#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:48:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179425 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/22/4332212.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332212
loop_
_publ_author_name
'Wang, Xin'
'Sheng, Tian-Lu'
'Fu, Rui-Biao'
'Hu, Sheng-Min'
'Xiang, Sheng-Chang'
'Wang, Long-Sheng'
'Wu, Xin-Tao'
_publ_section_title
;
 Assembly of a Heterometallic Polynuclear SnIV−CuICluster Based on
 Sn(edt)2(edt = Ethane-1,2-dithiolate) as a Metalloligand
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5236
_journal_page_last               5238
_journal_paper_doi               10.1021/ic060131m
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C87 H90 Cl8 Cu4 O9 P4 S12 Sn3'
_chemical_formula_sum            'C87 H90 Cl8 Cu4 O9 P4 S12 Sn3'
_chemical_formula_weight         2682.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                120.00
_cell_formula_units_Z            6
_cell_length_a                   18.156(2)
_cell_length_b                   18.156(2)
_cell_length_c                   54.495(10)
_cell_measurement_reflns_used    8107
_cell_measurement_temperature    130.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1730
_cell_volume                     15557(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130.1500
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Mercury CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       70
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            39919
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    2.077
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8005
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             8028
_exptl_crystal_size_max          0.3800
_exptl_crystal_size_mid          0.3000
_exptl_crystal_size_min          0.2500
_refine_diff_density_max         4.638
_refine_diff_density_min         -1.360
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         7923
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0496
_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)+(0.0267P)²+242.2413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                7653
_reflns_number_total             7923
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060131msup1.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        15558(4)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4332212
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Sn1 Sn 0.766747(17) 0.311412(18) 0.135084(5) 0.02098(8) Uani 1 1 d .
Cu1 Cu 0.80442(3) 0.43884(3) 0.074822(9) 0.01961(11) Uani 1 1 d .
Cu2 Cu 0.6667 0.3333 0.195793(15) 0.01897(16) Uani 1 3 d S
Cl1 Cl 0.6667 0.3333 0.02392(3) 0.0176(3) Uani 1 3 d S
Cl2 Cl 0.3333 0.6667 0.1667 0.0407(6) Uani 1 6 d SD
Cl3 Cl 0.6667 0.3333 0.3333 0.0301(5) Uani 1 6 d SD
Cl4 Cl 0.2012(2) 0.50307(18) 0.08192(5) 0.1073(8) Uani 1 1 d .
Cl5 Cl 0.12468(13) 0.42780(12) 0.12824(3) 0.0686(5) Uani 1 1 d .
S1 S 0.70816(9) 0.46674(7) 0.18050(2) 0.0337(3) Uani 1 1 d .
S2 S 0.76460(5) 0.30446(5) 0.087658(16) 0.01570(17) Uani 1 1 d .
S3 S 0.89499(9) 0.30055(11) 0.13265(2) 0.0473(4) Uani 1 1 d .
S4 S 0.84224(7) 0.47705(8) 0.13567(2) 0.0337(3) Uani 1 1 d .
P1 P 0.93093(6) 0.54976(6) 0.065320(18) 0.01905(19) Uani 1 1 d .
P2 P 0.6667 0.3333 0.23708(3) 0.0199(3) Uani 1 3 d S
O1 O 0.6667 0.3333 0.13019(8) 0.0139(8) Uani 1 3 d S
O11 O 0.75255(19) 0.3840(2) 0.03290(6) 0.0332(7) Uani 1 1 d .
O12 O 0.6667 0.3333 -0.00236(8) 0.0248(10) Uani 1 3 d S
O21 O 0.3333 0.6667 0.19351(15) 0.073(5) Uani 0.50 3 d SPD
O22 O 0.3956(7) 0.7511(5) 0.16037(19) 0.078(3) Uani 0.50 1 d PD
O31 O 0.6850(8) 0.4022(6) 0.3504(2) 0.077(3) Uani 0.50 1 d PD
O32 O 0.642(2) 0.2475(9) 0.3371(6) 0.068(8) Uani 0.17 1 d PD
C1 C 0.9928(3) 0.7140(3) 0.04515(8) 0.0313(9) Uani 1 1 d .
H1A H 1.0403 0.7316 0.0551 0.038 Uiso 1 1 calc R
C2 C 0.9254(3) 0.6300(3) 0.04638(7) 0.0233(8) Uani 1 1 d .
C3 C 0.9189(4) 0.7446(4) 0.01397(9) 0.0438(13) Uani 1 1 d .
H3A H 0.9171 0.7827 0.0029 0.053 Uiso 1 1 calc R
C4 C 0.9887(4) 0.7708(3) 0.02914(9) 0.0403(12) Uani 1 1 d .
H4A H 1.0330 0.8268 0.0285 0.048 Uiso 1 1 calc R
C5 C 0.7773(3) 0.4642(4) 0.26953(11) 0.0509(15) Uani 1 1 d .
H5A H 0.7291 0.4606 0.2767 0.061 Uiso 1 1 calc R
C6 C 0.9295(3) 0.5308(3) 0.26772(10) 0.0411(12) Uani 1 1 d .
H6A H 0.9829 0.5712 0.2735 0.049 Uiso 1 1 calc R
C7 C 0.8574(4) 0.5231(4) 0.27823(13) 0.0616(19) Uani 1 1 d .
H7A H 0.8622 0.5578 0.2914 0.074 Uiso 1 1 calc R
C8 C 0.7688(3) 0.4108(3) 0.25031(7) 0.0230(8) Uani 1 1 d .
C9 C 0.8419(3) 0.4187(3) 0.23984(8) 0.0317(10) Uani 1 1 d .
H9A H 0.8373 0.3837 0.2268 0.038 Uiso 1 1 calc R
C10 C 0.9218(3) 0.4779(3) 0.24851(9) 0.0358(10) Uani 1 1 d .
H10A H 0.9702 0.4820 0.2414 0.043 Uiso 1 1 calc R
C11 C 1.0103(3) 0.6999(3) 0.12669(8) 0.0341(10) Uani 1 1 d .
H11A H 1.0002 0.7403 0.1340 0.041 Uiso 1 1 calc R
C12 C 1.0605(3) 0.6741(3) 0.13845(8) 0.0347(10) Uani 1 1 d .
H12A H 1.0840 0.6968 0.1537 0.042 Uiso 1 1 calc R
C13 C 0.9745(3) 0.6662(3) 0.10391(8) 0.0270(9) Uani 1 1 d .
H13A H 0.9402 0.6837 0.0962 0.032 Uiso 1 1 calc R
C14 C 0.9899(2) 0.6062(2) 0.09262(7) 0.0206(7) Uani 1 1 d .
C15 C 0.8549(3) 0.6048(3) 0.03167(8) 0.0284(9) Uani 1 1 d .
H15A H 0.8092 0.5496 0.0328 0.034 Uiso 1 1 calc R
C16 C 1.0049(3) 0.5296(3) 0.04802(7) 0.0249(8) Uani 1 1 d .
C17 C 0.9749(3) 0.4530(3) 0.03573(8) 0.0303(9) Uani 1 1 d .
H17A H 0.9180 0.4112 0.0371 0.036 Uiso 1 1 calc R
C18 C 1.1136(4) 0.5003(4) 0.01936(10) 0.0512(15) Uani 1 1 d .
H18A H 1.1501 0.4904 0.0098 0.061 Uiso 1 1 calc R
C19 C 1.0410(3) 0.5807(3) 0.10481(8) 0.0268(8) Uani 1 1 d .
H19A H 1.0518 0.5407 0.0976 0.032 Uiso 1 1 calc R
C20 C 1.0760(3) 0.6141(3) 0.12756(9) 0.0344(10) Uani 1 1 d .
H20A H 1.1097 0.5964 0.1355 0.041 Uiso 1 1 calc R
C21 C 0.8519(4) 0.6621(4) 0.01513(9) 0.0399(11) Uani 1 1 d .
H21A H 0.8050 0.6447 0.0049 0.048 Uiso 1 1 calc R
C22 C 1.0295(4) 0.4385(4) 0.02133(10) 0.0430(12) Uani 1 1 d .
H22A H 1.0093 0.3871 0.0131 0.052 Uiso 1 1 calc R
C23 C 1.0904(3) 0.5917(3) 0.04582(10) 0.0390(11) Uani 1 1 d .
H23A H 1.1110 0.6432 0.0540 0.047 Uiso 1 1 calc R
C24 C 0.9220(3) 0.3267(3) 0.10055(8) 0.0303(9) Uani 1 1 d .
H24A H 0.9435 0.3871 0.0983 0.036 Uiso 1 1 calc R
H24B H 0.9674 0.3156 0.0963 0.036 Uiso 1 1 calc R
C25 C 1.1446(3) 0.5769(4) 0.03144(11) 0.0508(15) Uani 1 1 d .
H25A H 1.2016 0.6184 0.0299 0.061 Uiso 1 1 calc R
C26 C 0.8489(3) 0.2782(3) 0.08306(8) 0.0242(8) Uani 1 1 d .
H26A H 0.8258 0.2177 0.0855 0.029 Uiso 1 1 calc R
H26B H 0.8695 0.2917 0.0663 0.029 Uiso 1 1 calc R
C27 C 0.8738(3) 0.5055(3) 0.16776(8) 0.0390(12) Uani 1 1 d .
H27A H 0.8670 0.4557 0.1764 0.047 Uiso 1 1 calc R
H27B H 0.9336 0.5485 0.1683 0.047 Uiso 1 1 calc R
C28 C 0.8247(3) 0.5377(3) 0.18042(10) 0.0450(13) Uani 1 1 d .
H28A H 0.8373 0.5912 0.1729 0.054 Uiso 1 1 calc R
H28B H 0.8440 0.5498 0.1973 0.054 Uiso 1 1 calc R
C29 C 0.2168(5) 0.4958(6) 0.11295(15) 0.081(2) Uani 1 1 d .
H29A H 0.2574 0.4764 0.1150 0.097 Uiso 1 1 calc R
H29B H 0.2411 0.5520 0.1202 0.097 Uiso 1 1 calc R
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'
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'
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
O1 Sn1 S3 168.03(11) . .
O1 Sn1 S1 99.23(12) . 3_665
S3 Sn1 S1 91.93(4) . 3_665
O1 Sn1 S2 83.52(12) . .
S3 Sn1 S2 86.17(4) . .
S1 Sn1 S2 170.41(4) 3_665 .
O1 Sn1 S4 77.58(3) . .
S3 Sn1 S4 96.98(5) . .
S1 Sn1 S4 96.41(4) 3_665 .
S2 Sn1 S4 93.15(3) . .
O1 Sn1 S4 77.41(3) . 3_665
S3 Sn1 S4 108.49(5) . 3_665
S1 Sn1 S4 83.01(4) 3_665 3_665
S2 Sn1 S4 88.67(3) . 3_665
S4 Sn1 S4 154.54(3) . 3_665
P1 Cu1 S2 132.04(4) . .
P1 Cu1 S2 120.10(4) . 2_655
S2 Cu1 S2 104.29(4) . 2_655
P2 Cu2 S1 111.22(3) . 3_665
P2 Cu2 S1 111.22(3) . 2_655
S1 Cu2 S1 107.67(3) 3_665 2_655
P2 Cu2 S1 111.22(3) . .
S1 Cu2 S1 107.67(3) 3_665 .
S1 Cu2 S1 107.67(3) 2_655 .
O12 Cl1 O11 109.82(14) . 3_665
O12 Cl1 O11 109.82(14) . .
O11 Cl1 O11 109.12(14) 3_665 .
O12 Cl1 O11 109.82(14) . 2_655
O11 Cl1 O11 109.12(14) 3_665 2_655
O11 Cl1 O11 109.12(14) . 2_655
O22 Cl2 O22 65.7(3) 15 2_665
O22 Cl2 O22 114.3(3) 15 13_565
O22 Cl2 O22 65.6(3) 2_665 13_565
O22 Cl2 O22 114.3(3) 15 14_455
O22 Cl2 O22 179.994(3) 2_665 14_455
O22 Cl2 O22 114.4(3) 13_565 14_455
O22 Cl2 O22 65.7(3) 15 .
O22 Cl2 O22 114.4(3) 2_665 .
O22 Cl2 O22 179.994(3) 13_565 .
O22 Cl2 O22 65.6(3) 14_455 .
O22 Cl2 O22 179.996(5) 15 3_565
O22 Cl2 O22 114.3(3) 2_665 3_565
O22 Cl2 O22 65.7(3) 13_565 3_565
O22 Cl2 O22 65.7(3) 14_455 3_565
O22 Cl2 O22 114.4(3) . 3_565
O22 Cl2 O21 76.0(4) 15 .
O22 Cl2 O21 104.0(4) 2_665 .
O22 Cl2 O21 76.0(4) 13_565 .
O22 Cl2 O21 76.0(4) 14_455 .
O22 Cl2 O21 104.0(4) . .
O22 Cl2 O21 104.0(4) 3_565 .
O22 Cl2 O21 104.0(4) 15 13_565
O22 Cl2 O21 76.0(4) 2_665 13_565
O22 Cl2 O21 104.0(4) 13_565 13_565
O22 Cl2 O21 104.0(4) 14_455 13_565
O22 Cl2 O21 76.0(4) . 13_565
O22 Cl2 O21 76.0(4) 3_565 13_565
O21 Cl2 O21 180.0 . 13_565
O32 Cl3 O32 62.1(7) . 18_545
O32 Cl3 O32 117.9(7) . 2_655
O32 Cl3 O32 62.1(7) 18_545 2_655
O32 Cl3 O32 62.1(7) . 17
O32 Cl3 O32 117.9(7) 18_545 17
O32 Cl3 O32 179.993(4) 2_655 17
O32 Cl3 O32 179.993(11) . 16_655
O32 Cl3 O32 117.9(7) 18_545 16_655
O32 Cl3 O32 62.1(7) 2_655 16_655
O32 Cl3 O32 117.9(7) 17 16_655
O32 Cl3 O32 117.9(7) . 3_665
O32 Cl3 O32 179.99(2) 18_545 3_665
O32 Cl3 O32 117.9(7) 2_655 3_665
O32 Cl3 O32 62.1(7) 17 3_665
O32 Cl3 O32 62.1(7) 16_655 3_665
O32 Cl3 O31 48.1(13) . 16_655
O32 Cl3 O31 60.7(15) 18_545 16_655
O32 Cl3 O31 117.2(17) 2_655 16_655
O32 Cl3 O31 62.8(17) 17 16_655
O32 Cl3 O31 131.9(13) 16_655 16_655
O32 Cl3 O31 119.3(15) 3_665 16_655
O32 Cl3 O31 119.3(15) . 17
O32 Cl3 O31 62.8(17) 18_545 17
O32 Cl3 O31 48.1(13) 2_655 17
O32 Cl3 O31 131.9(13) 17 17
O32 Cl3 O31 60.7(15) 16_655 17
O32 Cl3 O31 117.2(17) 3_665 17
O31 Cl3 O31 83.6(7) 16_655 17
O32 Cl3 O31 117.2(17) . 18_545
O32 Cl3 O31 131.9(13) 18_545 18_545
O32 Cl3 O31 119.3(15) 2_655 18_545
O32 Cl3 O31 60.7(15) 17 18_545
O32 Cl3 O31 62.8(17) 16_655 18_545
O32 Cl3 O31 48.1(13) 3_665 18_545
O31 Cl3 O31 83.6(7) 16_655 18_545
O31 Cl3 O31 83.6(7) 17 18_545
O32 Cl3 O31 62.8(17) . 3_665
O32 Cl3 O31 48.1(13) 18_545 3_665
O32 Cl3 O31 60.7(15) 2_655 3_665
O32 Cl3 O31 119.3(15) 17 3_665
O32 Cl3 O31 117.2(17) 16_655 3_665
O32 Cl3 O31 131.9(13) 3_665 3_665
O31 Cl3 O31 96.4(7) 16_655 3_665
O31 Cl3 O31 96.4(7) 17 3_665
O31 Cl3 O31 179.993(6) 18_545 3_665
O32 Cl3 O31 60.7(15) . 2_655
O32 Cl3 O31 117.2(17) 18_545 2_655
O32 Cl3 O31 131.9(13) 2_655 2_655
O32 Cl3 O31 48.1(13) 17 2_655
O32 Cl3 O31 119.3(15) 16_655 2_655
O32 Cl3 O31 62.8(17) 3_665 2_655
O31 Cl3 O31 96.4(7) 16_655 2_655
O31 Cl3 O31 179.995(3) 17 2_655
O31 Cl3 O31 96.4(7) 18_545 2_655
O31 Cl3 O31 83.6(7) 3_665 2_655
O32 Cl3 O31 131.9(13) . .
O32 Cl3 O31 119.3(15) 18_545 .
O32 Cl3 O31 62.8(17) 2_655 .
O32 Cl3 O31 117.2(17) 17 .
O32 Cl3 O31 48.1(13) 16_655 .
O32 Cl3 O31 60.7(15) 3_665 .
O31 Cl3 O31 179.996(6) 16_655 .
O31 Cl3 O31 96.4(7) 17 .
O31 Cl3 O31 96.4(7) 18_545 .
O31 Cl3 O31 83.6(7) 3_665 .
O31 Cl3 O31 83.6(7) 2_655 .
C28 S1 Cu2 113.13(19) . .
C28 S1 Sn1 96.99(17) . 2_655
Cu2 S1 Sn1 108.28(5) . 2_655
C26 S2 Cu1 112.14(14) . .
C26 S2 Cu1 111.53(14) . 3_665
Cu1 S2 Cu1 117.71(4) . 3_665
C26 S2 Sn1 98.92(14) . .
Cu1 S2 Sn1 105.38(4) . .
Cu1 S2 Sn1 109.21(4) 3_665 .
C24 S3 Sn1 100.08(14) . .
C27 S4 Sn1 104.29(17) . .
C27 S4 Sn1 102.37(17) . 2_655
Sn1 S4 Sn1 85.42(3) . 2_655
C14 P1 C16 104.51(19) . .
C14 P1 C2 105.35(19) . .
C16 P1 C2 102.00(19) . .
C14 P1 Cu1 111.65(12) . .
C16 P1 Cu1 117.95(14) . .
C2 P1 Cu1 114.08(14) . .
C8 P2 C8 105.41(15) 3_665 .
C8 P2 C8 105.41(15) 3_665 2_655
C8 P2 C8 105.41(15) . 2_655
C8 P2 Cu2 113.28(14) 3_665 .
C8 P2 Cu2 113.28(14) . .
C8 P2 Cu2 113.28(14) 2_655 .
Sn1 O1 Sn1 118.36(5) . 3_665
Sn1 O1 Sn1 118.36(5) . 2_655
Sn1 O1 Sn1 118.36(5) 3_665 2_655
Cl2 O21 O22 50.9(3) . 15
Cl2 O21 O22 50.9(3) . 13_565
O22 O21 O22 84.4(5) 15 13_565
Cl2 O21 O22 50.9(3) . 14_455
O22 O21 O22 84.4(5) 15 14_455
O22 O21 O22 84.4(5) 13_565 14_455
Cl2 O22 O22 57.17(17) . 14_455
Cl2 O22 O22 57.18(17) . 15
O22 O22 O22 101.6(9) 14_455 15
Cl2 O22 O21 53.1(4) . 13_565
O22 O22 O21 86.2(5) 14_455 13_565
O22 O22 O21 86.2(5) 15 13_565
O32 O31 O32 66.3(13) 16_655 3_665
O32 O31 Cl3 63.6(8) 16_655 .
O32 O31 Cl3 57.8(8) 3_665 .
O32 O31 O32 64.7(15) 16_655 2_655
O32 O31 O32 110.0(19) 3_665 2_655
Cl3 O31 O32 56.9(9) . 2_655
O31 O32 Cl3 68.3(9) 16_655 .
O31 O32 O31 112(2) 16_655 2_655
Cl3 O32 O31 61.5(9) . 2_655
O31 O32 O32 69(3) 16_655 17
Cl3 O32 O32 59.0(3) . 17
O31 O32 O32 47.5(15) 2_655 17
O31 O32 O32 66(3) 16_655 18_545
Cl3 O32 O32 59.0(4) . 18_545
O31 O32 O32 115.1(14) 2_655 18_545
O32 O32 O32 112(2) 17 18_545
O31 O32 O31 109.1(19) 16_655 3_665
Cl3 O32 O31 60.4(10) . 3_665
O31 O32 O31 82.8(19) 2_655 3_665
O32 O32 O31 114.3(15) 17 3_665
O32 O32 O31 46.8(16) 18_545 3_665
C4 C1 C2 119.9(5) . .
C4 C1 H1A 120.0 . .
C2 C1 H1A 120.0 . .
C15 C2 C1 119.5(4) . .
C15 C2 P1 118.4(3) . .
C1 C2 P1 121.9(3) . .
C21 C3 C4 120.3(5) . .
C21 C3 H3A 119.9 . .
C4 C3 H3A 119.9 . .
C1 C4 C3 120.2(5) . .
C1 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
C8 C5 C7 120.4(5) . .
C8 C5 H5A 119.8 . .
C7 C5 H5A 119.8 . .
C7 C6 C10 119.1(5) . .
C7 C6 H6A 120.5 . .
C10 C6 H6A 120.5 . .
C6 C7 C5 121.0(5) . .
C6 C7 H7A 119.5 . .
C5 C7 H7A 119.5 . .
C5 C8 C9 118.3(4) . .
C5 C8 P2 123.7(4) . .
C9 C8 P2 118.0(3) . .
C8 C9 C10 121.1(4) . .
C8 C9 H9A 119.5 . .
C10 C9 H9A 119.5 . .
C6 C10 C9 120.1(5) . .
C6 C10 H10A 120.0 . .
C9 C10 H10A 120.0 . .
C12 C11 C13 120.6(4) . .
C12 C11 H11A 119.7 . .
C13 C11 H11A 119.7 . .
C11 C12 C20 119.8(4) . .
C11 C12 H12A 120.1 . .
C20 C12 H12A 120.1 . .
C11 C13 C14 120.3(4) . .
C11 C13 H13A 119.8 . .
C14 C13 H13A 119.8 . .
C19 C14 C13 118.4(4) . .
C19 C14 P1 120.3(3) . .
C13 C14 P1 120.6(3) . .
C2 C15 C21 120.2(4) . .
C2 C15 H15A 119.9 . .
C21 C15 H15A 119.9 . .
C17 C16 C23 119.3(4) . .
C17 C16 P1 119.5(3) . .
C23 C16 P1 121.1(3) . .
C16 C17 C22 120.2(5) . .
C16 C17 H17A 119.9 . .
C22 C17 H17A 119.9 . .
C22 C18 C25 120.9(5) . .
C22 C18 H18A 119.6 . .
C25 C18 H18A 119.6 . .
C20 C19 C14 121.0(4) . .
C20 C19 H19A 119.5 . .
C14 C19 H19A 119.5 . .
C19 C20 C12 119.9(5) . .
C19 C20 H20A 120.1 . .
C12 C20 H20A 120.1 . .
C3 C21 C15 119.8(5) . .
C3 C21 H21A 120.1 . .
C15 C21 H21A 120.1 . .
C18 C22 C17 119.7(5) . .
C18 C22 H22A 120.1 . .
C17 C22 H22A 120.1 . .
C25 C23 C16 120.3(5) . .
C25 C23 H23A 119.9 . .
C16 C23 H23A 119.9 . .
C26 C24 S3 114.4(3) . .
C26 C24 H24A 108.7 . .
S3 C24 H24A 108.7 . .
C26 C24 H24B 108.7 . .
S3 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
C18 C25 C23 119.6(5) . .
C18 C25 H25A 120.2 . .
C23 C25 H25A 120.2 . .
C24 C26 S2 111.5(3) . .
C24 C26 H26A 109.3 . .
S2 C26 H26A 109.3 . .
C24 C26 H26B 109.3 . .
S2 C26 H26B 109.3 . .
H26A C26 H26B 108.0 . .
C28 C27 S4 113.3(4) . .
C28 C27 H27A 108.9 . .
S4 C27 H27A 108.9 . .
C28 C27 H27B 108.9 . .
S4 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
C27 C28 S1 115.9(3) . .
C27 C28 H28A 108.3 . .
S1 C28 H28A 108.3 . .
C27 C28 H28B 108.3 . .
S1 C28 H28B 108.3 . .
H28A C28 H28B 107.4 . .
Cl5 C29 Cl4 113.0(4) . .
Cl5 C29 H29A 109.0 . .
Cl4 C29 H29A 109.0 . .
Cl5 C29 H29B 109.0 . .
Cl4 C29 H29B 109.0 . .
H29A C29 H29B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.0626(6) .
Sn1 S3 2.4367(12) .
Sn1 S1 2.4940(12) 3_665
Sn1 S2 2.5869(10) .
Sn1 S4 2.6080(13) .
Sn1 S4 2.6152(13) 3_665
Cu1 P1 2.2303(11) .
Cu1 S2 2.2806(10) .
Cu1 S2 2.3046(10) 2_655
Cu2 P2 2.2500(19) .
Cu2 S1 2.3032(12) 3_665
Cu2 S1 2.3032(12) 2_655
Cu2 S1 2.3032(12) .
Cl1 O12 1.432(5) .
Cl1 O11 1.443(3) 3_665
Cl1 O11 1.443(3) .
Cl1 O11 1.443(3) 2_655
Cl2 O22 1.419(7) 15
Cl2 O22 1.418(7) 2_665
Cl2 O22 1.418(7) 13_565
Cl2 O22 1.418(7) 14_455
Cl2 O22 1.418(7) .
Cl2 O22 1.418(7) 3_565
Cl2 O21 1.463(8) .
Cl2 O21 1.463(8) 13_565
Cl3 O32 1.405(9) .
Cl3 O32 1.405(9) 18_545
Cl3 O32 1.405(10) 2_655
Cl3 O32 1.405(10) 17
Cl3 O32 1.405(9) 16_655
Cl3 O32 1.405(9) 3_665
Cl3 O31 1.458(7) 16_655
Cl3 O31 1.458(7) 17
Cl3 O31 1.458(7) 18_545
Cl3 O31 1.458(7) 3_665
Cl3 O31 1.458(7) 2_655
Cl3 O31 1.458(7) .
Cl4 C29 1.730(8) .
Cl5 C29 1.717(8) .
S1 C28 1.847(5) .
S1 Sn1 2.4941(12) 2_655
S2 C26 1.833(4) .
S2 Cu1 2.3046(10) 3_665
S3 C24 1.815(5) .
S4 C27 1.832(5) .
S4 Sn1 2.6152(13) 2_655
P1 C14 1.820(4) .
P1 C16 1.821(4) .
P1 C2 1.828(4) .
P2 C8 1.824(4) 3_665
P2 C8 1.824(4) .
P2 C8 1.824(4) 2_655
O1 Sn1 2.0626(7) 3_665
O1 Sn1 2.0626(6) 2_655
O21 O22 1.774(11) 15
O21 O22 1.774(11) 13_565
O21 O22 1.774(11) 14_455
O22 O22 1.538(10) 14_455
O22 O22 1.538(10) 15
O22 O21 1.774(11) 13_565
O31 O32 1.17(3) 16_655
O31 O32 1.45(3) 3_665
O31 O32 1.49(4) 2_655
O32 O31 1.17(3) 16_655
O32 O31 1.45(3) 2_655
O32 O32 1.449(17) 17
O32 O32 1.449(17) 18_545
O32 O31 1.49(4) 3_665
C1 C4 1.380(6) .
C1 C2 1.402(6) .
C1 H1A 0.9300 .
C2 C15 1.380(6) .
C3 C21 1.381(8) .
C3 C4 1.383(8) .
C3 H3A 0.9300 .
C4 H4A 0.9300 .
C5 C8 1.382(6) .
C5 C7 1.388(7) .
C5 H5A 0.9300 .
C6 C7 1.370(8) .
C6 C10 1.380(7) .
C6 H6A 0.9300 .
C7 H7A 0.9300 .
C8 C9 1.384(6) .
C9 C10 1.388(6) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.373(7) .
C11 C13 1.393(6) .
C11 H11A 0.9300 .
C12 C20 1.387(7) .
C12 H12A 0.9300 .
C13 C14 1.395(6) .
C13 H13A 0.9300 .
C14 C19 1.394(6) .
C15 C21 1.397(6) .
C15 H15A 0.9300 .
C16 C17 1.386(6) .
C16 C23 1.394(6) .
C17 C22 1.390(6) .
C17 H17A 0.9300 .
C18 C22 1.374(8) .
C18 C25 1.379(8) .
C18 H18A 0.9300 .
C19 C20 1.387(6) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C25 1.385(7) .
C23 H23A 0.9300 .
C24 C26 1.508(6) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 H25A 0.9300 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.462(8) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
