#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/24/7012462.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_7012462
loop_
_publ_author_name
'Beckmann, Jens'
'Dakternieks, Dainis'
'Duthie, Andrew'
'Tiekink, Edward R. T.'
_publ_section_title
;
 Hydrolysis of (Me3SiCH2)PhSnCl2. Isomerisation of the dimeric
 tetraorganodistannoxane [(Me3SiCH2)Ph(Cl)SnOSn(Cl)Ph(CH2SiMe3)]2
;
_journal_issue                   4
_journal_name_full               'Dalton Transactions'
_journal_page_first              755
_journal_paper_doi               10.1039/b211070a
_journal_year                    2003
_chemical_formula_sum            'C40 H64 Cl4 O2 Si4 Sn4'
_chemical_formula_weight         1305.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.26(5)
_cell_angle_beta                 100.37(3)
_cell_angle_gamma                93.14(4)
_cell_formula_units_Z            3
_cell_length_a                   12.203(2)
_cell_length_b                   27.565(12)
_cell_length_c                   12.138(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173
_cell_measurement_theta_max      9.5
_cell_measurement_theta_min      7.2
_cell_volume                     4008(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.03208
_diffrn_orient_matrix_UB_12      0.03274
_diffrn_orient_matrix_UB_13      0.03065
_diffrn_orient_matrix_UB_21      -0.00387
_diffrn_orient_matrix_UB_22      -0.01049
_diffrn_orient_matrix_UB_23      0.07762
_diffrn_orient_matrix_UB_31      0.07695
_diffrn_orient_matrix_UB_32      -0.01182
_diffrn_orient_matrix_UB_33      0.00762
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_av_sigmaI/netI    0.048
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19237
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.167
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1932
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         4.23
_refine_diff_density_min         -2.46
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         18375
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_gt           0.033
_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)+(0.0273P)²+10.4804P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.078
_refine_ls_wR_factor_ref         0.088
_reflns_number_gt                13001
_reflns_number_total             18375
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b211070a.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012462
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.04515(2) 0.173932(10) 0.09643(2) 0.02206(6) Uani 1 1 d . . .
Sn2 Sn -0.16751(2) 0.124402(10) 0.19866(2) 0.02215(6) Uani 1 1 d . . .
Sn3 Sn 0.07232(2) 0.184656(11) 0.39651(2) 0.02500(7) Uani 1 1 d . . .
Sn4 Sn -0.20853(2) 0.124951(11) -0.10313(2) 0.02651(7) Uani 1 1 d . . .
Sn5 Sn 0.46635(3) 0.442499(11) 0.46037(3) 0.02710(7) Uani 1 1 d . . .
Sn6 Sn 0.73494(3) 0.475836(12) 0.66729(3) 0.03458(8) Uani 1 1 d . . .
Cl1 Cl 0.20762(9) 0.21738(4) 0.24894(9) 0.0293(2) Uani 1 1 d . . .
Cl2 Cl -0.34110(9) 0.09003(4) 0.04873(10) 0.0334(2) Uani 1 1 d . . .
Cl4 Cl -0.05223(10) 0.15585(5) -0.18499(10) 0.0391(3) Uani 1 1 d . . .
Cl3 Cl -0.07272(10) 0.14282(4) 0.47873(10) 0.0359(3) Uani 1 1 d . . .
Cl5 Cl 0.27667(10) 0.42709(4) 0.30836(10) 0.0383(3) Uani 1 1 d . . .
Cl6 Cl 0.70168(13) 0.39156(5) 0.59501(12) 0.0482(3) Uani 1 1 d . . .
Si1 Si 0.08174(13) 0.28435(5) -0.02341(11) 0.0355(3) Uani 1 1 d . . .
Si2 Si -0.37692(11) 0.18150(5) 0.30030(11) 0.0311(3) Uani 1 1 d . . .
Si3 Si 0.30186(11) 0.17587(5) 0.59210(11) 0.0336(3) Uani 1 1 d . . .
Si4 Si -0.32765(11) 0.02781(5) -0.27371(12) 0.0328(3) Uani 1 1 d . . .
Si5 Si 0.53807(12) 0.36075(5) 0.27480(12) 0.0335(3) Uani 1 1 d . . .
Si6 Si 1.01549(13) 0.48952(6) 0.73864(14) 0.0443(4) Uani 1 1 d . . .
O1 O -0.0032(2) 0.15689(10) 0.2452(2) 0.0225(6) Uani 1 1 d . . .
O2 O -0.1113(2) 0.13388(11) 0.0505(2) 0.0235(6) Uani 1 1 d . . .
O3 O 0.5905(3) 0.48910(11) 0.5632(3) 0.0292(7) Uani 1 1 d . . .
C1 C 0.1494(4) 0.12165(16) 0.0475(4) 0.0262(9) Uani 1 1 d . . .
C2 C 0.2635(4) 0.13120(18) 0.0589(4) 0.0343(11) Uani 1 1 d . . .
H2 H 0.2968 0.1610 0.0934 0.041 Uiso 1 1 calc R . .
C3 C 0.3300(4) 0.0974(2) 0.0203(5) 0.0423(12) Uani 1 1 d . . .
H3 H 0.4082 0.1043 0.0282 0.051 Uiso 1 1 calc R . .
C4 C 0.2823(5) 0.05435(19) -0.0289(4) 0.0417(12) Uani 1 1 d . . .
H4 H 0.3274 0.0314 -0.0557 0.050 Uiso 1 1 calc R . .
C5 C 0.1689(4) 0.04436(18) -0.0397(4) 0.0399(12) Uani 1 1 d . . .
H5 H 0.1361 0.0145 -0.0742 0.048 Uiso 1 1 calc R . .
C6 C 0.1025(4) 0.07736(17) -0.0011(4) 0.0323(10) Uani 1 1 d . . .
H6 H 0.0247 0.0698 -0.0076 0.039 Uiso 1 1 calc R . .
C7 C -0.0087(4) 0.24286(16) 0.0485(4) 0.0301(10) Uani 1 1 d . . .
H7A H -0.0822 0.2378 -0.0017 0.036 Uiso 1 1 calc R . .
H7B H -0.0213 0.2604 0.1168 0.036 Uiso 1 1 calc R . .
C8 C 0.1085(6) 0.3430(2) 0.0569(5) 0.0544(15) Uani 1 1 d . . .
H8A H 0.0373 0.3570 0.0617 0.082 Uiso 1 1 calc R . .
H8B H 0.1533 0.3655 0.0189 0.082 Uiso 1 1 calc R . .
H8C H 0.1491 0.3376 0.1325 0.082 Uiso 1 1 calc R . .
C9 C 0.0058(6) 0.2932(2) -0.1686(5) 0.0635(19) Uani 1 1 d . . .
H9A H -0.0075 0.2617 -0.2095 0.095 Uiso 1 1 calc R . .
H9B H 0.0508 0.3153 -0.2071 0.095 Uiso 1 1 calc R . .
H9C H -0.0658 0.3071 -0.1653 0.095 Uiso 1 1 calc R . .
C10 C 0.2176(5) 0.2583(2) -0.0317(5) 0.0522(15) Uani 1 1 d . . .
H10A H 0.2042 0.2272 -0.0740 0.078 Uiso 1 1 calc R . .
H10B H 0.2579 0.2531 0.0442 0.078 Uiso 1 1 calc R . .
H10C H 0.2622 0.2808 -0.0695 0.078 Uiso 1 1 calc R . .
C11 C -0.1350(4) 0.05489(15) 0.2636(4) 0.0263(9) Uani 1 1 d . . .
C12 C -0.2214(4) 0.02243(18) 0.2808(4) 0.0368(11) Uani 1 1 d . . .
H12 H -0.2967 0.0308 0.2608 0.044 Uiso 1 1 calc R . .
C13 C -0.1971(5) -0.0223(2) 0.3273(5) 0.0485(14) Uani 1 1 d . . .
H13 H -0.2560 -0.0444 0.3391 0.058 Uiso 1 1 calc R . .
C14 C -0.0887(5) -0.03452(19) 0.3562(5) 0.0469(14) Uani 1 1 d . . .
H14 H -0.0727 -0.0652 0.3875 0.056 Uiso 1 1 calc R . .
C15 C -0.0027(4) -0.00249(18) 0.3399(5) 0.0409(12) Uani 1 1 d . . .
H15 H 0.0725 -0.0109 0.3610 0.049 Uiso 1 1 calc R . .
C16 C -0.0260(4) 0.04205(17) 0.2928(4) 0.0322(10) Uani 1 1 d . . .
H16 H 0.0333 0.0638 0.2805 0.039 Uiso 1 1 calc R . .
C17 C -0.2496(3) 0.18698(16) 0.2335(4) 0.0273(9) Uani 1 1 d . . .
H17A H -0.1940 0.2091 0.2825 0.033 Uiso 1 1 calc R . .
H17B H -0.2709 0.2035 0.1619 0.033 Uiso 1 1 calc R . .
C18 C -0.4911(4) 0.2084(2) 0.2021(5) 0.0426(13) Uani 1 1 d . . .
H18A H -0.4690 0.2423 0.1893 0.064 Uiso 1 1 calc R . .
H18B H -0.5591 0.2074 0.2347 0.064 Uiso 1 1 calc R . .
H18C H -0.5054 0.1899 0.1307 0.064 Uiso 1 1 calc R . .
C19 C -0.4213(5) 0.1174(2) 0.3232(5) 0.0470(14) Uani 1 1 d . . .
H19A H -0.3620 0.1026 0.3747 0.070 Uiso 1 1 calc R . .
H19B H -0.4360 0.0990 0.2514 0.070 Uiso 1 1 calc R . .
H19C H -0.4894 0.1166 0.3555 0.070 Uiso 1 1 calc R . .
C20 C -0.3453(5) 0.2147(2) 0.4391(4) 0.0453(13) Uani 1 1 d . . .
H20A H -0.3218 0.2486 0.4287 0.068 Uiso 1 1 calc R . .
H20B H -0.2852 0.1993 0.4882 0.068 Uiso 1 1 calc R . .
H20C H -0.4123 0.2136 0.4733 0.068 Uiso 1 1 calc R . .
C21 C 0.0278(4) 0.25714(16) 0.4267(4) 0.0286(9) Uani 1 1 d . . .
C22 C -0.0389(4) 0.26464(18) 0.5061(4) 0.0345(10) Uani 1 1 d . . .
H22 H -0.0617 0.2380 0.5467 0.041 Uiso 1 1 calc R . .
C23 C -0.0729(5) 0.3112(2) 0.5268(5) 0.0470(14) Uani 1 1 d . . .
H23 H -0.1184 0.3163 0.5813 0.056 Uiso 1 1 calc R . .
C24 C -0.0396(5) 0.3495(2) 0.4671(5) 0.0476(14) Uani 1 1 d . . .
H24 H -0.0632 0.3811 0.4798 0.057 Uiso 1 1 calc R . .
C25 C 0.0269(5) 0.3424(2) 0.3900(5) 0.0482(14) Uani 1 1 d . . .
H25 H 0.0500 0.3693 0.3503 0.058 Uiso 1 1 calc R . .
C26 C 0.0614(4) 0.29648(18) 0.3686(4) 0.0371(11) Uani 1 1 d . . .
H26 H 0.1077 0.2920 0.3146 0.045 Uiso 1 1 calc R . .
C27 C 0.2087(4) 0.14496(16) 0.4688(4) 0.0302(10) Uani 1 1 d . . .
H27A H 0.1796 0.1134 0.4922 0.036 Uiso 1 1 calc R . .
H27B H 0.2538 0.1381 0.4107 0.036 Uiso 1 1 calc R . .
C28 C 0.3436(5) 0.2379(2) 0.5526(6) 0.0649(19) Uani 1 1 d . . .
H28A H 0.2772 0.2566 0.5337 0.097 Uiso 1 1 calc R . .
H28B H 0.3807 0.2357 0.4876 0.097 Uiso 1 1 calc R . .
H28C H 0.3950 0.2541 0.6157 0.097 Uiso 1 1 calc R . .
C29 C 0.2273(6) 0.1778(4) 0.7114(6) 0.091(3) Uani 1 1 d . . .
H29A H 0.1605 0.1962 0.6914 0.136 Uiso 1 1 calc R . .
H29B H 0.2764 0.1936 0.7765 0.136 Uiso 1 1 calc R . .
H29C H 0.2055 0.1446 0.7295 0.136 Uiso 1 1 calc R . .
C30 C 0.4287(5) 0.1414(2) 0.6265(6) 0.0613(18) Uani 1 1 d . . .
H30A H 0.4674 0.1411 0.5625 0.092 Uiso 1 1 calc R . .
H30B H 0.4076 0.1080 0.6435 0.092 Uiso 1 1 calc R . .
H30C H 0.4782 0.1569 0.6919 0.092 Uiso 1 1 calc R . .
C31 C -0.3093(4) 0.18576(18) -0.1407(4) 0.0348(11) Uani 1 1 d . . .
C32 C -0.3950(5) 0.1957(2) -0.0854(5) 0.0525(15) Uani 1 1 d . . .
H32 H -0.4144 0.1740 -0.0313 0.063 Uiso 1 1 calc R . .
C33 C -0.4532(6) 0.2374(3) -0.1085(6) 0.072(2) Uani 1 1 d . . .
H33 H -0.5118 0.2442 -0.0696 0.086 Uiso 1 1 calc R . .
C34 C -0.4268(6) 0.2686(2) -0.1863(6) 0.067(2) Uani 1 1 d . . .
H34 H -0.4663 0.2972 -0.2008 0.081 Uiso 1 1 calc R . .
C35 C -0.3422(6) 0.2587(2) -0.2446(6) 0.068(2) Uani 1 1 d . . .
H35 H -0.3245 0.2801 -0.3000 0.082 Uiso 1 1 calc R . .
C36 C -0.2839(5) 0.2175(2) -0.2211(5) 0.0518(15) Uani 1 1 d . . .
H36 H -0.2257 0.2107 -0.2606 0.062 Uiso 1 1 calc R . .
C37 C -0.2122(4) 0.05183(17) -0.1605(4) 0.0333(10) Uani 1 1 d . . .
H37A H -0.1411 0.0472 -0.1867 0.040 Uiso 1 1 calc R . .
H37B H -0.2128 0.0311 -0.0950 0.040 Uiso 1 1 calc R . .
C38 C -0.3293(5) 0.0661(2) -0.3981(5) 0.0520(14) Uani 1 1 d . . .
H38A H -0.3423 0.0997 -0.3782 0.078 Uiso 1 1 calc R . .
H38B H -0.3890 0.0536 -0.4587 0.078 Uiso 1 1 calc R . .
H38C H -0.2573 0.0653 -0.4231 0.078 Uiso 1 1 calc R . .
C39 C -0.4638(4) 0.0276(2) -0.2238(5) 0.0455(13) Uani 1 1 d . . .
H39A H -0.4784 0.0608 -0.2029 0.068 Uiso 1 1 calc R . .
H39B H -0.4607 0.0071 -0.1585 0.068 Uiso 1 1 calc R . .
H39C H -0.5237 0.0147 -0.2839 0.068 Uiso 1 1 calc R . .
C40 C -0.3022(5) -0.0359(2) -0.3128(5) 0.0527(15) Uani 1 1 d . . .
H40A H -0.3011 -0.0563 -0.2476 0.079 Uiso 1 1 calc R . .
H40B H -0.2302 -0.0364 -0.3378 0.079 Uiso 1 1 calc R . .
H40C H -0.3618 -0.0483 -0.3736 0.079 Uiso 1 1 calc R . .
C41 C 0.3914(4) 0.40981(16) 0.5881(4) 0.0322(10) Uani 1 1 d . . .
C42 C 0.4361(5) 0.4223(2) 0.6994(4) 0.0455(13) Uani 1 1 d . . .
H42 H 0.4981 0.4453 0.7167 0.055 Uiso 1 1 calc R . .
C43 C 0.3910(5) 0.4015(2) 0.7850(5) 0.0548(15) Uani 1 1 d . . .
H43 H 0.4239 0.4093 0.8608 0.066 Uiso 1 1 calc R . .
C44 C 0.2984(6) 0.3695(2) 0.7608(5) 0.0556(16) Uani 1 1 d . . .
H44 H 0.2666 0.3557 0.8197 0.067 Uiso 1 1 calc R . .
C45 C 0.2524(5) 0.3576(2) 0.6513(6) 0.0553(16) Uani 1 1 d . . .
H45 H 0.1881 0.3358 0.6345 0.066 Uiso 1 1 calc R . .
C46 C 0.2999(5) 0.3774(2) 0.5640(5) 0.0449(13) Uani 1 1 d . . .
H46 H 0.2689 0.3685 0.4884 0.054 Uiso 1 1 calc R . .
C47 C 0.5551(4) 0.42535(17) 0.3324(4) 0.0318(10) Uani 1 1 d . . .
H47A H 0.5323 0.4470 0.2695 0.038 Uiso 1 1 calc R . .
H47B H 0.6354 0.4331 0.3614 0.038 Uiso 1 1 calc R . .
C48 C 0.4517(5) 0.3585(2) 0.1314(5) 0.0509(14) Uani 1 1 d . . .
H48A H 0.4881 0.3794 0.0827 0.076 Uiso 1 1 calc R . .
H48B H 0.3778 0.3700 0.1350 0.076 Uiso 1 1 calc R . .
H48C H 0.4438 0.3250 0.1011 0.076 Uiso 1 1 calc R . .
C49 C 0.6806(5) 0.3404(2) 0.2689(5) 0.0454(13) Uani 1 1 d . . .
H49A H 0.7160 0.3616 0.2199 0.068 Uiso 1 1 calc R . .
H49B H 0.6747 0.3069 0.2392 0.068 Uiso 1 1 calc R . .
H49C H 0.7259 0.3422 0.3444 0.068 Uiso 1 1 calc R . .
C50 C 0.4688(5) 0.32101(18) 0.3675(5) 0.0497(15) Uani 1 1 d . . .
H50A H 0.5142 0.3222 0.4429 0.075 Uiso 1 1 calc R . .
H50B H 0.4609 0.2875 0.3372 0.075 Uiso 1 1 calc R . .
H50C H 0.3949 0.3325 0.3711 0.075 Uiso 1 1 calc R . .
C51 C 0.7084(5) 0.4638(2) 0.8328(4) 0.0415(12) Uani 1 1 d . . .
C52 C 0.6876(5) 0.5001(2) 0.9031(5) 0.0546(15) Uani 1 1 d . . .
H52 H 0.6856 0.5325 0.8783 0.066 Uiso 1 1 calc R . .
C53 C 0.6692(7) 0.4904(3) 1.0105(6) 0.073(2) Uani 1 1 d . . .
H53 H 0.6526 0.5161 1.0572 0.088 Uiso 1 1 calc R . .
C54 C 0.6746(6) 0.4444(3) 1.0496(6) 0.0662(19) Uani 1 1 d . . .
H54 H 0.6622 0.4380 1.1231 0.079 Uiso 1 1 calc R . .
C55 C 0.6983(6) 0.4073(3) 0.9808(5) 0.0671(19) Uani 1 1 d . . .
H55 H 0.7032 0.3752 1.0074 0.080 Uiso 1 1 calc R . .
C56 C 0.7148(5) 0.4168(2) 0.8726(5) 0.0532(15) Uani 1 1 d . . .
H56 H 0.7306 0.3911 0.8256 0.064 Uiso 1 1 calc R . .
C57 C 0.8936(4) 0.4909(2) 0.6209(4) 0.0398(12) Uani 1 1 d . . .
H57A H 0.9029 0.4668 0.5620 0.048 Uiso 1 1 calc R . .
H57B H 0.8943 0.5234 0.5879 0.048 Uiso 1 1 calc R . .
C58 C 1.1452(6) 0.5006(3) 0.6824(6) 0.071(2) Uani 1 1 d . . .
H58A H 1.1466 0.5331 0.6516 0.107 Uiso 1 1 calc R . .
H58B H 1.1480 0.4762 0.6232 0.107 Uiso 1 1 calc R . .
H58C H 1.2097 0.4982 0.7427 0.107 Uiso 1 1 calc R . .
C59 C 1.0061(6) 0.5365(3) 0.8487(6) 0.0670(19) Uani 1 1 d . . .
H59A H 0.9372 0.5302 0.8781 0.100 Uiso 1 1 calc R . .
H59B H 1.0058 0.5688 0.8162 0.100 Uiso 1 1 calc R . .
H59C H 1.0705 0.5354 0.9097 0.100 Uiso 1 1 calc R . .
C60 C 1.0165(6) 0.4282(3) 0.7975(7) 0.074(2) Uani 1 1 d . . .
H60A H 0.9483 0.4217 0.8281 0.111 Uiso 1 1 calc R . .
H60B H 1.0817 0.4266 0.8574 0.111 Uiso 1 1 calc R . .
H60C H 1.0200 0.4039 0.7383 0.111 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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 '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
O1 Sn1 C7 109.45(15) . . ?
O1 Sn1 C1 111.38(15) . . ?
C7 Sn1 C1 138.65(18) . . ?
O1 Sn1 O2 74.72(11) . . ?
C7 Sn1 O2 97.89(16) . . ?
C1 Sn1 O2 98.78(15) . . ?
O1 Sn1 Cl1 77.10(9) . . ?
C7 Sn1 Cl1 89.02(14) . . ?
C1 Sn1 Cl1 93.74(13) . . ?
O2 Sn1 Cl1 151.71(8) . . ?
O2 Sn2 C17 108.24(15) . . ?
O2 Sn2 C11 112.02(15) . . ?
C17 Sn2 C11 139.61(17) . . ?
O2 Sn2 O1 74.84(11) . . ?
C17 Sn2 O1 95.70(14) . . ?
C11 Sn2 O1 97.68(15) . . ?
O2 Sn2 Cl2 77.78(9) . . ?
C17 Sn2 Cl2 92.28(13) . . ?
C11 Sn2 Cl2 92.97(13) . . ?
O1 Sn2 Cl2 152.62(8) . . ?
O1 Sn3 C27 112.51(15) . . ?
O1 Sn3 C21 112.57(15) . . ?
C27 Sn3 C21 132.27(17) . . ?
O1 Sn3 Cl3 88.82(9) . . ?
C27 Sn3 Cl3 98.77(14) . . ?
C21 Sn3 Cl3 97.03(13) . . ?
O1 Sn3 Cl1 75.04(9) . . ?
C27 Sn3 Cl1 85.87(14) . . ?
C21 Sn3 Cl1 91.14(14) . . ?
Cl3 Sn3 Cl1 163.73(4) . . ?
O2 Sn4 C37 110.03(16) . . ?
O2 Sn4 C31 110.90(15) . . ?
C37 Sn4 C31 136.62(18) . . ?
O2 Sn4 Cl4 89.05(9) . . ?
C37 Sn4 Cl4 97.81(15) . . ?
C31 Sn4 Cl4 96.62(15) . . ?
O2 Sn4 Cl2 74.28(9) . . ?
C37 Sn4 Cl2 85.88(15) . . ?
C31 Sn4 Cl2 91.76(15) . . ?
Cl4 Sn4 Cl2 163.14(4) . . ?
O3 Sn5 C47 108.93(16) 2_666 . ?
O3 Sn5 C41 108.30(16) 2_666 . ?
C47 Sn5 C41 141.61(18) . . ?
O3 Sn5 O3 75.48(14) 2_666 . ?
C47 Sn5 O3 99.06(16) . . ?
C41 Sn5 O3 98.93(16) . . ?
O3 Sn5 Cl5 76.62(10) 2_666 . ?
C47 Sn5 Cl5 87.94(14) . . ?
C41 Sn5 Cl5 91.75(14) . . ?
O3 Sn5 Cl5 152.02(9) . . ?
O3 Sn6 C51 111.43(18) . . ?
O3 Sn6 C57 121.61(17) . . ?
C51 Sn6 C57 125.2(2) . . ?
O3 Sn6 Cl6 86.20(10) . . ?
C51 Sn6 Cl6 97.89(16) . . ?
C57 Sn6 Cl6 98.32(16) . . ?
O3 Sn6 Cl5 76.83(10) . 2_666 ?
C51 Sn6 Cl5 92.55(16) . 2_666 ?
C57 Sn6 Cl5 86.98(16) . 2_666 ?
Cl6 Sn6 Cl5 162.45(5) . 2_666 ?
Sn1 Cl1 Sn3 82.78(5) . . ?
Sn2 Cl2 Sn4 82.58(5) . . ?
Sn5 Cl5 Sn6 83.45(6) . 2_666 ?
C8 Si1 C10 108.9(3) . . ?
C8 Si1 C9 110.8(3) . . ?
C10 Si1 C9 108.7(3) . . ?
C8 Si1 C7 108.5(3) . . ?
C10 Si1 C7 111.9(2) . . ?
C9 Si1 C7 108.1(3) . . ?
C19 Si2 C18 108.5(3) . . ?
C19 Si2 C20 108.3(3) . . ?
C18 Si2 C20 112.1(2) . . ?
C19 Si2 C17 113.0(2) . . ?
C18 Si2 C17 106.5(2) . . ?
C20 Si2 C17 108.5(2) . . ?
C30 Si3 C29 110.8(4) . . ?
C30 Si3 C28 108.4(3) . . ?
C29 Si3 C28 111.4(4) . . ?
C30 Si3 C27 108.3(3) . . ?
C29 Si3 C27 109.3(3) . . ?
C28 Si3 C27 108.5(3) . . ?
C40 Si4 C38 109.0(3) . . ?
C40 Si4 C37 109.3(2) . . ?
C38 Si4 C37 108.6(3) . . ?
C40 Si4 C39 108.5(3) . . ?
C38 Si4 C39 111.2(3) . . ?
C37 Si4 C39 110.2(2) . . ?
C50 Si5 C48 109.5(3) . . ?
C50 Si5 C49 110.3(3) . . ?
C48 Si5 C49 110.0(3) . . ?
C50 Si5 C47 110.1(2) . . ?
C48 Si5 C47 109.5(3) . . ?
C49 Si5 C47 107.4(2) . . ?
C58 Si6 C60 108.2(4) . . ?
C58 Si6 C57 108.8(3) . . ?
C60 Si6 C57 108.6(3) . . ?
C58 Si6 C59 110.3(4) . . ?
C60 Si6 C59 110.5(4) . . ?
C57 Si6 C59 110.4(3) . . ?
Sn3 O1 Sn1 124.49(14) . . ?
Sn3 O1 Sn2 128.09(14) . . ?
Sn1 O1 Sn2 104.93(12) . . ?
Sn4 O2 Sn2 124.41(14) . . ?
Sn4 O2 Sn1 128.31(14) . . ?
Sn2 O2 Sn1 104.77(13) . . ?
Sn6 O3 Sn5 123.08(15) . 2_666 ?
Sn6 O3 Sn5 132.39(15) . . ?
Sn5 O3 Sn5 104.52(13) 2_666 . ?
C6 C1 C2 118.8(4) . . ?
C6 C1 Sn1 119.8(3) . . ?
C2 C1 Sn1 121.4(3) . . ?
C1 C2 C3 120.6(5) . . ?
C4 C3 C2 119.8(5) . . ?
C3 C4 C5 119.9(5) . . ?
C4 C5 C6 120.6(5) . . ?
C5 C6 C1 120.1(4) . . ?
Si1 C7 Sn1 119.4(2) . . ?
C16 C11 C12 119.3(4) . . ?
C16 C11 Sn2 119.4(3) . . ?
C12 C11 Sn2 121.2(3) . . ?
C13 C12 C11 119.9(5) . . ?
C14 C13 C12 120.3(5) . . ?
C13 C14 C15 120.2(5) . . ?
C14 C15 C16 119.9(5) . . ?
C11 C16 C15 120.4(5) . . ?
Si2 C17 Sn2 120.5(2) . . ?
C26 C21 C22 119.2(4) . . ?
C26 C21 Sn3 122.5(3) . . ?
C22 C21 Sn3 118.3(4) . . ?
C21 C22 C23 120.5(5) . . ?
C24 C23 C22 119.3(5) . . ?
C25 C24 C23 120.4(5) . . ?
C24 C25 C26 121.0(5) . . ?
C21 C26 C25 119.6(5) . . ?
Si3 C27 Sn3 114.9(2) . . ?
C32 C31 C36 118.9(5) . . ?
C32 C31 Sn4 122.7(4) . . ?
C36 C31 Sn4 118.4(4) . . ?
C31 C32 C33 120.2(6) . . ?
C34 C33 C32 120.6(7) . . ?
C33 C34 C35 120.0(6) . . ?
C36 C35 C34 119.4(7) . . ?
C31 C36 C35 120.9(6) . . ?
Si4 C37 Sn4 119.5(2) . . ?
C46 C41 C42 119.2(5) . . ?
C46 C41 Sn5 122.2(4) . . ?
C42 C41 Sn5 118.5(4) . . ?
C43 C42 C41 120.5(5) . . ?
C44 C43 C42 120.2(6) . . ?
C45 C44 C43 119.8(5) . . ?
C44 C45 C46 120.2(6) . . ?
C41 C46 C45 120.0(6) . . ?
Si5 C47 Sn5 117.2(2) . . ?
C52 C51 C56 118.3(5) . . ?
C52 C51 Sn6 123.0(4) . . ?
C56 C51 Sn6 118.6(4) . . ?
C51 C52 C53 121.1(6) . . ?
C54 C53 C52 120.8(7) . . ?
C53 C54 C55 119.1(6) . . ?
C54 C55 C56 120.2(7) . . ?
C55 C56 C51 120.5(6) . . ?
Si6 C57 Sn6 114.7(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 O1 2.055(3) . ?
Sn1 C7 2.104(4) . ?
Sn1 C1 2.117(4) . ?
Sn1 O2 2.129(3) . ?
Sn1 Cl1 2.6670(17) . ?
Sn2 O2 2.054(3) . ?
Sn2 C17 2.114(4) . ?
Sn2 C11 2.118(4) . ?
Sn2 O1 2.124(3) . ?
Sn2 Cl2 2.6483(16) . ?
Sn3 O1 2.015(3) . ?
Sn3 C27 2.110(4) . ?
Sn3 C21 2.140(4) . ?
Sn3 Cl3 2.4335(15) . ?
Sn3 Cl1 2.7785(15) . ?
Sn4 O2 2.024(3) . ?
Sn4 C37 2.113(5) . ?
Sn4 C31 2.142(5) . ?
Sn4 Cl4 2.4274(14) . ?
Sn4 Cl2 2.8147(16) . ?
Sn5 O3 2.053(3) 2_666 ?
Sn5 C47 2.106(5) . ?
Sn5 C41 2.130(5) . ?
Sn5 O3 2.130(3) . ?
Sn5 Cl5 2.6951(16) . ?
Sn6 O3 2.031(3) . ?
Sn6 C51 2.123(5) . ?
Sn6 C57 2.134(5) . ?
Sn6 Cl6 2.4514(19) . ?
Sn6 Cl5 2.6999(17) 2_666 ?
Cl5 Sn6 2.6999(17) 2_666 ?
Si1 C8 1.852(6) . ?
Si1 C10 1.861(6) . ?
Si1 C9 1.865(6) . ?
Si1 C7 1.882(5) . ?
Si2 C19 1.862(5) . ?
Si2 C18 1.863(5) . ?
Si2 C20 1.867(5) . ?
Si2 C17 1.877(4) . ?
Si3 C30 1.849(6) . ?
Si3 C29 1.844(7) . ?
Si3 C28 1.855(6) . ?
Si3 C27 1.866(5) . ?
Si4 C40 1.865(5) . ?
Si4 C38 1.860(6) . ?
Si4 C37 1.864(5) . ?
Si4 C39 1.867(5) . ?
Si5 C50 1.864(5) . ?
Si5 C48 1.863(6) . ?
Si5 C49 1.870(5) . ?
Si5 C47 1.886(5) . ?
Si6 C58 1.846(7) . ?
Si6 C60 1.849(7) . ?
Si6 C57 1.871(5) . ?
Si6 C59 1.863(7) . ?
O3 Sn5 2.053(3) 2_666 ?
C1 C6 1.391(6) . ?
C1 C2 1.384(6) . ?
C2 C3 1.395(6) . ?
C3 C4 1.369(7) . ?
C4 C5 1.378(7) . ?
C5 C6 1.379(7) . ?
C11 C16 1.381(6) . ?
C11 C12 1.392(6) . ?
C12 C13 1.391(7) . ?
C13 C14 1.369(8) . ?
C14 C15 1.379(7) . ?
C15 C16 1.388(6) . ?
C21 C26 1.389(7) . ?
C21 C22 1.388(6) . ?
C22 C23 1.401(7) . ?
C23 C24 1.378(8) . ?
C24 C25 1.362(8) . ?
C25 C26 1.390(7) . ?
C31 C32 1.376(7) . ?
C31 C36 1.389(8) . ?
C32 C33 1.393(8) . ?
C33 C34 1.360(10) . ?
C34 C35 1.388(10) . ?
C35 C36 1.382(8) . ?
C41 C46 1.375(7) . ?
C41 C42 1.391(7) . ?
C42 C43 1.381(8) . ?
C43 C44 1.380(9) . ?
C44 C45 1.371(9) . ?
C45 C46 1.403(8) . ?
C51 C52 1.364(8) . ?
C51 C56 1.392(8) . ?
C52 C53 1.392(9) . ?
C53 C54 1.362(10) . ?
C54 C55 1.382(10) . ?
C55 C56 1.393(8) . ?
