#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:53:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178728 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/39/4083973.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_4083973
loop_
_publ_author_name
'Henning, Jens'
'Eichele, Klaus'
'Fink, Reinhold F.'
'Wesemann, Lars'
_publ_section_title
;
 Structural and Spectroscopic Characterization of Tin--Tin Double Bonds in
 Cyclic Distannenes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3904
_journal_paper_doi               10.1021/om500645b
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C87 H114 O5 Sn2'
_chemical_formula_sum            'C87 H114 O5 Sn2'
_chemical_formula_weight         1477.16
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 98.0830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.6668(7)
_cell_length_b                   13.2199(4)
_cell_length_c                   27.3227(8)
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.42
_cell_volume                     8106.0(4)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_collection       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX--II CCD'
_diffrn_measurement_method       'φ and 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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0133
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            60976
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.997
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         8616
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0402P)²+13.6949P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0822
_reflns_number_gt                7469
_reflns_number_total             8616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500645b_si_002.cif
_cod_data_source_block           bisdihydroxystannan6
_cod_depositor_comments
'Adding full bibliography for 4083969--4083976.cif.'
_cod_database_code               4083973
#BEGIN Tags that were not found in dictionaries:
_computing_bruker_data_scaling   'SADABS V2008/1 (Bruker AXS)'
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.476512(7) 0.808415(11) 0.829761(5) 0.03311(6) Uani 1 1 d . . .
O1 O 0.42718(9) 0.72854(15) 0.78093(6) 0.0542(5) Uani 1 1 d . . .
H100 H 0.4293 0.7518 0.7526 0.049(8) Uiso 1 1 calc R . .
C1 C 0.46066(11) 0.96698(17) 0.82490(8) 0.0398(5) Uani 1 1 d . . .
C4 C 0.45002(18) 1.1758(2) 0.82658(10) 0.0689(10) Uani 1 1 d . . .
H4 H 0.4463 1.2473 0.8275 0.083 Uiso 1 1 calc R . .
C5 C 0.47532(14) 1.13199(17) 0.78799(9) 0.0510(7) Uani 1 1 d . . .
C6 C 0.5000 1.1972(2) 0.7500 0.0553(11) Uani 1 2 d S . .
O7 O 0.5000 0.97425(15) 0.7500 0.0370(5) Uani 1 2 d S . .
C8 C 0.47858(11) 1.02659(16) 0.78755(8) 0.0399(5) Uani 1 1 d . . .
C10 C 0.47054(9) 0.75485(16) 0.90333(7) 0.0323(4) Uani 1 1 d . . .
C9 C 0.45008(16) 1.2647(2) 0.72290(12) 0.0693(9) Uani 1 1 d . . .
H9A H 0.4669 1.3099 0.7000 0.104 Uiso 1 1 calc R . .
H9B H 0.4323 1.3050 0.7471 0.104 Uiso 1 1 calc R . .
H9C H 0.4194 1.2220 0.7044 0.104 Uiso 1 1 calc R . .
C11 C 0.52097(9) 0.76058(17) 0.93987(8) 0.0347(4) Uani 1 1 d . . .
C12 C 0.51559(10) 0.7379(2) 0.98900(8) 0.0437(5) Uani 1 1 d . . .
H12 H 0.5495 0.7431 1.0136 0.052 Uiso 1 1 calc R . .
C13 C 0.46158(11) 0.7081(2) 1.00216(9) 0.0508(6) Uani 1 1 d . . .
H13 H 0.4580 0.6951 1.0358 0.061 Uiso 1 1 calc R . .
C14 C 0.41290(11) 0.6974(2) 0.96605(9) 0.0484(6) Uani 1 1 d . . .
H14 H 0.3762 0.6745 0.9750 0.058 Uiso 1 1 calc R . .
C15 C 0.41649(10) 0.71936(19) 0.91648(8) 0.0386(5) Uani 1 1 d . . .
C16 C 0.58271(9) 0.78036(17) 0.92802(8) 0.0341(4) Uani 1 1 d . . .
C17 C 0.61645(10) 0.69761(17) 0.91473(9) 0.0390(5) Uani 1 1 d . . .
C18 C 0.67518(10) 0.71427(19) 0.90728(9) 0.0412(5) Uani 1 1 d . . .
H18 H 0.6979 0.6588 0.8981 0.049 Uiso 1 1 calc R . .
C19 C 0.70158(10) 0.80842(19) 0.91280(9) 0.0412(5) Uani 1 1 d . . .
C20 C 0.66742(10) 0.88893(18) 0.92551(9) 0.0404(5) Uani 1 1 d . . .
H20 H 0.6850 0.9542 0.9292 0.048 Uiso 1 1 calc R . .
C21 C 0.60816(10) 0.87720(17) 0.93300(8) 0.0352(5) Uani 1 1 d . . .
C22 C 0.59144(12) 0.5907(2) 0.90981(12) 0.0569(7) Uani 1 1 d . . .
H22 H 0.5481 0.5944 0.9129 0.068 Uiso 1 1 calc R . .
C23 C 0.62133(17) 0.5234(3) 0.95160(16) 0.0872(12) Uani 1 1 d . . .
H23A H 0.6056 0.4545 0.9472 0.131 Uiso 1 1 calc R . .
H23B H 0.6131 0.5502 0.9834 0.131 Uiso 1 1 calc R . .
H23C H 0.6645 0.5226 0.9510 0.131 Uiso 1 1 calc R . .
C24 C 0.59710(18) 0.5439(2) 0.86036(15) 0.0850(11) Uani 1 1 d . . .
H24A H 0.5818 0.4744 0.8594 0.127 Uiso 1 1 calc R . .
H24B H 0.6391 0.5431 0.8555 0.127 Uiso 1 1 calc R . .
H24C H 0.5740 0.5836 0.8341 0.127 Uiso 1 1 calc R . .
C28 C 0.57315(11) 0.96794(18) 0.94759(9) 0.0421(5) Uani 1 1 d . . .
H28 H 0.5299 0.9508 0.9400 0.051 Uiso 1 1 calc R . .
C27 C 0.77775(16) 0.7788(3) 0.85449(14) 0.0831(11) Uani 1 1 d . . .
H27A H 0.8189 0.7928 0.8494 0.125 Uiso 1 1 calc R . .
H27B H 0.7503 0.8107 0.8281 0.125 Uiso 1 1 calc R . .
H27C H 0.7710 0.7055 0.8539 0.125 Uiso 1 1 calc R . .
C26 C 0.80755(12) 0.7669(3) 0.94492(12) 0.0647(8) Uani 1 1 d . . .
H26A H 0.8489 0.7756 0.9390 0.097 Uiso 1 1 calc R . .
H26B H 0.7975 0.6948 0.9437 0.097 Uiso 1 1 calc R . .
H26C H 0.8030 0.7941 0.9775 0.097 Uiso 1 1 calc R . .
C25 C 0.76660(11) 0.8225(2) 0.90578(11) 0.0533(7) Uani 1 1 d . . .
H25A H 0.7766 0.8962 0.9073 0.064 Uiso 1 1 calc R . .
C29 C 0.58679(14) 0.9879(2) 1.00314(10) 0.0593(7) Uani 1 1 d . . .
H29A H 0.5641 1.0468 1.0117 0.089 Uiso 1 1 calc R . .
H29B H 0.6295 1.0009 1.0121 0.089 Uiso 1 1 calc R . .
H29C H 0.5755 0.9286 1.0213 0.089 Uiso 1 1 calc R . .
C30 C 0.58363(14) 1.0637(2) 0.91853(12) 0.0587(7) Uani 1 1 d . . .
H30A H 0.5560 1.1167 0.9259 0.088 Uiso 1 1 calc R . .
H30B H 0.5769 1.0488 0.8830 0.088 Uiso 1 1 calc R . .
H30C H 0.6247 1.0869 0.9280 0.088 Uiso 1 1 calc R . .
C31 C 0.36282(10) 0.6941(2) 0.87949(9) 0.0451(6) Uani 1 1 d . B .
C32 C 0.36331(11) 0.6054(2) 0.85132(10) 0.0491(6) Uani 1 1 d . . .
C33 C 0.31130(13) 0.5755(3) 0.82143(12) 0.0674(8) Uani 1 1 d . . .
H33 H 0.3117 0.5150 0.8027 0.081 Uiso 1 1 calc R . .
C34 C 0.25995(16) 0.6303(3) 0.81813(15) 0.0923(13) Uani 1 1 d . A .
C35 C 0.26055(15) 0.7194(4) 0.84513(17) 0.1022(16) Uani 1 1 d . A .
H35 H 0.2254 0.7593 0.8422 0.123 Uiso 1 1 calc R . .
C36 C 0.31115(12) 0.7529(3) 0.87670(12) 0.0693(9) Uani 1 1 d . . .
C37 C 0.41818(12) 0.53995(19) 0.85353(11) 0.0532(6) Uani 1 1 d . . .
H37 H 0.4534 0.5859 0.8602 0.064 Uiso 1 1 calc R . .
C38 C 0.42265(16) 0.4641(3) 0.89654(15) 0.0795(10) Uani 1 1 d . . .
H38A H 0.4573 0.4202 0.8956 0.119 Uiso 1 1 calc R . .
H38B H 0.3864 0.4228 0.8934 0.119 Uiso 1 1 calc R . .
H38C H 0.4270 0.5009 0.9280 0.119 Uiso 1 1 calc R . .
C39 C 0.42304(16) 0.4856(2) 0.80516(14) 0.0753(9) Uani 1 1 d . . .
H39A H 0.4632 0.4574 0.8062 0.113 Uiso 1 1 calc R . .
H39B H 0.4154 0.5336 0.7777 0.113 Uiso 1 1 calc R . .
H39C H 0.3937 0.4308 0.8004 0.113 Uiso 1 1 calc R . .
C40 C 0.2019(2) 0.5934(4) 0.78592(19) 0.1087(17) Uani 1 1 d . . .
H40A H 0.1800 0.6561 0.7736 0.130 Uiso 0.415(8) 1 calc PR A 1
H40B H 0.1715 0.6274 0.8034 0.130 Uiso 0.585(8) 1 calc PR A 2
C3 C 0.43046(16) 1.1199(2) 0.86294(10) 0.0682(9) Uani 1 1 d . . .
H3 H 0.4128 1.1523 0.8883 0.082 Uiso 1 1 calc R . .
C2 C 0.43641(13) 1.0152(2) 0.86277(9) 0.0522(7) Uani 1 1 d . . .
H2 H 0.4238 0.9763 0.8887 0.063 Uiso 1 1 calc R . .
O2 O 0.55684(8) 0.78788(15) 0.81123(6) 0.0489(4) Uani 1 1 d . . .
H200 H 0.5825 0.7942 0.8364 0.086(13) Uiso 1 1 calc R . .
C41 C 0.2197(4) 0.5361(8) 0.7364(3) 0.073(3) Uani 0.415(8) 1 d P A 1
H41A H 0.1836 0.5241 0.7129 0.110 Uiso 0.415(8) 1 calc PR A 1
H41B H 0.2389 0.4713 0.7460 0.110 Uiso 0.415(8) 1 calc PR A 1
H41C H 0.2472 0.5789 0.7209 0.110 Uiso 0.415(8) 1 calc PR A 1
C42 C 0.1672(4) 0.5462(8) 0.8120(3) 0.067(2) Uani 0.415(8) 1 d P A 1
H42A H 0.1305 0.5265 0.7908 0.080 Uiso 0.415(8) 1 calc PR A 1
H42B H 0.1573 0.5907 0.8384 0.080 Uiso 0.415(8) 1 calc PR A 1
H42C H 0.1874 0.4855 0.8266 0.080 Uiso 0.415(8) 1 calc PR A 1
C44 C 0.3101(4) 0.8600(10) 0.9017(6) 0.054(3) Uani 0.62(3) 1 d P B 1
H44 H 0.3513 0.8746 0.9184 0.065 Uiso 0.62(3) 1 calc PR B 1
C46 C 0.2909(5) 0.9487(9) 0.8670(8) 0.085(4) Uani 0.62(3) 1 d P B 1
H46A H 0.2967 1.0123 0.8854 0.128 Uiso 0.62(3) 1 calc PR B 1
H46B H 0.2487 0.9412 0.8535 0.128 Uiso 0.62(3) 1 calc PR B 1
H46C H 0.3150 0.9493 0.8399 0.128 Uiso 0.62(3) 1 calc PR B 1
C45 C 0.2702(4) 0.8492(13) 0.9415(7) 0.083(4) Uani 0.62(3) 1 d P B 1
H45A H 0.2685 0.9137 0.9589 0.125 Uiso 0.62(3) 1 calc PR B 1
H45B H 0.2863 0.7968 0.9651 0.125 Uiso 0.62(3) 1 calc PR B 1
H45C H 0.2300 0.8301 0.9264 0.125 Uiso 0.62(3) 1 calc PR B 1
C51 C 0.1947(3) 0.6415(7) 0.7460(3) 0.112(3) Uani 0.585(8) 1 d P A 2
H51A H 0.1591 0.6165 0.7250 0.134 Uiso 0.585(8) 1 calc PR A 2
H51B H 0.2296 0.6322 0.7290 0.134 Uiso 0.585(8) 1 calc PR A 2
H51C H 0.1897 0.7136 0.7528 0.134 Uiso 0.585(8) 1 calc PR A 2
C47 C 0.1833(4) 0.4822(9) 0.7906(4) 0.122(4) Uani 0.585(8) 1 d P A 2
H47A H 0.1433 0.4721 0.7723 0.184 Uiso 0.585(8) 1 calc PR A 2
H47B H 0.1831 0.4656 0.8255 0.184 Uiso 0.585(8) 1 calc PR A 2
H47C H 0.2116 0.4382 0.7768 0.184 Uiso 0.585(8) 1 calc PR A 2
C48 C 0.3036(7) 0.8283(18) 0.9154(6) 0.055(3) Uani 0.38(3) 1 d P B 2
H48 H 0.3445 0.8473 0.9313 0.066 Uiso 0.38(3) 1 calc PR B 2
C49 C 0.2674(7) 0.807(2) 0.9570(6) 0.081(4) Uani 0.38(3) 1 d P B 2
H49A H 0.2678 0.8661 0.9784 0.121 Uiso 0.38(3) 1 calc PR B 2
H49B H 0.2848 0.7488 0.9764 0.121 Uiso 0.38(3) 1 calc PR B 2
H49C H 0.2262 0.7906 0.9430 0.121 Uiso 0.38(3) 1 calc PR B 2
C50 C 0.2782(7) 0.9209(16) 0.8856(6) 0.066(4) Uani 0.38(3) 1 d P B 2
H50A H 0.2802 0.9801 0.9074 0.099 Uiso 0.38(3) 1 calc PR B 2
H50B H 0.2366 0.9080 0.8718 0.099 Uiso 0.38(3) 1 calc PR B 2
H50C H 0.3015 0.9337 0.8587 0.099 Uiso 0.38(3) 1 calc PR B 2
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'
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 O2 102.29(8) . .
O1 Sn1 C1 114.80(9) . .
O2 Sn1 C1 105.84(9) . .
O1 Sn1 C10 111.04(8) . .
O2 Sn1 C10 112.03(7) . .
C1 Sn1 C10 110.49(8) . .
C2 C1 C8 118.1(2) . .
C2 C1 Sn1 119.02(18) . .
C8 C1 Sn1 122.58(16) . .
C3 C4 C5 122.5(2) . .
C8 C5 C4 116.7(3) . .
C8 C5 C6 122.5(2) . .
C4 C5 C6 120.8(2) . .
C5 C6 C5 110.7(3) . 2_656
C5 C6 C9 109.91(17) . .
C5 C6 C9 108.44(16) 2_656 .
C5 C6 C9 108.43(16) . 2_656
C5 C6 C9 109.91(17) 2_656 2_656
C9 C6 C9 109.5(3) . 2_656
C8 O7 C8 119.9(2) . 2_656
O7 C8 C1 115.44(18) . .
O7 C8 C5 122.1(2) . .
C1 C8 C5 122.5(2) . .
C15 C10 C11 119.09(18) . .
C15 C10 Sn1 121.33(15) . .
C11 C10 Sn1 119.49(15) . .
C12 C11 C10 119.81(19) . .
C12 C11 C16 117.00(18) . .
C10 C11 C16 122.92(19) . .
C13 C12 C11 120.8(2) . .
C14 C13 C12 119.5(2) . .
C13 C14 C15 121.4(2) . .
C14 C15 C10 119.2(2) . .
C14 C15 C31 116.9(2) . .
C10 C15 C31 123.6(2) . .
C21 C16 C17 120.13(19) . .
C21 C16 C11 121.4(2) . .
C17 C16 C11 118.4(2) . .
C18 C17 C16 118.6(2) . .
C18 C17 C22 119.1(2) . .
C16 C17 C22 122.3(2) . .
C19 C18 C17 122.4(2) . .
C18 C19 C20 118.0(2) . .
C18 C19 C25 120.5(2) . .
C20 C19 C25 121.4(2) . .
C19 C20 C21 122.2(2) . .
C20 C21 C16 118.6(2) . .
C20 C21 C28 119.9(2) . .
C16 C21 C28 121.5(2) . .
C24 C22 C17 112.5(3) . .
C24 C22 C23 110.3(3) . .
C17 C22 C23 110.7(3) . .
C21 C28 C29 110.8(2) . .
C21 C28 C30 113.0(2) . .
C29 C28 C30 110.4(2) . .
C26 C25 C19 111.2(2) . .
C26 C25 C27 107.1(3) . .
C19 C25 C27 110.4(3) . .
C36 C31 C32 120.4(2) . .
C36 C31 C15 120.3(2) . .
C32 C31 C15 119.0(2) . .
C33 C32 C31 119.1(3) . .
C33 C32 C37 119.0(3) . .
C31 C32 C37 121.8(2) . .
C34 C33 C32 122.2(3) . .
C33 C34 C35 118.1(3) . .
C33 C34 C40 121.2(4) . .
C35 C34 C40 120.7(3) . .
C34 C35 C36 122.6(3) . .
C31 C36 C35 117.6(3) . .
C31 C36 C48 121.0(6) . .
C35 C36 C48 118.9(6) . .
C31 C36 C44 122.7(4) . .
C35 C36 C44 119.2(4) . .
C32 C37 C39 113.3(2) . .
C32 C37 C38 111.7(3) . .
C39 C37 C38 110.5(3) . .
C51 C40 C42 135.1(6) . .
C51 C40 C34 109.3(6) . .
C42 C40 C34 111.8(5) . .
C51 C40 C47 123.5(7) . .
C42 C40 C47 45.5(6) . .
C34 C40 C47 118.2(4) . .
C51 C40 C41 62.4(6) . .
C42 C40 C41 117.9(7) . .
C34 C40 C41 108.9(4) . .
C47 C40 C41 74.4(6) . .
C4 C3 C2 119.8(3) . .
C3 C2 C1 120.4(3) . .
C45 C44 C46 111.7(6) . .
C45 C44 C36 105.9(8) . .
C46 C44 C36 116.2(7) . .
C36 C48 C50 103.4(10) . .
C36 C48 C49 122.3(13) . .
C50 C48 C49 110.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 1.9303(18) .
Sn1 O2 1.9760(17) .
Sn1 C1 2.128(2) .
Sn1 C10 2.153(2) .
C1 C2 1.392(3) .
C1 C8 1.394(3) .
C4 C3 1.361(5) .
C4 C5 1.395(4) .
C5 C8 1.395(3) .
C5 C6 1.515(3) .
C6 C5 1.515(3) 2_656
C6 C9 1.546(3) .
C6 C9 1.546(3) 2_656
O7 C8 1.381(2) .
O7 C8 1.381(2) 2_656
C10 C15 1.405(3) .
C10 C11 1.410(3) .
C11 C12 1.397(3) .
C11 C16 1.503(3) .
C12 C13 1.381(3) .
C13 C14 1.380(3) .
C14 C15 1.399(3) .
C15 C31 1.506(3) .
C16 C21 1.403(3) .
C16 C17 1.411(3) .
C17 C18 1.392(3) .
C17 C22 1.522(3) .
C18 C19 1.380(3) .
C19 C20 1.389(3) .
C19 C25 1.524(3) .
C20 C21 1.395(3) .
C21 C28 1.522(3) .
C22 C24 1.508(5) .
C22 C23 1.528(4) .
C28 C29 1.529(3) .
C28 C30 1.531(4) .
C27 C25 1.568(5) .
C26 C25 1.505(4) .
C31 C36 1.399(4) .
C31 C32 1.403(4) .
C32 C33 1.393(4) .
C32 C37 1.509(4) .
C33 C34 1.363(5) .
C34 C35 1.389(6) .
C34 C40 1.555(5) .
C35 C36 1.406(4) .
C36 C48 1.480(17) .
C36 C44 1.574(9) .
C37 C39 1.522(4) .
C37 C38 1.537(4) .
C40 C51 1.254(8) .
C40 C42 1.295(9) .
C40 C47 1.540(11) .
C40 C41 1.649(9) .
C3 C2 1.391(4) .
C44 C45 1.517(10) .
C44 C46 1.532(9) .
C48 C50 1.535(15) .
C48 C49 1.520(14) .
