn1 S2 2.6058(16) . ?
Cu1 P2 2.2752(15) . ?
Cu1 P1 2.2952(16) . ?
Cu1 S2 2.3944(17) . ?
Cu1 S1 2.4486(8) . ?
S1 Cu1 2.4486(8) 2_465 ?
S2 C2 1.809(8) . ?
S3 C01 1.828(14) . ?
S3 C1 1.864(14) . ?
Cl1 C3 1.51(4) . ?
Cl2 C3 1.54(4) . ?
P1 C11 1.824(6) . ?
P1 C21 1.825(6) . ?
P1 C31 1.834(6) . ?
P2 C61 1.826(6) . ?
P2 C41 1.831(6) . ?
P2 C51 1.833(6) . ?
C1 C2 1.389(17) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C01 H01A 0.9700 . ?
C01 H01B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C11 C12 1.388(9) . ?
C11 C16 1.389(9) . ?
C12 C13 1.387(10) . ?
C12 H12A 0.9300 . ?
C13 C14 1.359(12) . ?
C13 H13A 0.9300 . ?
C14 C15 1.370(13) . ?
C14 H14A 0.9300 . ?
C15 C16 1.392(11) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C21 C22 1.380(9) . ?
C21 C26 1.391(8) . ?
C22 C23 1.388(9) . ?
C22 H22A 0.9300 . ?
C23 C24 1.362(11) . ?
C23 H23A 0.9300 . ?
C24 C25 1.357(11) . ?
C24 H24A 0.9300 . ?
C25 C26 1.374(10) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C31 C36 1.393(9) . ?
C31 C32 1.395(9) . ?
C32 C33 1.376(10) . ?
C32 H32A 0.9300 . ?
C33 C34 1.358(14) . ?
C33 H33A 0.9300 . ?
C34 C35 1.357(14) . ?
C34 H34A 0.9300 . ?
C35 C36 1.374(11) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C41 C46 1.382(9) . ?
C41 C42 1.390(9) . ?
C42 C43 1.385(10) . ?
C42 H42A 0.9300 . ?
C43 C44 1.353(12) . ?
C43 H43A 0.9300 . ?
C44 C45 1.355(12) . ?
C44 H44A 0.9300 . ?
C45 C46 1.392(11) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C51 C52 1.366(9) . ?
C51 C56 1.397(8) . ?
C52 C53 1.376(9) . ?
C52 H52A 0.9300 . ?
C53 C54 1.372(10) . ?
C53 H53A 0.9300 . ?
C54 C55 1.336(11) . ?
C54 H54A 0.9300 . ?
C55 C56 1.383(9) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C61 C66 1.381(8) . ?
C61 C62 1.397(8) . ?
C62 C63 1.367(9) . ?
C62 H62A 0.9300 . ?
C63 C64 1.372(10) . ?
C63 H63A 0.9300 . ?
C64 C65 1.383(11) . ?
C64 H64A 0.9300 . ?
C65 C66 1.405(10) . ?
C65 H65A 0.9300 . ?
C66 H66B 0.9300 . ?
