#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:50:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179080 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/42/4304265.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_4304265
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            'C72 H66 Cl0 Cu2 N0 O3 P2 S6 Sn'
_chemical_formula_weight         1479.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_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            3
_cell_length_a                   13.5176(10)
_cell_length_b                   13.5176(10)
_cell_length_c                   32.999(4)
_cell_measurement_reflns_used    84
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.13
_cell_volume                     5221.9(8)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            4204
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.232
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .7111
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombus
_exptl_crystal_F_000             2268
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .16
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         2042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.229
_refine_ls_R_factor_gt           0.0684
_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)+(0.0092P)²+79.8574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1473
_reflns_number_gt                1575
_reflns_number_total             2042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701741m-file002_3.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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_original_cell_volume        5222.0(8)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4304265
#BEGIN Tags that were not found in dictionaries:
_refine_ls_r_factor_ref          0.0994
#END Tags that were not found in dictionaries
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.6667 0.3333 0.3333 0.0354(3) Uani 1 6 d S . .
Cu1 Cu 0.6667 0.3333 0.23802(5) 0.0555(5) Uani 1 3 d S . .
S1 S 0.64250(16) 0.17983(15) 0.28219(5) 0.0445(5) Uani 1 1 d . . .
P1 P 0.6667 0.3333 0.17143(10) 0.0466(8) Uani 1 3 d S . .
O1A O 0.319(10) 0.639(3) 0.1760(9) 0.045(6) Uani 0.17 1 d P . 1
O1B O 0.280(2) 0.674(2) 0.1019(10) 0.045(6) Uani 0.17 1 d P . 2
O1C O 0.309(4) 0.678(5) 0.1405(10) 0.045(6) Uani 0.17 1 d P . 3
C1 C 0.5040(7) 0.0588(6) 0.2875(2) 0.0510(19) Uani 1 1 d . . .
C2 C 0.4879(9) -0.0294(7) 0.3125(3) 0.076(3) Uani 1 1 d . . .
H2A H 0.5484 -0.0243 0.3276 0.091 Uiso 1 1 calc R . .
C3 C 0.3807(11) -0.1258(9) 0.3150(3) 0.103(4) Uani 1 1 d . . .
H3A H 0.3704 -0.1853 0.3319 0.123 Uiso 1 1 calc R . .
C4 C 0.2912(10) -0.1362(10) 0.2938(4) 0.104(4) Uani 1 1 d . . .
H4A H 0.2201 -0.2021 0.2958 0.125 Uiso 1 1 calc R . .
C5 C 0.3062(9) -0.0496(9) 0.2696(4) 0.090(3) Uani 1 1 d . . .
H5A H 0.2443 -0.0561 0.2551 0.108 Uiso 1 1 calc R . .
C6 C 0.4105(7) 0.0480(8) 0.2658(3) 0.069(2) Uani 1 1 d . . .
H6A H 0.4188 0.1066 0.2488 0.082 Uiso 1 1 calc R . .
C7 C 0.7967(7) 0.3505(7) 0.1486(2) 0.0510(19) Uani 1 1 d . . .
C8 C 0.7987(9) 0.2946(9) 0.1134(3) 0.085(3) Uani 1 1 d . . .
H8A H 0.7306 0.2456 0.1003 0.102 Uiso 1 1 calc R . .
C9 C 0.9001(10) 0.3111(10) 0.0979(4) 0.095(4) Uani 1 1 d . . .
H9A H 0.9002 0.2745 0.0741 0.115 Uiso 1 1 calc R . .
C10 C 1.0003(9) 0.3804(9) 0.1171(3) 0.083(3) Uani 1 1 d . . .
H10A H 1.0684 0.3879 0.1075 0.100 Uiso 1 1 calc R . .
C11 C 0.9995(9) 0.4379(11) 0.1500(3) 0.098(4) Uani 1 1 d . . .
H11A H 1.0683 0.4893 0.1623 0.118 Uiso 1 1 calc R . .
C12 C 0.8989(7) 0.4224(9) 0.1661(3) 0.076(3) Uani 1 1 d . . .
H12A H 0.9009 0.4619 0.1894 0.092 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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
S1 Sn1 S1 81.43(6) . 2_655 ?
S1 Sn1 S1 81.43(6) . 3_665 ?
S1 Sn1 S1 81.43(6) 2_655 3_665 ?
S1 Sn1 S1 98.57(6) . 18_545 ?
S1 Sn1 S1 98.57(6) 2_655 18_545 ?
S1 Sn1 S1 180.0 3_665 18_545 ?
S1 Sn1 S1 98.57(6) . 17 ?
S1 Sn1 S1 180.0 2_655 17 ?
S1 Sn1 S1 98.57(6) 3_665 17 ?
S1 Sn1 S1 81.43(6) 18_545 17 ?
S1 Sn1 S1 180.0 . 16_655 ?
S1 Sn1 S1 98.57(6) 2_655 16_655 ?
S1 Sn1 S1 98.57(6) 3_665 16_655 ?
S1 Sn1 S1 81.43(6) 18_545 16_655 ?
S1 Sn1 S1 81.43(6) 17 16_655 ?
S1 Sn1 Cu1 48.87(4) . . ?
S1 Sn1 Cu1 48.87(4) 2_655 . ?
S1 Sn1 Cu1 48.87(4) 3_665 . ?
S1 Sn1 Cu1 131.13(4) 18_545 . ?
S1 Sn1 Cu1 131.13(4) 17 . ?
S1 Sn1 Cu1 131.13(4) 16_655 . ?
S1 Sn1 Cu1 131.13(4) . 16_655 ?
S1 Sn1 Cu1 131.13(4) 2_655 16_655 ?
S1 Sn1 Cu1 131.13(4) 3_665 16_655 ?
S1 Sn1 Cu1 48.87(4) 18_545 16_655 ?
S1 Sn1 Cu1 48.87(4) 17 16_655 ?
S1 Sn1 Cu1 48.87(4) 16_655 16_655 ?
Cu1 Sn1 Cu1 180.0 . 16_655 ?
P1 Cu1 S1 127.02(5) . . ?
P1 Cu1 S1 127.02(5) . 2_655 ?
S1 Cu1 S1 87.49(7) . 2_655 ?
P1 Cu1 S1 127.02(5) . 3_665 ?
S1 Cu1 S1 87.49(7) . 3_665 ?
S1 Cu1 S1 87.49(7) 2_655 3_665 ?
P1 Cu1 Sn1 180.0 . . ?
S1 Cu1 Sn1 52.98(5) . . ?
S1 Cu1 Sn1 52.98(5) 2_655 . ?
S1 Cu1 Sn1 52.98(5) 3_665 . ?
C1 S1 Cu1 118.5(3) . . ?
C1 S1 Sn1 109.3(2) . . ?
Cu1 S1 Sn1 78.15(6) . . ?
C7 P1 C7 104.0(3) . 3_665 ?
C7 P1 C7 104.0(3) . 2_655 ?
C7 P1 C7 104.0(3) 3_665 2_655 ?
C7 P1 Cu1 114.5(3) . . ?
C7 P1 Cu1 114.5(3) 3_665 . ?
C7 P1 Cu1 114.5(3) 2_655 . ?
O1A O1A O1A 60.00(9) 3_565 2_665 ?
O1A O1A O1A 90.00(10) 3_565 15 ?
O1A O1A O1A 66(3) 2_665 15 ?
O1A O1A O1A 66(3) 3_565 14_455 ?
O1A O1A O1A 90.00(10) 2_665 14_455 ?
O1A O1A O1A 48(6) 15 14_455 ?
O1A O1A O1A 51(3) 3_565 13_565 ?
O1A O1A O1A 51(3) 2_665 13_565 ?
O1A O1A O1A 39(3) 15 13_565 ?
O1A O1A O1A 39(3) 14_455 13_565 ?
O1B O1B O1B 60.000(4) 3_565 2_665 ?
O1C O1C O1C 60.00(3) 2_665 3_565 ?
O1C O1C O1C 77.8(9) 2_665 15 ?
O1C O1C O1C 90.001(7) 3_565 15 ?
O1C O1C O1C 90.002(5) 2_665 14_455 ?
O1C O1C O1C 77.8(9) 3_565 14_455 ?
O1C O1C O1C 24.3(17) 15 14_455 ?
C2 C1 C6 118.4(8) . . ?
C2 C1 S1 119.7(7) . . ?
C6 C1 S1 121.9(6) . . ?
C1 C2 C3 119.3(10) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C4 C3 C2 122.1(11) . . ?
C4 C3 H3A 118.9 . . ?
C2 C3 H3A 118.9 . . ?
C3 C4 C5 118.8(10) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
C4 C5 C6 121.8(11) . . ?
C4 C5 H5A 119.1 . . ?
C6 C5 H5A 119.1 . . ?
C5 C6 C1 119.6(9) . . ?
C5 C6 H6A 120.2 . . ?
C1 C6 H6A 120.2 . . ?
C12 C7 C8 117.0(8) . . ?
C12 C7 P1 119.2(6) . . ?
C8 C7 P1 123.8(7) . . ?
C9 C8 C7 120.7(9) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C10 C9 C8 120.6(10) . . ?
C10 C9 H9A 119.7 . . ?
C8 C9 H9A 119.7 . . ?
C11 C10 C9 118.9(10) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C12 121.3(10) . . ?
C10 C11 H11A 119.4 . . ?
C12 C11 H11A 119.4 . . ?
C7 C12 C11 121.4(9) . . ?
C7 C12 H12A 119.3 . . ?
C11 C12 H12A 119.3 . . ?
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 2.5657(17) . ?
Sn1 S1 2.5657(18) 2_655 ?
Sn1 S1 2.5657(17) 3_665 ?
Sn1 S1 2.5657(17) 18_545 ?
Sn1 S1 2.5656(18) 17 ?
Sn1 S1 2.5656(18) 16_655 ?
Sn1 Cu1 3.1452(16) . ?
Sn1 Cu1 3.1451(16) 16_655 ?
Cu1 P1 2.198(4) . ?
Cu1 S1 2.421(2) . ?
Cu1 S1 2.421(2) 2_655 ?
Cu1 S1 2.421(2) 3_665 ?
S1 C1 1.775(8) . ?
P1 C7 1.817(8) . ?
P1 C7 1.817(8) 3_665 ?
P1 C7 1.817(8) 2_655 ?
O1A O1A 0.56(5) 3_565 ?
O1A O1A 0.56(5) 2_665 ?
O1A O1A 0.69(5) 15 ?
O1A O1A 0.69(5) 14_455 ?
O1A O1A 0.89(6) 13_565 ?
O1B O1B 1.35(4) 3_565 ?
O1B O1B 1.35(4) 2_665 ?
O1C O1C 0.75(5) 2_665 ?
O1C O1C 0.75(5) 3_565 ?
O1C O1C 1.78(7) 15 ?
O1C O1C 1.78(7) 14_455 ?
C1 C2 1.375(11) . ?
C1 C6 1.395(11) . ?
C2 C3 1.384(14) . ?
C2 H2A 0.9300 . ?
C3 C4 1.343(16) . ?
C3 H3A 0.9300 . ?
C4 C5 1.347(15) . ?
C4 H4A 0.9300 . ?
C5 C6 1.373(12) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C12 1.358(11) . ?
C7 C8 1.393(11) . ?
C8 C9 1.373(13) . ?
C8 H8A 0.9300 . ?
C9 C10 1.358(14) . ?
C9 H9A 0.9300 . ?
C10 C11 1.339(14) . ?
C10 H10A 0.9300 . ?
C11 C12 1.374(13) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
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
_geom_torsion_publ_flag
S1 Sn1 Cu1 P1 151(100) . . . . ?
S1 Sn1 Cu1 P1 -89(63) 2_655 . . . ?
S1 Sn1 Cu1 P1 31(41) 3_665 . . . ?
S1 Sn1 Cu1 P1 -149(63) 18_545 . . . ?
S1 Sn1 Cu1 P1 91(100) 17 . . . ?
S1 Sn1 Cu1 P1 -29(41) 16_655 . . . ?
Cu1 Sn1 Cu1 P1 -171(65) 16_655 . . . ?
S1 Sn1 Cu1 S1 120.0 2_655 . . . ?
S1 Sn1 Cu1 S1 -120.0 3_665 . . . ?
S1 Sn1 Cu1 S1 60.0 18_545 . . . ?
S1 Sn1 Cu1 S1 -60.0 17 . . . ?
S1 Sn1 Cu1 S1 180.0 16_655 . . . ?
Cu1 Sn1 Cu1 S1 38(3) 16_655 . . . ?
S1 Sn1 Cu1 S1 -120.0 . . . 2_655 ?
S1 Sn1 Cu1 S1 120.0 3_665 . . 2_655 ?
S1 Sn1 Cu1 S1 -60.0 18_545 . . 2_655 ?
S1 Sn1 Cu1 S1 180.0 17 . . 2_655 ?
S1 Sn1 Cu1 S1 60.0 16_655 . . 2_655 ?
Cu1 Sn1 Cu1 S1 -82(3) 16_655 . . 2_655 ?
S1 Sn1 Cu1 S1 120.0 . . . 3_665 ?
S1 Sn1 Cu1 S1 -120.0 2_655 . . 3_665 ?
S1 Sn1 Cu1 S1 180.0 18_545 . . 3_665 ?
S1 Sn1 Cu1 S1 60.0 17 . . 3_665 ?
S1 Sn1 Cu1 S1 -60.0 16_655 . . 3_665 ?
Cu1 Sn1 Cu1 S1 158(3) 16_655 . . 3_665 ?
P1 Cu1 S1 C1 -74.3(3) . . . . ?
S1 Cu1 S1 C1 149.5(3) 2_655 . . . ?
S1 Cu1 S1 C1 61.9(3) 3_665 . . . ?
Sn1 Cu1 S1 C1 105.7(3) . . . . ?
P1 Cu1 S1 Sn1 180.0 . . . . ?
S1 Cu1 S1 Sn1 43.80(3) 2_655 . . . ?
S1 Cu1 S1 Sn1 -43.80(3) 3_665 . . . ?
S1 Sn1 S1 C1 -157.6(3) 2_655 . . . ?
S1 Sn1 S1 C1 -75.1(3) 3_665 . . . ?
S1 Sn1 S1 C1 104.9(3) 18_545 . . . ?
S1 Sn1 S1 C1 22.4(3) 17 . . . ?
S1 Sn1 S1 C1 -163(9) 16_655 . . . ?
Cu1 Sn1 S1 C1 -116.3(3) . . . . ?
Cu1 Sn1 S1 C1 63.7(3) 16_655 . . . ?
S1 Sn1 S1 Cu1 -41.27(2) 2_655 . . . ?
S1 Sn1 S1 Cu1 41.27(2) 3_665 . . . ?
S1 Sn1 S1 Cu1 -138.72(2) 18_545 . . . ?
S1 Sn1 S1 Cu1 138.73(2) 17 . . . ?
S1 Sn1 S1 Cu1 -46(9) 16_655 . . . ?
Cu1 Sn1 S1 Cu1 180.0 16_655 . . . ?
S1 Cu1 P1 C7 -75.4(3) . . . . ?
S1 Cu1 P1 C7 44.6(3) 2_655 . . . ?
S1 Cu1 P1 C7 164.6(3) 3_665 . . . ?
Sn1 Cu1 P1 C7 134(100) . . . . ?
S1 Cu1 P1 C7 44.6(3) . . . 3_665 ?
S1 Cu1 P1 C7 164.6(3) 2_655 . . 3_665 ?
S1 Cu1 P1 C7 -75.4(3) 3_665 . . 3_665 ?
Sn1 Cu1 P1 C7 -106(100) . . . 3_665 ?
S1 Cu1 P1 C7 164.6(3) . . . 2_655 ?
S1 Cu1 P1 C7 -75.4(3) 2_655 . . 2_655 ?
S1 Cu1 P1 C7 44.6(3) 3_665 . . 2_655 ?
Sn1 Cu1 P1 C7 14(100) . . . 2_655 ?
Cu1 S1 C1 C2 -179.7(6) . . . . ?
Sn1 S1 C1 C2 -93.0(7) . . . . ?
Cu1 S1 C1 C6 2.6(8) . . . . ?
Sn1 S1 C1 C6 89.3(7) . . . . ?
C6 C1 C2 C3 0.7(14) . . . . ?
S1 C1 C2 C3 -177.0(8) . . . . ?
C1 C2 C3 C4 -0.2(18) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C3 C4 C5 C6 0.7(19) . . . . ?
C4 C5 C6 C1 -0.1(17) . . . . ?
C2 C1 C6 C5 -0.6(13) . . . . ?
S1 C1 C6 C5 177.1(7) . . . . ?
C7 P1 C7 C12 -163.5(7) 3_665 . . . ?
C7 P1 C7 C12 87.8(9) 2_655 . . . ?
Cu1 P1 C7 C12 -37.8(8) . . . . ?
C7 P1 C7 C8 17.2(9) 3_665 . . . ?
C7 P1 C7 C8 -91.4(7) 2_655 . . . ?
Cu1 P1 C7 C8 142.9(7) . . . . ?
C12 C7 C8 C9 1.0(15) . . . . ?
P1 C7 C8 C9 -179.7(8) . . . . ?
C7 C8 C9 C10 1.4(18) . . . . ?
C8 C9 C10 C11 -4.0(18) . . . . ?
C9 C10 C11 C12 4.2(18) . . . . ?
C8 C7 C12 C11 -0.9(15) . . . . ?
P1 C7 C12 C11 179.8(9) . . . . ?
C10 C11 C12 C7 -1.8(18) . . . . ?
