#------------------------------------------------------------------------------
#$Date: 2019-11-24 07:43:58 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237162 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/79/4087972.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_4087972
loop_
_publ_author_name
'Baba Haj, Samer'
'Dietz, Christina'
'Lutter, Michael'
'Jurkschat, Klaus'
_publ_section_title
;
 cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties
 within the Ring and Formation of Related Organotin Oxo Clusters
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5555
_journal_paper_doi               10.1021/acs.organomet.5b00768
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C50 H100 O8 Si2 Sn6'
_chemical_formula_sum            'C50 H100 O8 Si2 Sn6'
_chemical_formula_weight         1597.61
_chemical_name_common
'[(t-Bu2)(μ-OH)Sn(μ3-O)Sn(Ph)(CH2Me2SiO)Sn(t-Bu2)(μ3-O)]2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 112.096(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9649(7)
_cell_length_b                   28.0445(11)
_cell_length_c                   12.2933(7)
_cell_measurement_reflns_used    7028
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.1403
_cell_measurement_theta_min      2.1841
_cell_volume                     3183.2(4)
_computing_cell_refinement
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_collection
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_reduction
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'enCIFer Version 1.5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'XcaliburS CCD Diffractometer'
_diffrn_measurement_method       'ω und ψ scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_unetI/netI     0.0750
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15653
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.257
_exptl_absorpt_coefficient_mu    2.399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_description       column
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.839
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         5902
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.839
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0290
_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)+(0.0197P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0526
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4031
_reflns_number_total             5902
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00768_si_002.cif
_cod_data_source_block           comp13
_cod_original_cell_volume        3183.2(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4087972
_shelx_shelxl_version_number     2014/7
_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   0.463
_shelx_estimated_absorpt_t_max   0.850
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_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 0.04724(3) 0.05169(2) 0.06226(3) 0.01948(8) Uani 1 1 d . . . . .
Sn2 Sn -0.07547(4) 0.18026(2) -0.04478(3) 0.02600(9) Uani 1 1 d . . . . .
Sn3 Sn -0.08510(4) 0.08254(2) -0.21991(3) 0.02507(9) Uani 1 1 d . . . . .
Si1 Si 0.00718(16) 0.13793(4) 0.23564(11) 0.0263(3) Uani 1 1 d . . . . .
O1 O 0.0171(3) 0.17298(8) 0.1350(3) 0.0277(8) Uani 1 1 d . . . . .
O2 O -0.0234(3) 0.11065(8) -0.0544(2) 0.0234(7) Uani 1 1 d . . . . .
O3 O -0.0438(3) 0.02257(8) -0.1014(2) 0.0216(7) Uani 1 1 d . . . . .
O4 O -0.1444(4) 0.15663(10) -0.2349(3) 0.0336(8) Uani 1 1 d D . . . .
H4 H -0.190(4) 0.1709(13) -0.293(3) 0.037(16) Uiso 1 1 d D . . . .
C1 C -0.0553(5) 0.07734(12) 0.1737(4) 0.0247(11) Uani 1 1 d . . . . .
H1A H -0.1612 0.0784 0.1289 0.030 Uiso 1 1 calc R U . . .
H1B H -0.0369 0.0546 0.2393 0.030 Uiso 1 1 calc R U . . .
C2 C 0.1859(5) 0.12989(14) 0.3580(4) 0.0363(13) Uani 1 1 d . . . . .
H2A H 0.1749 0.1084 0.4170 0.055 Uiso 1 1 calc R U . . .
H2B H 0.2550 0.1162 0.3273 0.055 Uiso 1 1 calc R U . . .
H2C H 0.2218 0.1609 0.3941 0.055 Uiso 1 1 calc R U . . .
C3 C -0.1180(5) 0.16077(13) 0.3049(4) 0.0354(13) Uani 1 1 d . . . . .
H3A H -0.1202 0.1383 0.3652 0.053 Uiso 1 1 calc R U . . .
H3B H -0.0838 0.1919 0.3410 0.053 Uiso 1 1 calc R U . . .
H3C H -0.2156 0.1641 0.2448 0.053 Uiso 1 1 calc R U . . .
C11 C 0.2738(5) 0.05999(13) 0.1098(4) 0.0249(11) Uani 1 1 d . . . . .
C12 C 0.3600(6) 0.02198(16) 0.1018(4) 0.0347(13) Uani 1 1 d . . . . .
H12A H 0.3163 -0.0075 0.0696 0.042 Uiso 1 1 calc R U . . .
C13 C 0.5082(6) 0.02706(18) 0.1403(5) 0.0483(15) Uani 1 1 d . . . . .
H13A H 0.5659 0.0011 0.1337 0.058 Uiso 1 1 calc R U . . .
C14 C 0.5735(6) 0.06967(19) 0.1887(5) 0.0506(15) Uani 1 1 d . . . . .
H14A H 0.6760 0.0728 0.2180 0.061 Uiso 1 1 calc R U . . .
C15 C 0.4878(6) 0.10743(17) 0.1936(5) 0.0440(14) Uani 1 1 d . . . . .
H15A H 0.5316 0.1369 0.2259 0.053 Uiso 1 1 calc R U . . .
C16 C 0.3419(5) 0.10313(15) 0.1532(4) 0.0316(12) Uani 1 1 d . . . . .
H16A H 0.2849 0.1301 0.1546 0.038 Uiso 1 1 calc R U . . .
C21 C 0.0722(6) 0.23495(14) -0.0624(4) 0.0347(13) Uani 1 1 d . . . . .
C22 C 0.0971(12) 0.2715(3) 0.0309(8) 0.065(3) Uani 0.744(9) 1 d . . P A 1
H22A H 0.1367 0.2561 0.1081 0.097 Uiso 0.744(9) 1 calc R U P A 1
H22B H 0.1658 0.2954 0.0251 0.097 Uiso 0.744(9) 1 calc R U P A 1
H22C H 0.0051 0.2870 0.0210 0.097 Uiso 0.744(9) 1 calc R U P A 1
C23 C 0.2179(9) 0.2122(3) -0.0486(9) 0.056(2) Uani 0.744(9) 1 d . . P A 1
H23A H 0.2024 0.1881 -0.1098 0.084 Uiso 0.744(9) 1 calc R U P A 1
H23B H 0.2835 0.2369 -0.0560 0.084 Uiso 0.744(9) 1 calc R U P A 1
H23C H 0.2606 0.1972 0.0288 0.084 Uiso 0.744(9) 1 calc R U P A 1
C24 C 0.0099(12) 0.2586(3) -0.1842(9) 0.056(3) Uani 0.744(9) 1 d . . P A 1
H24A H -0.0061 0.2342 -0.2450 0.083 Uiso 0.744(9) 1 calc R U P A 1
H24B H -0.0822 0.2741 -0.1946 0.083 Uiso 0.744(9) 1 calc R U P A 1
H24C H 0.0785 0.2824 -0.1905 0.083 Uiso 0.744(9) 1 calc R U P A 1
C22' C 0.016(4) 0.2828(9) -0.034(3) 0.065(3) Uani 0.256(9) 1 d . . P A 2
H22D H -0.0827 0.2885 -0.0911 0.097 Uiso 0.256(9) 1 calc R U P A 2
H22E H 0.0142 0.2814 0.0451 0.097 Uiso 0.256(9) 1 calc R U P A 2
H22F H 0.0794 0.3087 -0.0384 0.097 Uiso 0.256(9) 1 calc R U P A 2
C23' C 0.215(3) 0.2289(8) 0.024(3) 0.056(2) Uani 0.256(9) 1 d . . P A 2
H23D H 0.2103 0.2256 0.1016 0.084 Uiso 0.256(9) 1 calc R U P A 2
H23E H 0.2587 0.2001 0.0056 0.084 Uiso 0.256(9) 1 calc R U P A 2
H23F H 0.2742 0.2567 0.0230 0.084 Uiso 0.256(9) 1 calc R U P A 2
C24' C 0.064(4) 0.2406(9) -0.189(3) 0.056(3) Uani 0.256(9) 1 d . . P A 2
H24D H -0.0376 0.2445 -0.2414 0.083 Uiso 0.256(9) 1 calc R U P A 2
H24E H 0.1194 0.2686 -0.1939 0.083 Uiso 0.256(9) 1 calc R U P A 2
H24F H 0.1039 0.2121 -0.2114 0.083 Uiso 0.256(9) 1 calc R U P A 2
C25 C -0.2973(6) 0.19748(15) -0.0597(4) 0.0372(13) Uani 1 1 d . . . . .
C26 C -0.2871(6) 0.23625(14) 0.0325(4) 0.0451(15) Uani 1 1 d . . . . .
H26A H -0.2263 0.2247 0.1108 0.068 Uiso 1 1 calc R U . . .
H26B H -0.2441 0.2652 0.0147 0.068 Uiso 1 1 calc R U . . .
H26C H -0.3843 0.2434 0.0303 0.068 Uiso 1 1 calc R U . . .
C27 C -0.3896(6) 0.21509(16) -0.1788(5) 0.0511(16) Uani 1 1 d . . . . .
H27A H -0.3456 0.2436 -0.1973 0.077 Uiso 1 1 calc R U . . .
H27B H -0.3978 0.1903 -0.2370 0.077 Uiso 1 1 calc R U . . .
H27C H -0.4862 0.2229 -0.1804 0.077 Uiso 1 1 calc R U . . .
C28 C -0.3658(6) 0.15319(15) -0.0313(5) 0.0476(15) Uani 1 1 d . . . . .
H28A H -0.3052 0.1416 0.0470 0.071 Uiso 1 1 calc R U . . .
H28B H -0.4624 0.1611 -0.0330 0.071 Uiso 1 1 calc R U . . .
H28C H -0.3740 0.1284 -0.0896 0.071 Uiso 1 1 calc R U . . .
C31 C 0.0973(6) 0.08416(14) -0.2788(4) 0.0342(13) Uani 1 1 d . . . . .
C32 C 0.2387(6) 0.0847(2) -0.1745(5) 0.0685(18) Uani 1 1 d . . . . .
H32A H 0.2453 0.0562 -0.1266 0.103 Uiso 1 1 calc R U . . .
H32B H 0.3193 0.0850 -0.2017 0.103 Uiso 1 1 calc R U . . .
H32C H 0.2433 0.1132 -0.1272 0.103 Uiso 1 1 calc R U . . .
C33 C 0.0949(7) 0.04067(16) -0.3544(5) 0.074(2) Uani 1 1 d . . . . .
H33A H 0.0034 0.0400 -0.4227 0.112 Uiso 1 1 calc R U . . .
H33B H 0.1759 0.0426 -0.3811 0.112 Uiso 1 1 calc R U . . .
H33C H 0.1040 0.0116 -0.3080 0.112 Uiso 1 1 calc R U . . .
C34 C 0.0870(7) 0.12856(15) -0.3533(5) 0.0576(18) Uani 1 1 d . . . . .
H34A H -0.0049 0.1282 -0.4211 0.086 Uiso 1 1 calc R U . . .
H34B H 0.0917 0.1571 -0.3060 0.086 Uiso 1 1 calc R U . . .
H34C H 0.1677 0.1289 -0.3805 0.086 Uiso 1 1 calc R U . . .
C35 C -0.2914(6) 0.05980(14) -0.3532(4) 0.0342(12) Uani 1 1 d . . . . .
C36 C -0.4191(6) 0.07267(15) -0.3205(5) 0.0496(15) Uani 1 1 d . . . . .
H36A H -0.4207 0.1072 -0.3092 0.074 Uiso 1 1 calc R U . . .
H36B H -0.5092 0.0628 -0.3836 0.074 Uiso 1 1 calc R U . . .
H36C H -0.4101 0.0563 -0.2476 0.074 Uiso 1 1 calc R U . . .
C37 C -0.3083(7) 0.08407(15) -0.4696(4) 0.0586(18) Uani 1 1 d . . . . .
H37A H -0.2257 0.0758 -0.4908 0.088 Uiso 1 1 calc R U . . .
H37B H -0.3982 0.0732 -0.5315 0.088 Uiso 1 1 calc R U . . .
H37C H -0.3118 0.1187 -0.4608 0.088 Uiso 1 1 calc R U . . .
C38 C -0.2893(5) 0.00568(13) -0.3708(4) 0.0348(13) Uani 1 1 d . . . . .
H38A H -0.2068 -0.0027 -0.3920 0.052 Uiso 1 1 calc R U . . .
H38B H -0.2804 -0.0106 -0.2979 0.052 Uiso 1 1 calc R U . . .
H38C H -0.3795 -0.0042 -0.4339 0.052 Uiso 1 1 calc R U . . .
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'
Si Si 0.0817 0.0704 '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
O3 Sn1 C1 129.01(15) . .
O3 Sn1 C11 110.36(14) . .
C1 Sn1 C11 120.45(17) . .
O3 Sn1 O2 74.61(10) . .
C1 Sn1 O2 93.12(13) . .
C11 Sn1 O2 98.53(13) . .
O3 Sn1 O3 78.08(11) . 3
C1 Sn1 O3 97.62(12) . 3
C11 Sn1 O3 98.63(13) . 3
O2 Sn1 O3 151.45(10) . 3
O3 Sn1 Sn1 40.15(6) . 3
C1 Sn1 Sn1 118.87(11) . 3
C11 Sn1 Sn1 108.51(11) . 3
O2 Sn1 Sn1 114.34(7) . 3
O3 Sn1 Sn1 37.93(7) 3 3
O3 Sn1 Sn3 38.89(6) . .
C1 Sn1 Sn3 119.16(12) . .
C11 Sn1 Sn3 102.82(11) . .
O2 Sn1 Sn3 36.34(7) . .
O3 Sn1 Sn3 116.97(7) 3 .
Sn1 Sn1 Sn3 79.040(12) 3 .
O2 Sn2 O1 86.94(10) . .
O2 Sn2 C21 118.06(15) . .
O1 Sn2 C21 97.40(16) . .
O2 Sn2 C25 118.40(14) . .
O1 Sn2 C25 98.13(15) . .
C21 Sn2 C25 121.89(17) . .
O2 Sn2 O4 69.23(11) . .
O1 Sn2 O4 156.15(10) . .
C21 Sn2 O4 93.28(15) . .
C25 Sn2 O4 94.16(16) . .
O2 Sn2 Sn3 32.09(8) . .
O1 Sn2 Sn3 119.01(7) . .
C21 Sn2 Sn3 110.81(12) . .
C25 Sn2 Sn3 109.24(12) . .
O4 Sn2 Sn3 37.18(7) . .
O2 Sn3 O4 71.53(11) . .
O2 Sn3 O3 73.76(9) . .
O4 Sn3 O3 141.89(11) . .
O2 Sn3 C35 134.63(15) . .
O4 Sn3 C35 93.84(14) . .
O3 Sn3 C35 99.50(13) . .
O2 Sn3 C31 110.07(16) . .
O4 Sn3 C31 100.76(14) . .
O3 Sn3 C31 105.51(14) . .
C35 Sn3 C31 114.86(19) . .
O2 Sn3 Sn1 37.99(6) . .
O4 Sn3 Sn1 109.21(9) . .
O3 Sn3 Sn1 36.37(7) . .
C35 Sn3 Sn1 126.67(12) . .
C31 Sn3 Sn1 107.25(14) . .
O2 Sn3 Sn2 31.85(7) . .
O4 Sn3 Sn2 39.72(9) . .
O3 Sn3 Sn2 104.07(7) . .
C35 Sn3 Sn2 119.65(12) . .
C31 Sn3 Sn2 110.84(11) . .
Sn1 Sn3 Sn2 69.537(9) . .
O1 Si1 C2 112.2(2) . .
O1 Si1 C3 112.62(17) . .
C2 Si1 C3 105.8(2) . .
O1 Si1 C1 110.41(17) . .
C2 Si1 C1 106.8(2) . .
C3 Si1 C1 108.66(19) . .
Si1 O1 Sn2 138.74(17) . .
Sn2 O2 Sn3 116.06(13) . .
Sn2 O2 Sn1 137.14(14) . .
Sn3 O2 Sn1 105.66(10) . .
Sn1 O3 Sn1 101.91(11) . 3
Sn1 O3 Sn3 104.74(10) . .
Sn1 O3 Sn3 153.35(14) 3 .
Sn3 O4 Sn2 103.10(13) . .
Sn3 O4 H4 127(3) . .
Sn2 O4 H4 129(3) . .
Si1 C1 Sn1 113.8(2) . .
Si1 C1 H1A 108.8 . .
Sn1 C1 H1A 108.8 . .
Si1 C1 H1B 108.8 . .
Sn1 C1 H1B 108.8 . .
H1A C1 H1B 107.7 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C16 C11 C12 117.8(4) . .
C16 C11 Sn1 121.1(3) . .
C12 C11 Sn1 121.1(3) . .
C13 C12 C11 120.4(5) . .
C13 C12 H12A 119.8 . .
C11 C12 H12A 119.8 . .
C12 C13 C14 120.5(5) . .
C12 C13 H13A 119.7 . .
C14 C13 H13A 119.7 . .
C15 C14 C13 118.9(5) . .
C15 C14 H14A 120.5 . .
C13 C14 H14A 120.5 . .
C16 C15 C14 121.0(5) . .
C16 C15 H15A 119.5 . .
C14 C15 H15A 119.5 . .
C15 C16 C11 121.3(4) . .
C15 C16 H16A 119.3 . .
C11 C16 H16A 119.3 . .
C23' C21 C24' 115.0(16) . .
C22 C21 C24 110.1(5) . .
C22 C21 C23 108.9(6) . .
C24 C21 C23 107.7(5) . .
C23' C21 C22' 106.5(14) . .
C24' C21 C22' 104.7(12) . .
C23' C21 Sn2 111.2(9) . .
C22 C21 Sn2 109.2(4) . .
C24' C21 Sn2 112.9(13) . .
C24 C21 Sn2 110.9(5) . .
C23 C21 Sn2 109.9(3) . .
C22' C21 Sn2 105.7(11) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C22' H22D 109.5 . .
C21 C22' H22E 109.5 . .
H22D C22' H22E 109.5 . .
C21 C22' H22F 109.5 . .
H22D C22' H22F 109.5 . .
H22E C22' H22F 109.5 . .
C21 C23' H23D 109.5 . .
C21 C23' H23E 109.5 . .
H23D C23' H23E 109.5 . .
C21 C23' H23F 109.5 . .
H23D C23' H23F 109.5 . .
H23E C23' H23F 109.5 . .
C21 C24' H24D 109.5 . .
C21 C24' H24E 109.5 . .
H24D C24' H24E 109.5 . .
C21 C24' H24F 109.5 . .
H24D C24' H24F 109.5 . .
H24E C24' H24F 109.5 . .
C27 C25 C28 109.4(4) . .
C27 C25 C26 109.5(4) . .
C28 C25 C26 108.5(4) . .
C27 C25 Sn2 112.6(3) . .
C28 C25 Sn2 109.0(3) . .
C26 C25 Sn2 107.8(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C32 C31 C34 109.5(4) . .
C32 C31 C33 108.7(5) . .
C34 C31 C33 107.7(4) . .
C32 C31 Sn3 110.1(3) . .
C34 C31 Sn3 109.7(3) . .
C33 C31 Sn3 111.0(3) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C36 C35 C38 109.3(4) . .
C36 C35 C37 109.4(4) . .
C38 C35 C37 108.0(4) . .
C36 C35 Sn3 112.2(3) . .
C38 C35 Sn3 109.6(3) . .
C37 C35 Sn3 108.1(3) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O3 2.041(3) .
Sn1 C1 2.119(4) .
Sn1 C11 2.121(5) .
Sn1 O2 2.128(2) .
Sn1 O3 2.141(2) 3
Sn1 Sn1 3.2485(5) 3
Sn1 Sn3 3.3284(5) .
Sn2 O2 2.035(2) .
Sn2 O1 2.060(3) .
Sn2 C21 2.192(4) .
Sn2 C25 2.202(5) .
Sn2 O4 2.273(3) .
Sn2 Sn3 3.4640(4) .
Sn3 O2 2.049(3) .
Sn3 O4 2.149(3) .
Sn3 O3 2.161(2) .
Sn3 C35 2.187(5) .
Sn3 C31 2.196(5) .
Si1 O1 1.612(3) .
Si1 C2 1.863(5) .
Si1 C3 1.868(4) .
Si1 C1 1.870(4) .
O3 Sn1 2.141(2) 3
O4 H4 0.795(19) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C11 C16 1.392(6) .
C11 C12 1.395(5) .
C12 C13 1.378(7) .
C12 H12A 0.9500 .
C13 C14 1.383(6) .
C13 H13A 0.9500 .
C14 C15 1.377(6) .
C14 H14A 0.9500 .
C15 C16 1.353(6) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C21 C23' 1.43(3) .
C21 C22 1.487(9) .
C21 C24' 1.53(3) .
C21 C24 1.538(10) .
C21 C23 1.536(9) .
C21 C22' 1.54(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C22' H22D 0.9800 .
C22' H22E 0.9800 .
C22' H22F 0.9800 .
C23' H23D 0.9800 .
C23' H23E 0.9800 .
C23' H23F 0.9800 .
C24' H24D 0.9800 .
C24' H24E 0.9800 .
C24' H24F 0.9800 .
C25 C27 1.490(6) .
C25 C28 1.520(6) .
C25 C26 1.546(6) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C31 C32 1.507(7) .
C31 C34 1.526(6) .
C31 C33 1.528(6) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C36 1.515(6) .
C35 C38 1.534(5) .
C35 C37 1.536(6) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
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
C2 Si1 O1 Sn2 145.1(2)
C3 Si1 O1 Sn2 -95.6(3)
C1 Si1 O1 Sn2 26.1(3)
O1 Si1 C1 Sn1 44.3(3)
C2 Si1 C1 Sn1 -77.9(3)
C3 Si1 C1 Sn1 168.3(2)
C16 C11 C12 C13 2.5(7)
Sn1 C11 C12 C13 -175.6(4)
C11 C12 C13 C14 0.8(8)
C12 C13 C14 C15 -2.4(8)
C13 C14 C15 C16 0.7(8)
C14 C15 C16 C11 2.7(8)
C12 C11 C16 C15 -4.2(7)
Sn1 C11 C16 C15 173.9(4)
