#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:47:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179347 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/44/4324416.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_4324416
loop_
_publ_author_name
'Ravi Shankar'
'Archana Jain'
'Gabriele Kociok-Köhn'
'Kieran C. Molloy'
_publ_section_title
;
 Diorganotin-Based Coordination Polymers Derived from
 Sulfonate/Phosphonate/Phosphonocarboxylate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1339
_journal_page_last               1350
_journal_paper_doi               10.1021/ic1018423
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C22 H56 O12 P4 Sn3'
_chemical_formula_sum            'C22 H56 O12 P4 Sn3'
_chemical_formula_weight         992.62
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 104.5790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4812(2)
_cell_length_b                   14.9061(2)
_cell_length_c                   18.8064(2)
_cell_measurement_reflns_used    42447
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     3928.81(9)
_computing_cell_refinement       'HKL Scalepack (Otwinski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;
 DENZO-SCALEPACK Z. Otwinowski and W. Minor, " 
 Processing of X-ray Diffraction Data Collected in Oscillation Mode ", 
 Methods in Enzymology, Volume 276: Macromolecular Crystallography, 
 part A, p.307-326, 1997,C.W. Carter, Jr. & R. M. Sweet, Eds., Academic Press.
;
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL97 -Program for Crystal Structure Analysis (Release 97-2). 
 Sheldrick, G.M., Institüt für Anorganische Chemie der Universität, 
 Tammanstrasse 4, D-3400 Göttingen, Germany, 1998 
;
_computing_structure_solution
; 
 SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. , 
 Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. 
 (1999) J. Appl. Cryst. 32, 115-119
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '208 1.7 degree images with ω 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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            56456
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.102
_exptl_absorpt_correction_T_max  0.8173
_exptl_absorpt_correction_T_min  0.6215
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       plate
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.748
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         8988
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0257P)²+2.7344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                7442
_reflns_number_total             8988
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1018423_si_001_3.cif
_cod_data_source_block           compound3
_cod_original_cell_volume        3928.80(9)
_cod_database_code               4324416
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
Sn1 Sn 0.204469(13) 0.900130(14) 0.386293(10) 0.01917(6) Uani 1 1 d .
Sn2 Sn 0.441863(13) 0.957275(14) 0.254838(10) 0.01968(6) Uani 1 1 d .
Sn3 Sn 0.242363(13) 0.693080(14) 0.195680(10) 0.01798(5) Uani 1 1 d .
P1 P 0.19858(5) 0.92141(5) 0.21522(4) 0.01896(15) Uani 1 1 d .
P2 P 0.38893(5) 0.77691(5) 0.33879(4) 0.01728(15) Uani 1 1 d .
P3 P 0.08820(5) 1.07081(5) 0.44552(4) 0.01831(15) Uani 1 1 d .
P4 P 0.30781(5) 0.45716(5) 0.20142(4) 0.01810(15) Uani 1 1 d .
O1 O 0.14783(14) 0.90563(15) 0.27710(11) 0.0229(4) Uani 1 1 d .
O2 O 0.29173(14) 0.97070(16) 0.24665(11) 0.0262(5) Uani 1 1 d .
O3 O 0.21135(15) 0.83426(15) 0.17700(11) 0.0252(5) Uani 1 1 d .
O4 O 0.29701(14) 0.79243(14) 0.36146(11) 0.0216(4) Uani 1 1 d .
O5 O 0.44402(14) 0.86348(14) 0.33300(10) 0.0213(4) Uani 1 1 d .
O6 O 0.36944(13) 0.72570(14) 0.26498(10) 0.0202(4) Uani 1 1 d .
O7 O 0.11693(15) 1.01674(15) 0.38625(11) 0.0244(5) Uani 1 1 d .
O8 O 0.12265(14) 1.03033(15) 0.52164(11) 0.0237(5) Uani 1 1 d .
O9 O -0.02319(14) 1.08268(15) 0.42539(11) 0.0235(4) Uani 1 1 d .
H9 H -0.0477 1.0411 0.4446 0.035 Uiso 1 1 calc R
O10 O 0.28709(15) 0.55375(14) 0.21321(11) 0.0253(5) Uani 1 1 d .
O11 O 0.28109(14) 0.43132(16) 0.11790(11) 0.0261(5) Uani 1 1 d .
H11 H 0.2260 0.4501 0.0979 0.039 Uiso 1 1 calc R
O12 O 0.41036(14) 0.43011(16) 0.23072(12) 0.0266(5) Uani 1 1 d .
C1 C 0.1109(2) 0.8078(2) 0.41671(17) 0.0264(7) Uani 1 1 d .
H1A H 0.0554 0.7981 0.3752 0.040 Uiso 1 1 calc R
H1B H 0.0897 0.8316 0.4585 0.040 Uiso 1 1 calc R
H1C H 0.1441 0.7507 0.4306 0.040 Uiso 1 1 calc R
C2 C 0.3282(2) 0.9688(2) 0.44384(17) 0.0274(7) Uani 1 1 d .
H2A H 0.3809 0.9260 0.4591 0.041 Uiso 1 1 calc R
H2B H 0.3160 0.9978 0.4873 0.041 Uiso 1 1 calc R
H2C H 0.3452 1.0144 0.4118 0.041 Uiso 1 1 calc R
C3 C 0.4212(2) 0.9076(3) 0.14663(17) 0.0347(8) Uani 1 1 d .
H3A H 0.4520 0.8489 0.1480 0.052 Uiso 1 1 calc R
H3B H 0.4492 0.9495 0.1177 0.052 Uiso 1 1 calc R
H3C H 0.3527 0.9015 0.1240 0.052 Uiso 1 1 calc R
C4 C 0.4688(2) 1.0812(2) 0.31020(18) 0.0287(7) Uani 1 1 d .
H4A H 0.4087 1.1141 0.3043 0.043 Uiso 1 1 calc R
H4B H 0.5128 1.1166 0.2895 0.043 Uiso 1 1 calc R
H4C H 0.4974 1.0706 0.3625 0.043 Uiso 1 1 calc R
C5 C 0.2678(2) 0.6851(2) 0.09057(16) 0.0293(7) Uani 1 1 d .
H5A H 0.2459 0.7403 0.0633 0.044 Uiso 1 1 calc R
H5B H 0.2331 0.6337 0.0641 0.044 Uiso 1 1 calc R
H5C H 0.3363 0.6774 0.0953 0.044 Uiso 1 1 calc R
C6 C 0.1384(2) 0.6688(2) 0.25413(17) 0.0258(7) Uani 1 1 d .
H6A H 0.1692 0.6445 0.3028 0.039 Uiso 1 1 calc R
H6B H 0.0917 0.6254 0.2271 0.039 Uiso 1 1 calc R
H6C H 0.1060 0.7251 0.2597 0.039 Uiso 1 1 calc R
C7 C 0.1211(2) 0.9943(2) 0.14881(16) 0.0235(6) Uani 1 1 d .
C8 C 0.0243(2) 0.9492(3) 0.1195(2) 0.0392(9) Uani 1 1 d .
H8A H -0.0031 0.9343 0.1607 0.059 Uiso 1 1 calc R
H8B H 0.0326 0.8941 0.0933 0.059 Uiso 1 1 calc R
H8C H -0.0186 0.9901 0.0859 0.059 Uiso 1 1 calc R
C9 C 0.1074(3) 1.0819(3) 0.1873(2) 0.0432(9) Uani 1 1 d .
H9A H 0.0639 1.1212 0.1525 0.065 Uiso 1 1 calc R
H9B H 0.1692 1.1118 0.2050 0.065 Uiso 1 1 calc R
H9C H 0.0804 1.0688 0.2290 0.065 Uiso 1 1 calc R
C10 C 0.1669(3) 1.0123(3) 0.0854(2) 0.0419(9) Uani 1 1 d .
H10A H 0.1804 0.9552 0.0643 0.063 Uiso 1 1 calc R
H10B H 0.2265 1.0456 0.1037 0.063 Uiso 1 1 calc R
H10C H 0.1231 1.0478 0.0476 0.063 Uiso 1 1 calc R
C11 C 0.4694(2) 0.7081(2) 0.40745(16) 0.0243(6) Uani 1 1 d .
C12 C 0.4898(2) 0.7563(3) 0.48194(17) 0.0349(8) Uani 1 1 d .
H12A H 0.4297 0.7657 0.4960 0.052 Uiso 1 1 calc R
H12B H 0.5198 0.8144 0.4781 0.052 Uiso 1 1 calc R
H12C H 0.5327 0.7196 0.5193 0.052 Uiso 1 1 calc R
C13 C 0.5636(2) 0.6956(3) 0.38487(19) 0.0356(8) Uani 1 1 d .
H13A H 0.6066 0.6571 0.4208 0.053 Uiso 1 1 calc R
H13B H 0.5937 0.7542 0.3832 0.053 Uiso 1 1 calc R
H13C H 0.5506 0.6675 0.3362 0.053 Uiso 1 1 calc R
C14 C 0.4218(3) 0.6173(2) 0.4116(2) 0.0410(9) Uani 1 1 d .
H14A H 0.4095 0.5876 0.3637 0.061 Uiso 1 1 calc R
H14B H 0.3614 0.6264 0.4251 0.061 Uiso 1 1 calc R
H14C H 0.4641 0.5797 0.4487 0.061 Uiso 1 1 calc R
C15 C 0.1303(2) 1.1852(2) 0.44300(16) 0.0220(6) Uani 1 1 d .
C16 C 0.2385(2) 1.1860(2) 0.4499(2) 0.0345(8) Uani 1 1 d .
H16A H 0.2518 1.1553 0.4075 0.052 Uiso 1 1 calc R
H16B H 0.2714 1.1550 0.4952 0.052 Uiso 1 1 calc R
H16C H 0.2610 1.2481 0.4515 0.052 Uiso 1 1 calc R
C17 C 0.1090(3) 1.2397(2) 0.50622(19) 0.0362(8) Uani 1 1 d .
H17A H 0.1306 1.3016 0.5038 0.054 Uiso 1 1 calc R
H17B H 0.1427 1.2130 0.5532 0.054 Uiso 1 1 calc R
H17C H 0.0402 1.2392 0.5021 0.054 Uiso 1 1 calc R
C18 C 0.0792(2) 1.2272(2) 0.36949(17) 0.0280(7) Uani 1 1 d .
H18A H 0.0107 1.2312 0.3662 0.042 Uiso 1 1 calc R
H18B H 0.0895 1.1899 0.3293 0.042 Uiso 1 1 calc R
H18C H 0.1047 1.2874 0.3659 0.042 Uiso 1 1 calc R
C19 C 0.2380(2) 0.3879(2) 0.24805(17) 0.0251(7) Uani 1 1 d .
C20 C 0.2607(3) 0.4182(3) 0.32890(18) 0.0354(8) Uani 1 1 d .
H20A H 0.2265 0.3799 0.3561 0.053 Uiso 1 1 calc R
H20B H 0.2407 0.4806 0.3314 0.053 Uiso 1 1 calc R
H20C H 0.3295 0.4133 0.3507 0.053 Uiso 1 1 calc R
C21 C 0.2659(3) 0.2896(2) 0.2435(2) 0.0383(8) Uani 1 1 d .
H21A H 0.2295 0.2522 0.2696 0.057 Uiso 1 1 calc R
H21B H 0.3343 0.2824 0.2660 0.057 Uiso 1 1 calc R
H21C H 0.2519 0.2711 0.1919 0.057 Uiso 1 1 calc R
C22 C 0.1309(2) 0.4000(3) 0.21188(19) 0.0336(8) Uani 1 1 d .
H22A H 0.1170 0.3800 0.1607 0.050 Uiso 1 1 calc R
H22B H 0.1138 0.4635 0.2135 0.050 Uiso 1 1 calc R
H22C H 0.0937 0.3643 0.2385 0.050 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'
S S 0.1246 0.1234 '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'
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 C1 100.30(10) . .
O1 Sn1 C2 125.38(11) . .
C1 Sn1 C2 134.26(13) . .
O1 Sn1 O7 82.99(8) . .
C1 Sn1 O7 96.25(11) . .
C2 Sn1 O7 91.87(11) . .
O1 Sn1 O4 85.82(8) . .
C1 Sn1 O4 92.76(11) . .
C2 Sn1 O4 88.79(10) . .
O7 Sn1 O4 166.72(8) . .
O5 Sn2 C4 106.25(11) . .
O5 Sn2 C3 115.47(12) . .
C4 Sn2 C3 138.20(15) . .
O5 Sn2 O12 86.83(8) . 2_655
C4 Sn2 O12 92.79(11) . 2_655
C3 Sn2 O12 87.17(11) . 2_655
O5 Sn2 O2 86.95(8) . .
C4 Sn2 O2 90.68(11) . .
C3 Sn2 O2 93.89(11) . .
O12 Sn2 O2 173.52(9) 2_655 .
O6 Sn3 C5 105.80(11) . .
O6 Sn3 C6 110.96(10) . .
C5 Sn3 C6 142.92(13) . .
O6 Sn3 O3 89.36(8) . .
C5 Sn3 O3 88.91(11) . .
C6 Sn3 O3 96.07(11) . .
O6 Sn3 O10 86.80(8) . .
C5 Sn3 O10 88.41(11) . .
C6 Sn3 O10 88.93(11) . .
O3 Sn3 O10 174.54(8) . .
O3 P1 O2 113.32(13) . .
O3 P1 O1 111.38(13) . .
O2 P1 O1 108.98(12) . .
O3 P1 C7 108.32(13) . .
O2 P1 C7 108.24(13) . .
O1 P1 C7 106.31(13) . .
O4 P2 O5 113.63(12) . .
O4 P2 O6 110.70(11) . .
O5 P2 O6 109.38(11) . .
O4 P2 C11 109.72(13) . .
O5 P2 C11 105.78(13) . .
O6 P2 C11 107.34(13) . .
O7 P3 O8 113.34(12) . .
O7 P3 O9 109.74(12) . .
O8 P3 O9 110.24(12) . .
O7 P3 C15 108.92(13) . .
O8 P3 C15 111.43(13) . .
O9 P3 C15 102.63(13) . .
O10 P4 O12 114.80(13) . .
O10 P4 O11 112.09(13) . .
O12 P4 O11 105.85(12) . .
O10 P4 C19 108.52(14) . .
O12 P4 C19 106.82(14) . .
O11 P4 C19 108.48(14) . .
P1 O1 Sn1 128.82(12) . .
P1 O2 Sn2 139.98(14) . .
P1 O3 Sn3 143.22(12) . .
P2 O4 Sn1 142.32(13) . .
P2 O5 Sn2 135.98(12) . .
P2 O6 Sn3 128.76(12) . .
P3 O7 Sn1 134.43(13) . .
P3 O9 H9 109.5 . .
P4 O10 Sn3 163.28(14) . .
P4 O11 H11 109.5 . .
P4 O12 Sn2 149.90(14) . 2_645
Sn1 C1 H1A 109.5 . .
Sn1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Sn1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Sn1 C2 H2A 109.5 . .
Sn1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Sn1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Sn2 C3 H3A 109.5 . .
Sn2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Sn2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Sn2 C4 H4A 109.5 . .
Sn2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Sn2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Sn3 C5 H5A 109.5 . .
Sn3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Sn3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Sn3 C6 H6A 109.5 . .
Sn3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Sn3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 C10 109.6(3) . .
C8 C7 C9 109.3(3) . .
C10 C7 C9 110.6(3) . .
C8 C7 P1 109.7(2) . .
C10 C7 P1 109.1(2) . .
C9 C7 P1 108.5(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 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C14 C11 C12 110.7(3) . .
C14 C11 C13 110.4(3) . .
C12 C11 C13 109.2(3) . .
C14 C11 P2 108.5(2) . .
C12 C11 P2 109.0(2) . .
C13 C11 P2 109.0(2) . .
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 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C18 C15 C17 109.8(3) . .
C18 C15 C16 108.9(3) . .
C17 C15 C16 109.2(3) . .
C18 C15 P3 108.6(2) . .
C17 C15 P3 110.1(2) . .
C16 C15 P3 110.2(2) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C21 C19 C22 109.8(3) . .
C21 C19 C20 110.0(3) . .
C22 C19 C20 110.1(3) . .
C21 C19 P4 109.3(2) . .
C22 C19 P4 110.0(2) . .
C20 C19 P4 107.7(2) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.0121(19) .
Sn1 C1 2.109(3) .
Sn1 C2 2.110(3) .
Sn1 O7 2.151(2) .
Sn1 O4 2.215(2) .
Sn2 O5 2.023(2) .
Sn2 C4 2.109(3) .
Sn2 C3 2.115(3) .
Sn2 O12 2.127(2) 2_655
Sn2 O2 2.150(2) .
Sn3 O6 2.0284(19) .
Sn3 C5 2.103(3) .
Sn3 C6 2.107(3) .
Sn3 O3 2.162(2) .
Sn3 O10 2.176(2) .
P1 O3 1.518(2) .
P1 O2 1.519(2) .
P1 O1 1.543(2) .
P1 C7 1.815(3) .
P2 O4 1.514(2) .
P2 O5 1.535(2) .
P2 O6 1.547(2) .
P2 C11 1.822(3) .
P3 O7 1.516(2) .
P3 O8 1.517(2) .
P3 O9 1.571(2) .
P3 C15 1.816(3) .
P4 O10 1.499(2) .
P4 O12 1.503(2) .
P4 O11 1.568(2) .
P4 C19 1.817(3) .
O9 H9 0.8400 .
O11 H11 0.8400 .
O12 Sn2 2.127(2) 2_645
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
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 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.526(4) .
C7 C10 1.527(5) .
C7 C9 1.530(5) .
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 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C14 1.530(5) .
C11 C12 1.535(4) .
C11 C13 1.538(4) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C18 1.528(4) .
C15 C17 1.533(4) .
C15 C16 1.539(4) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C21 1.529(5) .
C19 C22 1.539(4) .
C19 C20 1.540(4) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
