#------------------------------------------------------------------------------
#$Date: 2023-06-15 11:41:31 +0300 (Thu, 15 Jun 2023) $
#$Revision: 284476 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/73/8107371.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_8107371
loop_
_publ_author_name
'Xiaolin, Sun'
'Yuhua, Guo'
'Youzhu, Yu'
_publ_section_title
;
 Crystal structure of bis(μ 3-diphenylphosphinato)-tetrakis(μ
 2-diphenylphosphinato)-bis(diphenylphosphinato)-bis(μ
 2-hydroxo)dicopper(II)-ditin(IV), C104H100O18P8Cu2Sn2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              123
_journal_page_last               125
_journal_paper_doi               10.1515/ncrs-2022-0498
_journal_volume                  238
_journal_year                    2023
_chemical_formula_sum            'C104 H100 Cu2 O18 P8 Sn2'
_chemical_formula_weight         2250.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                112.5710(10)
_cell_angle_beta                 104.7070(10)
_cell_angle_gamma                104.4330(10)
_cell_formula_units_Z            1
_cell_length_a                   13.8254(6)
_cell_length_b                   14.1283(6)
_cell_length_c                   15.1940(7)
_cell_measurement_reflns_used    9947
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.92
_cell_volume                     2442.88(19)
_computing_cell_refinement       'Bruker SAINT [2]'
_computing_data_collection       'Bruker APEX2 [1]'
_computing_data_reduction        'Bruker SAINT [2]'
_computing_molecular_graphics    'SHELXL-2013 [4]'
_computing_publication_material  'SHELXL-2013 [4]'
_computing_structure_refinement  'SHELXL-2013 [3]'
_computing_structure_solution    'SHELXS-2013 [3]'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18096
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.348
_diffrn_reflns_theta_min         1.577
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_description       block
_exptl_crystal_F_000             1146
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         12083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0551P)²+0.8318P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0955
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10608
_reflns_number_total             12083
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0498_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        2442.87(19)
_cod_database_code               8107371
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.797
_shelx_estimated_absorpt_t_max   0.822
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.21621(2) 0.35226(2) 0.26925(2) 0.01149(5) Uani 1 1 d . . . . .
Cu1 Cu 0.47856(2) 0.37813(2) 0.42376(2) 0.01181(7) Uani 1 1 d . . . . .
P1 P 0.67875(5) 0.36257(5) 0.58900(4) 0.01444(12) Uani 1 1 d . . . . .
P2 P 0.28310(5) 0.14490(5) 0.27977(4) 0.01461(12) Uani 1 1 d . . . . .
P3 P 0.31067(5) 0.35090(5) 0.08609(4) 0.01586(12) Uani 1 1 d . . . . .
P4 P 0.69614(5) 0.57277(5) 0.47084(4) 0.01280(11) Uani 1 1 d . . . . .
O1 O 0.75319(14) 0.47774(14) 0.67836(13) 0.0203(4) Uani 1 1 d . . . . .
O2 O 0.59604(13) 0.35223(14) 0.49623(13) 0.0180(3) Uani 1 1 d . . . . .
O3 O 0.21024(13) 0.18690(13) 0.22405(12) 0.0165(3) Uani 1 1 d . . . . .
O4 O 0.37366(13) 0.23178(14) 0.38295(12) 0.0182(3) Uani 1 1 d . . . . .
O5 O 0.37730(13) 0.39539(14) 0.32333(13) 0.0154(3) Uani 1 1 d . . . . .
O6 O 0.22206(13) 0.33909(14) 0.12925(12) 0.0174(3) Uani 1 1 d . . . . .
O7 O 0.42536(14) 0.41104(16) 0.16332(13) 0.0229(4) Uani 1 1 d . . . . .
O8 O 0.57713(12) 0.52506(13) 0.45200(12) 0.0138(3) Uani 1 1 d . . . . .
O9 O 0.77677(13) 0.62533(14) 0.58179(12) 0.0178(3) Uani 1 1 d . . . . .
C1 C 0.2806(2) 0.4142(2) 0.00541(19) 0.0202(5) Uani 1 1 d . . . . .
C2 C 0.1745(2) 0.3758(2) -0.0644(2) 0.0292(6) Uani 1 1 d . . . . .
H2 H 0.1194 0.3213 -0.0655 0.035 Uiso 1 1 calc R U . . .
C3 C 0.1503(3) 0.4179(3) -0.1319(2) 0.0372(7) Uani 1 1 d . . . . .
H3 H 0.0788 0.3941 -0.1761 0.045 Uiso 1 1 calc R U . . .
C4 C 0.2324(3) 0.4950(3) -0.1336(3) 0.0449(8) Uani 1 1 d . . . . .
H4 H 0.2166 0.5217 -0.1804 0.054 Uiso 1 1 calc R U . . .
C5 C 0.3373(3) 0.5325(3) -0.0666(3) 0.0519(10) Uani 1 1 d . . . . .
H5A H 0.3923 0.5849 -0.0679 0.062 Uiso 1 1 calc R U . . .
C6 C 0.3623(3) 0.4927(3) 0.0037(3) 0.0369(7) Uani 1 1 d . . . . .
H6 H 0.4336 0.5189 0.0494 0.044 Uiso 1 1 calc R U . . .
C7 C 0.2845(2) 0.2110(2) -0.00629(18) 0.0205(5) Uani 1 1 d . . . . .
C8 C 0.3439(2) 0.1949(3) -0.0687(2) 0.0294(6) Uani 1 1 d . . . . .
H8 H 0.3988 0.2557 -0.0597 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3214(3) 0.0890(3) -0.1440(2) 0.0381(7) Uani 1 1 d . . . . .
H9 H 0.3604 0.0790 -0.1862 0.046 Uiso 1 1 calc R U . . .
C10 C 0.2412(3) -0.0019(3) -0.1567(2) 0.0394(8) Uani 1 1 d . . . . .
H10 H 0.2265 -0.0730 -0.2070 0.047 Uiso 1 1 calc R U . . .
C11 C 0.1826(3) 0.0129(3) -0.0942(2) 0.0384(7) Uani 1 1 d . . . . .
H11 H 0.1290 -0.0482 -0.1023 0.046 Uiso 1 1 calc R U . . .
C12 C 0.2043(2) 0.1194(2) -0.0195(2) 0.0289(6) Uani 1 1 d . . . . .
H12 H 0.1645 0.1292 0.0219 0.035 Uiso 1 1 calc R U . . .
C13 C 0.71713(19) 0.6735(2) 0.42610(18) 0.0160(4) Uani 1 1 d . . . . .
C14 C 0.6431(2) 0.6530(2) 0.3325(2) 0.0270(6) Uani 1 1 d . . . . .
H14 H 0.5787 0.5903 0.2965 0.032 Uiso 1 1 calc R U . . .
C15 C 0.6657(3) 0.7259(3) 0.2933(2) 0.0366(7) Uani 1 1 d . . . . .
H15 H 0.6164 0.7118 0.2308 0.044 Uiso 1 1 calc R U . . .
C16 C 0.7612(3) 0.8198(3) 0.3468(3) 0.0369(7) Uani 1 1 d . . . . .
H16 H 0.7758 0.8684 0.3201 0.044 Uiso 1 1 calc R U . . .
C17 C 0.8347(2) 0.8414(3) 0.4396(3) 0.0345(7) Uani 1 1 d . . . . .
H17 H 0.8985 0.9048 0.4755 0.041 Uiso 1 1 calc R U . . .
C18 C 0.8134(2) 0.7683(2) 0.4795(2) 0.0242(5) Uani 1 1 d . . . . .
H18 H 0.8633 0.7827 0.5418 0.029 Uiso 1 1 calc R U . . .
C19 C 0.72892(18) 0.4652(2) 0.38927(18) 0.0152(4) Uani 1 1 d . . . . .
C20 C 0.6567(2) 0.3916(2) 0.28690(19) 0.0197(5) Uani 1 1 d . . . . .
H20 H 0.5892 0.3945 0.2623 0.024 Uiso 1 1 calc R U . . .
C21 C 0.6856(2) 0.3141(2) 0.2220(2) 0.0247(5) Uani 1 1 d . . . . .
H21 H 0.6374 0.2652 0.1539 0.030 Uiso 1 1 calc R U . . .
C22 C 0.7859(2) 0.3090(2) 0.2578(2) 0.0287(6) Uani 1 1 d . . . . .
H22 H 0.8051 0.2573 0.2137 0.034 Uiso 1 1 calc R U . . .
C23 C 0.8574(2) 0.3810(2) 0.3592(2) 0.0293(6) Uani 1 1 d . . . . .
H23 H 0.9245 0.3771 0.3835 0.035 Uiso 1 1 calc R U . . .
C24 C 0.8294(2) 0.4589(2) 0.4249(2) 0.0227(5) Uani 1 1 d . . . . .
H24 H 0.8778 0.5072 0.4931 0.027 Uiso 1 1 calc R U . . .
C25 C 0.6145(2) 0.2802(2) 0.63956(19) 0.0191(5) Uani 1 1 d . . . . .
C26 C 0.5199(2) 0.1856(2) 0.5730(2) 0.0301(6) Uani 1 1 d . . . . .
H26 H 0.4845 0.1712 0.5056 0.036 Uiso 1 1 calc R U . . .
C27 C 0.4784(3) 0.1129(3) 0.6072(3) 0.0400(8) Uani 1 1 d . . . . .
H27 H 0.4156 0.0494 0.5623 0.048 Uiso 1 1 calc R U . . .
C28 C 0.5293(3) 0.1341(3) 0.7067(3) 0.0399(7) Uani 1 1 d . . . . .
H28 H 0.5023 0.0838 0.7285 0.048 Uiso 1 1 calc R U . . .
C29 C 0.6211(3) 0.2302(3) 0.7749(3) 0.0450(9) Uani 1 1 d . . . . .
H29 H 0.6538 0.2461 0.8432 0.054 Uiso 1 1 calc R U . . .
C30 C 0.6644(2) 0.3031(3) 0.7408(2) 0.0343(7) Uani 1 1 d . . . . .
H30 H 0.7268 0.3670 0.7861 0.041 Uiso 1 1 calc R U . . .
C31 C 0.76616(19) 0.2978(2) 0.54313(18) 0.0177(5) Uani 1 1 d . . . . .
C32 C 0.7188(2) 0.1932(2) 0.4562(2) 0.0246(5) Uani 1 1 d . . . . .
H32 H 0.6438 0.1589 0.4217 0.029 Uiso 1 1 calc R U . . .
C33 C 0.7842(3) 0.1402(3) 0.4210(2) 0.0339(7) Uani 1 1 d . . . . .
H33 H 0.7525 0.0698 0.3635 0.041 Uiso 1 1 calc R U . . .
C34 C 0.8960(3) 0.1915(3) 0.4711(2) 0.0340(7) Uani 1 1 d . . . . .
H34 H 0.9394 0.1564 0.4467 0.041 Uiso 1 1 calc R U . . .
C35 C 0.9430(2) 0.2958(3) 0.5579(2) 0.0310(6) Uani 1 1 d . . . . .
H35 H 1.0181 0.3305 0.5916 0.037 Uiso 1 1 calc R U . . .
C36 C 0.8786(2) 0.3480(2) 0.5942(2) 0.0228(5) Uani 1 1 d . . . . .
H36 H 0.9106 0.4172 0.6532 0.027 Uiso 1 1 calc R U . . .
C37 C 0.34275(19) 0.0715(2) 0.19781(18) 0.0180(5) Uani 1 1 d . . . . .
C38 C 0.4537(2) 0.1173(2) 0.2218(2) 0.0298(6) Uani 1 1 d . . . . .
H38 H 0.4967 0.1869 0.2790 0.036 Uiso 1 1 calc R U . . .
C39 C 0.5002(2) 0.0596(3) 0.1608(3) 0.0360(7) Uani 1 1 d . . . . .
H39 H 0.5740 0.0913 0.1766 0.043 Uiso 1 1 calc R U . . .
C40 C 0.4377(2) -0.0448(2) 0.0767(2) 0.0280(6) Uani 1 1 d . . . . .
H40 H 0.4693 -0.0831 0.0360 0.034 Uiso 1 1 calc R U . . .
C41 C 0.3279(2) -0.0919(3) 0.0535(2) 0.0320(6) Uani 1 1 d . . . . .
H41 H 0.2856 -0.1625 -0.0023 0.038 Uiso 1 1 calc R U . . .
C42 C 0.2812(2) -0.0339(2) 0.1131(2) 0.0283(6) Uani 1 1 d . . . . .
H42 H 0.2072 -0.0657 0.0965 0.034 Uiso 1 1 calc R U . . .
C43 C 0.1947(2) 0.0399(2) 0.29432(18) 0.0184(5) Uani 1 1 d . . . . .
C44 C 0.2348(2) -0.0203(2) 0.3373(2) 0.0266(6) Uani 1 1 d . . . . .
H44 H 0.3087 -0.0053 0.3602 0.032 Uiso 1 1 calc R U . . .
C45 C 0.1649(3) -0.1028(3) 0.3460(2) 0.0345(7) Uani 1 1 d . . . . .
H45 H 0.1921 -0.1429 0.3747 0.041 Uiso 1 1 calc R U . . .
C46 C 0.0554(3) -0.1252(3) 0.3124(2) 0.0370(7) Uani 1 1 d . . . . .
H46 H 0.0092 -0.1794 0.3197 0.044 Uiso 1 1 calc R U . . .
C47 C 0.0138(2) -0.0675(3) 0.2677(3) 0.0367(7) Uani 1 1 d . . . . .
H47 H -0.0604 -0.0838 0.2438 0.044 Uiso 1 1 calc R U . . .
C48 C 0.0833(2) 0.0148(2) 0.2587(2) 0.0273(6) Uani 1 1 d . . . . .
H48 H 0.0554 0.0536 0.2287 0.033 Uiso 1 1 calc R U . . .
C49 C 0.04474(19) 0.2995(2) 0.21857(18) 0.0189(5) Uani 1 1 d . . . . .
H49A H 0.0174 0.2340 0.2261 0.023 Uiso 1 1 calc R U . . .
H49B H 0.0289 0.3574 0.2650 0.023 Uiso 1 1 calc R U . . .
C50 C -0.0192(2) 0.2718(2) 0.10747(19) 0.0224(5) Uani 1 1 d . . . . .
H50A H 0.0066 0.2253 0.0614 0.027 Uiso 1 1 calc R U . . .
H50B H -0.0951 0.2292 0.0879 0.027 Uiso 1 1 calc R U . . .
C51 C -0.0105(2) 0.3726(3) 0.0921(2) 0.0321(6) Uani 1 1 d . . . . .
H51A H 0.0644 0.4119 0.1055 0.039 Uiso 1 1 calc R U . . .
H51B H -0.0306 0.4223 0.1420 0.039 Uiso 1 1 calc R U . . .
C52 C -0.0829(3) 0.3427(4) -0.0172(3) 0.0489(9) Uani 1 1 d . . . . .
H52A H -0.0637 0.2930 -0.0670 0.073 Uiso 1 1 calc R U . . .
H52B H -0.0727 0.4092 -0.0236 0.073 Uiso 1 1 calc R U . . .
H52C H -0.1575 0.3072 -0.0297 0.073 Uiso 1 1 calc R U . . .
H5 H 0.404(3) 0.412(3) 0.287(3) 0.051(12) Uiso 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'
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
O5 Sn1 O6 87.91(7) . .
O5 Sn1 O1 87.55(7) . 2_666
O6 Sn1 O1 88.76(7) . 2_666
O5 Sn1 C49 175.50(8) . .
O6 Sn1 C49 95.66(8) . .
O1 Sn1 C49 95.24(8) 2_666 .
O5 Sn1 O9 88.00(6) . 2_666
O6 Sn1 O9 175.49(6) . 2_666
O1 Sn1 O9 89.16(7) 2_666 2_666
C49 Sn1 O9 88.51(8) . 2_666
O5 Sn1 O3 84.11(6) . .
O6 Sn1 O3 90.70(6) . .
O1 Sn1 O3 171.65(6) 2_666 .
C49 Sn1 O3 93.10(8) . .
O9 Sn1 O3 90.78(6) 2_666 .
O2 Cu1 O5 164.54(7) . .
O2 Cu1 O4 91.97(7) . .
O5 Cu1 O4 91.46(7) . .
O2 Cu1 O8 92.47(7) . .
O5 Cu1 O8 83.39(7) . .
O4 Cu1 O8 174.47(6) . .
O2 Cu1 O8 105.38(6) . 2_666
O5 Cu1 O8 89.33(6) . 2_666
O4 Cu1 O8 94.92(6) . 2_666
O8 Cu1 O8 87.06(6) . 2_666
O2 P1 O1 119.04(10) . .
O2 P1 C25 110.37(11) . .
O1 P1 C25 108.59(11) . .
O2 P1 C31 106.83(10) . .
O1 P1 C31 106.25(11) . .
C25 P1 C31 104.74(11) . .
O4 P2 O3 116.31(9) . .
O4 P2 C43 110.74(10) . .
O3 P2 C43 106.20(11) . .
O4 P2 C37 107.96(11) . .
O3 P2 C37 110.56(10) . .
C43 P2 C37 104.45(11) . .
O7 P3 O6 116.66(10) . .
O7 P3 C1 111.58(11) . .
O6 P3 C1 106.92(11) . .
O7 P3 C7 112.23(11) . .
O6 P3 C7 105.39(11) . .
C1 P3 C7 102.97(11) . .
O8 P4 O9 116.33(9) . .
O8 P4 C13 109.15(10) . .
O9 P4 C13 108.72(11) . .
O8 P4 C19 108.94(10) . .
O9 P4 C19 108.81(10) . .
C13 P4 C19 104.21(10) . .
P1 O1 Sn1 142.33(10) . 2_666
P1 O2 Cu1 156.17(12) . .
P2 O3 Sn1 129.78(10) . .
P2 O4 Cu1 130.57(10) . .
Cu1 O5 Sn1 134.54(9) . .
Cu1 O5 H5 112(3) . .
Sn1 O5 H5 112(3) . .
P3 O6 Sn1 135.49(10) . .
P4 O8 Cu1 133.18(10) . .
P4 O8 Cu1 117.37(9) . 2_666
Cu1 O8 Cu1 92.94(6) . 2_666
P4 O9 Sn1 141.03(10) . 2_666
C6 C1 C2 118.8(2) . .
C6 C1 P3 121.3(2) . .
C2 C1 P3 119.5(2) . .
C3 C2 C1 120.8(3) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C4 C3 C2 119.8(3) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C5 C4 C3 120.2(3) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 120.5(3) . .
C4 C5 H5A 119.8 . .
C6 C5 H5A 119.8 . .
C1 C6 C5 119.9(3) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C12 C7 C8 119.1(2) . .
C12 C7 P3 121.7(2) . .
C8 C7 P3 119.2(2) . .
C9 C8 C7 120.4(3) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C10 C9 C8 120.2(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 120.0(3) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C10 C11 C12 119.9(3) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C7 C12 C11 120.5(3) . .
C7 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C14 C13 C18 119.3(2) . .
C14 C13 P4 120.50(19) . .
C18 C13 P4 119.89(19) . .
C15 C14 C13 120.0(3) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C16 C15 C14 120.4(3) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C17 C16 C15 120.2(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 120.0(3) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C13 120.1(3) . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
C24 C19 C20 119.2(2) . .
C24 C19 P4 120.61(19) . .
C20 C19 P4 120.05(18) . .
C21 C20 C19 119.9(2) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
C22 C21 C20 120.5(2) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C23 C22 C21 119.9(2) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C22 C23 C24 120.1(3) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C24 C19 120.4(2) . .
C23 C24 H24 119.8 . .
C19 C24 H24 119.8 . .
C30 C25 C26 119.6(2) . .
C30 C25 P1 120.5(2) . .
C26 C25 P1 119.46(19) . .
C27 C26 C25 120.0(3) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 120.4(3) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 120.1(3) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 C30 119.9(3) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C25 C30 C29 119.9(3) . .
C25 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
C32 C31 C36 119.5(2) . .
C32 C31 P1 118.68(19) . .
C36 C31 P1 121.82(19) . .
C31 C32 C33 119.8(3) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C34 C33 C32 120.4(3) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C33 C34 C35 119.7(3) . .
C33 C34 H34 120.1 . .
C35 C34 H34 120.1 . .
C36 C35 C34 120.2(3) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C35 C36 C31 120.4(3) . .
C35 C36 H36 119.8 . .
C31 C36 H36 119.8 . .
C42 C37 C38 118.4(2) . .
C42 C37 P2 121.30(19) . .
C38 C37 P2 120.17(19) . .
C39 C38 C37 120.2(3) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C40 C39 C38 120.5(3) . .
C40 C39 H39 119.7 . .
C38 C39 H39 119.7 . .
C39 C40 C41 119.6(3) . .
C39 C40 H40 120.2 . .
C41 C40 H40 120.2 . .
C42 C41 C40 119.9(3) . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C41 C42 C37 121.2(3) . .
C41 C42 H42 119.4 . .
C37 C42 H42 119.4 . .
C44 C43 C48 119.0(2) . .
C44 C43 P2 121.0(2) . .
C48 C43 P2 119.96(19) . .
C43 C44 C45 120.3(3) . .
C43 C44 H44 119.9 . .
C45 C44 H44 119.9 . .
C46 C45 C44 120.1(3) . .
C46 C45 H45 120.0 . .
C44 C45 H45 120.0 . .
C45 C46 C47 120.4(3) . .
C45 C46 H46 119.8 . .
C47 C46 H46 119.8 . .
C46 C47 C48 119.6(3) . .
C46 C47 H47 120.2 . .
C48 C47 H47 120.2 . .
C47 C48 C43 120.6(3) . .
C47 C48 H48 119.7 . .
C43 C48 H48 119.7 . .
C50 C49 Sn1 117.53(17) . .
C50 C49 H49A 107.9 . .
Sn1 C49 H49A 107.9 . .
C50 C49 H49B 107.9 . .
Sn1 C49 H49B 107.9 . .
H49A C49 H49B 107.2 . .
C51 C50 C49 114.0(2) . .
C51 C50 H50A 108.7 . .
C49 C50 H50A 108.7 . .
C51 C50 H50B 108.7 . .
C49 C50 H50B 108.7 . .
H50A C50 H50B 107.6 . .
C50 C51 C52 112.8(3) . .
C50 C51 H51A 109.0 . .
C52 C51 H51A 109.0 . .
C50 C51 H51B 109.0 . .
C52 C51 H51B 109.0 . .
H51A C51 H51B 107.8 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O5 2.0041(16) .
Sn1 O6 2.0873(16) .
Sn1 O1 2.1063(17) 2_666
Sn1 C49 2.126(2) .
Sn1 O9 2.1342(16) 2_666
Sn1 O3 2.1401(16) .
Cu1 O2 1.9187(16) .
Cu1 O5 1.9286(16) .
Cu1 O4 1.9563(17) .
Cu1 O8 1.9900(16) .
Cu1 O8 2.3039(16) 2_666
P1 O2 1.5021(17) .
P1 O1 1.5198(17) .
P1 C25 1.803(3) .
P1 C31 1.809(3) .
P2 O4 1.5139(17) .
P2 O3 1.5278(16) .
P2 C43 1.797(2) .
P2 C37 1.806(2) .
P3 O7 1.4938(18) .
P3 O6 1.5325(17) .
P3 C1 1.801(2) .
P3 C7 1.807(3) .
P4 O8 1.5176(16) .
P4 O9 1.5193(16) .
P4 C13 1.792(2) .
P4 C19 1.799(2) .
O1 Sn1 2.1063(17) 2_666
O5 H5 0.81(4) .
O8 Cu1 2.3040(16) 2_666
O9 Sn1 2.1342(16) 2_666
C1 C6 1.385(4) .
C1 C2 1.394(4) .
C2 C3 1.382(4) .
C2 H2 0.9300 .
C3 C4 1.377(5) .
C3 H3 0.9300 .
C4 C5 1.368(5) .
C4 H4 0.9300 .
C5 C6 1.395(4) .
C5 H5A 0.9300 .
C6 H6 0.9300 .
C7 C12 1.384(4) .
C7 C8 1.396(4) .
C8 C9 1.386(4) .
C8 H8 0.9300 .
C9 C10 1.380(5) .
C9 H9 0.9300 .
C10 C11 1.386(5) .
C10 H10 0.9300 .
C11 C12 1.391(4) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.396(3) .
C13 C18 1.397(3) .
C14 C15 1.385(4) .
C14 H14 0.9300 .
C15 C16 1.385(5) .
C15 H15 0.9300 .
C16 C17 1.378(4) .
C16 H16 0.9300 .
C17 C18 1.394(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.395(3) .
C19 C20 1.396(3) .
C20 C21 1.386(3) .
C20 H20 0.9300 .
C21 C22 1.386(4) .
C21 H21 0.9300 .
C22 C23 1.381(4) .
C22 H22 0.9300 .
C23 C24 1.388(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C30 1.384(4) .
C25 C26 1.393(4) .
C26 C27 1.386(4) .
C26 H26 0.9300 .
C27 C28 1.371(5) .
C27 H27 0.9300 .
C28 C29 1.386(5) .
C28 H28 0.9300 .
C29 C30 1.395(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.392(3) .
C31 C36 1.392(3) .
C32 C33 1.392(4) .
C32 H32 0.9300 .
C33 C34 1.383(4) .
C33 H33 0.9300 .
C34 C35 1.388(4) .
C34 H34 0.9300 .
C35 C36 1.381(4) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C42 1.392(4) .
C37 C38 1.395(4) .
C38 C39 1.385(4) .
C38 H38 0.9300 .
C39 C40 1.382(4) .
C39 H39 0.9300 .
C40 C41 1.385(4) .
C40 H40 0.9300 .
C41 C42 1.379(4) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.391(3) .
C43 C48 1.395(4) .
C44 C45 1.391(4) .
C44 H44 0.9300 .
C45 C46 1.378(4) .
C45 H45 0.9300 .
C46 C47 1.386(4) .
C46 H46 0.9300 .
C47 C48 1.387(4) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.532(3) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 C51 1.510(4) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.532(4) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5 O7 0.81(4) 1.97(4) 2.750(2) 161(4) .
C26 H26 O4 0.93 2.64 3.463(3) 147.4 .
C20 H20 O7 0.93 2.50 3.408(3) 165.2 .
C14 H14 O7 0.93 2.49 3.399(3) 164.8 .
C14 H14 O7 0.93 2.49 3.399(3) 164.8 .
C20 H20 O7 0.93 2.50 3.408(3) 165.2 .
C26 H26 O4 0.93 2.64 3.463(3) 147.4 .
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
O2 P1 O1 Sn1 4.2(2) . . . 2_666
C25 P1 O1 Sn1 -123.12(18) . . . 2_666
C31 P1 O1 Sn1 124.69(18) . . . 2_666
O1 P1 O2 Cu1 -52.1(3) . . . .
C25 P1 O2 Cu1 74.4(3) . . . .
C31 P1 O2 Cu1 -172.2(3) . . . .
O4 P2 O3 Sn1 0.22(17) . . . .
C43 P2 O3 Sn1 123.93(13) . . . .
C37 P2 O3 Sn1 -123.34(13) . . . .
O3 P2 O4 Cu1 -46.22(17) . . . .
C43 P2 O4 Cu1 -167.55(13) . . . .
C37 P2 O4 Cu1 78.67(15) . . . .
O7 P3 O6 Sn1 -18.1(2) . . . .
C1 P3 O6 Sn1 -143.74(15) . . . .
C7 P3 O6 Sn1 107.17(15) . . . .
O9 P4 O8 Cu1 -86.15(15) . . . .
C13 P4 O8 Cu1 150.42(12) . . . .
C19 P4 O8 Cu1 37.22(15) . . . .
O9 P4 O8 Cu1 38.25(13) . . . 2_666
C13 P4 O8 Cu1 -85.18(11) . . . 2_666
C19 P4 O8 Cu1 161.62(9) . . . 2_666
O8 P4 O9 Sn1 6.4(2) . . . 2_666
C13 P4 O9 Sn1 130.08(16) . . . 2_666
C19 P4 O9 Sn1 -117.01(17) . . . 2_666
O7 P3 C1 C6 12.7(3) . . . .
O6 P3 C1 C6 141.3(2) . . . .
C7 P3 C1 C6 -107.9(3) . . . .
O7 P3 C1 C2 -173.8(2) . . . .
O6 P3 C1 C2 -45.1(2) . . . .
C7 P3 C1 C2 65.6(2) . . . .
C6 C1 C2 C3 -2.1(5) . . . .
P3 C1 C2 C3 -175.8(2) . . . .
C1 C2 C3 C4 2.8(5) . . . .
C2 C3 C4 C5 -1.9(6) . . . .
C3 C4 C5 C6 0.3(6) . . . .
C2 C1 C6 C5 0.5(5) . . . .
P3 C1 C6 C5 174.0(3) . . . .
C4 C5 C6 C1 0.4(6) . . . .
O7 P3 C7 C12 122.6(2) . . . .
O6 P3 C7 C12 -5.4(2) . . . .
C1 P3 C7 C12 -117.3(2) . . . .
O7 P3 C7 C8 -59.9(2) . . . .
O6 P3 C7 C8 172.1(2) . . . .
C1 P3 C7 C8 60.2(2) . . . .
C12 C7 C8 C9 1.1(4) . . . .
P3 C7 C8 C9 -176.5(2) . . . .
C7 C8 C9 C10 -1.1(5) . . . .
C8 C9 C10 C11 0.3(5) . . . .
C9 C10 C11 C12 0.5(5) . . . .
C8 C7 C12 C11 -0.3(4) . . . .
P3 C7 C12 C11 177.2(2) . . . .
C10 C11 C12 C7 -0.5(5) . . . .
O8 P4 C13 C14 -42.1(2) . . . .
O9 P4 C13 C14 -169.9(2) . . . .
C19 P4 C13 C14 74.2(2) . . . .
O8 P4 C13 C18 144.41(19) . . . .
O9 P4 C13 C18 16.6(2) . . . .
C19 P4 C13 C18 -99.3(2) . . . .
C18 C13 C14 C15 0.3(4) . . . .
P4 C13 C14 C15 -173.3(2) . . . .
C13 C14 C15 C16 -0.4(5) . . . .
C14 C15 C16 C17 0.0(5) . . . .
C15 C16 C17 C18 0.4(5) . . . .
C16 C17 C18 C13 -0.5(4) . . . .
C14 C13 C18 C17 0.2(4) . . . .
P4 C13 C18 C17 173.8(2) . . . .
O8 P4 C19 C24 -142.96(19) . . . .
O9 P4 C19 C24 -15.2(2) . . . .
C13 P4 C19 C24 100.6(2) . . . .
O8 P4 C19 C20 41.4(2) . . . .
O9 P4 C19 C20 169.19(18) . . . .
C13 P4 C19 C20 -75.0(2) . . . .
C24 C19 C20 C21 -0.5(4) . . . .
P4 C19 C20 C21 175.17(19) . . . .
C19 C20 C21 C22 0.0(4) . . . .
C20 C21 C22 C23 0.6(4) . . . .
C21 C22 C23 C24 -0.6(4) . . . .
C22 C23 C24 C19 0.1(4) . . . .
C20 C19 C24 C23 0.5(4) . . . .
P4 C19 C24 C23 -175.2(2) . . . .
O2 P1 C25 C30 -158.8(2) . . . .
O1 P1 C25 C30 -26.7(3) . . . .
C31 P1 C25 C30 86.5(2) . . . .
O2 P1 C25 C26 28.2(2) . . . .
O1 P1 C25 C26 160.4(2) . . . .
C31 P1 C25 C26 -86.4(2) . . . .
C30 C25 C26 C27 -2.3(4) . . . .
P1 C25 C26 C27 170.7(2) . . . .
C25 C26 C27 C28 0.7(5) . . . .
C26 C27 C28 C29 1.9(5) . . . .
C27 C28 C29 C30 -2.8(6) . . . .
C26 C25 C30 C29 1.4(5) . . . .
P1 C25 C30 C29 -171.5(3) . . . .
C28 C29 C30 C25 1.1(5) . . . .
O2 P1 C31 C32 -47.7(2) . . . .
O1 P1 C31 C32 -175.78(19) . . . .
C25 P1 C31 C32 69.4(2) . . . .
O2 P1 C31 C36 134.3(2) . . . .
O1 P1 C31 C36 6.3(2) . . . .
C25 P1 C31 C36 -108.6(2) . . . .
C36 C31 C32 C33 -0.2(4) . . . .
P1 C31 C32 C33 -178.2(2) . . . .
C31 C32 C33 C34 -1.0(4) . . . .
C32 C33 C34 C35 1.0(5) . . . .
C33 C34 C35 C36 0.1(4) . . . .
C34 C35 C36 C31 -1.3(4) . . . .
C32 C31 C36 C35 1.3(4) . . . .
P1 C31 C36 C35 179.3(2) . . . .
O4 P2 C37 C42 158.9(2) . . . .
O3 P2 C37 C42 -72.9(2) . . . .
C43 P2 C37 C42 41.0(2) . . . .
O4 P2 C37 C38 -17.6(2) . . . .
O3 P2 C37 C38 110.6(2) . . . .
C43 P2 C37 C38 -135.5(2) . . . .
C42 C37 C38 C39 1.4(4) . . . .
P2 C37 C38 C39 178.0(2) . . . .
C37 C38 C39 C40 -1.2(5) . . . .
C38 C39 C40 C41 -0.1(5) . . . .
C39 C40 C41 C42 1.0(5) . . . .
C40 C41 C42 C37 -0.7(5) . . . .
C38 C37 C42 C41 -0.5(4) . . . .
P2 C37 C42 C41 -177.0(2) . . . .
O4 P2 C43 C44 -56.6(2) . . . .
O3 P2 C43 C44 176.3(2) . . . .
C37 P2 C43 C44 59.4(2) . . . .
O4 P2 C43 C48 125.9(2) . . . .
O3 P2 C43 C48 -1.3(2) . . . .
C37 P2 C43 C48 -118.2(2) . . . .
C48 C43 C44 C45 -1.1(4) . . . .
P2 C43 C44 C45 -178.7(2) . . . .
C43 C44 C45 C46 -0.1(5) . . . .
C44 C45 C46 C47 1.3(5) . . . .
C45 C46 C47 C48 -1.2(5) . . . .
C46 C47 C48 C43 0.0(5) . . . .
C44 C43 C48 C47 1.2(4) . . . .
P2 C43 C48 C47 178.8(2) . . . .
Sn1 C49 C50 C51 -75.0(3) . . . .
C49 C50 C51 C52 -175.1(3) . . . .
