#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:56:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178761 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/15/4101581.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_4101581
loop_
_publ_author_name
'Fischer, Roland C'
'Pu, Lihung'
'Fettinger, James C'
'Brynda, Marcin A'
'Power, Philip P'
_publ_section_title
;
 Very large changes in bond length and bond angle in a heavy group 14
 element alkyne analogue by modification of a remote ligand
 substituent.
;
_journal_issue                   35
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11366
_journal_page_last               11367
_journal_paper_doi               10.1021/ja0637090
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         '2(C33 H45 Si Sn), C4 H10 O'
_chemical_formula_sum            'C70 H100 O Si2 Sn2'
_chemical_formula_weight         1251.06
_chemical_melting_point          184.0(10)
_chemical_name_systematic        {[4-Me3Si-2,6-(2,6-iPr2-C6H3)2-C6H2]Sn}2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 114.407(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.605(3)
_cell_length_b                   24.573(5)
_cell_length_c                   12.733(3)
_cell_measurement_reflns_used    4275
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.46
_cell_measurement_theta_min      2.17
_cell_volume                     3306.5(12)
_computing_cell_refinement       'SAINT (7.23A) (Bruker, 2005)'
_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_data_reduction        'SAINT (7.23A) (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART1000'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1290
_diffrn_reflns_av_sigmaI/netI    0.1230
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23348
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.93
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.831
_exptl_absorpt_correction_T_max  0.9365
_exptl_absorpt_correction_T_min  0.8448
_exptl_absorpt_correction_type   'Empirical, SADABS (multi-scan)'
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1312
_exptl_crystal_recrystallization_method Diethylether
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.077
_refine_diff_density_min         -1.476
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5975
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1111
_refine_ls_R_factor_gt           0.0557
_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)+(0.0365P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1246
_reflns_number_gt                3272
_reflns_number_total             5975
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0637090si20060526_072032.cif
_cod_data_source_block           1395ffmi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '183-185' was changed to '184.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4101581
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 1.02317(4) 0.45639(2) 0.42482(4) 0.02686(15) Uani 1 1 d . . .
Si1 Si 0.49635(17) 0.29155(8) 0.24253(16) 0.0251(4) Uani 1 1 d . . .
C1 C 0.8397(5) 0.4136(2) 0.3637(5) 0.0177(13) Uani 1 1 d . . .
C2 C 0.7400(5) 0.4200(2) 0.2560(5) 0.0210(14) Uani 1 1 d . . .
C3 C 0.6353(5) 0.3840(2) 0.2215(5) 0.0215(14) Uani 1 1 d . . .
H3 H 0.5664 0.3892 0.1486 0.026 Uiso 1 1 calc R . .
C4 C 0.6309(5) 0.3415(2) 0.2915(5) 0.0208(14) Uani 1 1 d . . .
C5 C 0.7334(5) 0.3352(2) 0.3966(5) 0.0220(14) Uani 1 1 d . . .
H5 H 0.7331 0.3059 0.4452 0.026 Uiso 1 1 calc R . .
C6 C 0.8353(5) 0.3696(2) 0.4330(5) 0.0204(13) Uani 1 1 d . . .
C7 C 0.7459(5) 0.4600(2) 0.1709(5) 0.0192(13) Uani 1 1 d . . .
C8 C 0.6803(5) 0.5100(2) 0.1484(5) 0.0236(14) Uani 1 1 d . . .
C9 C 0.6892(5) 0.5453(3) 0.0674(5) 0.0327(15) Uani 1 1 d . . .
H9 H 0.6433 0.5785 0.0514 0.039 Uiso 1 1 calc R . .
C10 C 0.7632(6) 0.5331(3) 0.0095(6) 0.0393(19) Uani 1 1 d . . .
H10 H 0.7702 0.5583 -0.0442 0.047 Uiso 1 1 calc R . .
C11 C 0.8266(5) 0.4846(3) 0.0294(5) 0.0281(15) Uani 1 1 d . . .
H11 H 0.8761 0.4763 -0.0121 0.034 Uiso 1 1 calc R . .
C12 C 0.8202(5) 0.4471(2) 0.1094(5) 0.0225(14) Uani 1 1 d . . .
C13 C 0.5971(6) 0.5238(2) 0.2128(5) 0.0284(16) Uani 1 1 d . . .
H13 H 0.5514 0.4898 0.2160 0.034 Uiso 1 1 calc R . .
C14 C 0.6752(6) 0.5402(3) 0.3328(6) 0.0451(18) Uani 1 1 d . . .
H14A H 0.7416 0.5131 0.3695 0.068 Uiso 1 1 calc R . .
H14B H 0.6218 0.5428 0.3754 0.068 Uiso 1 1 calc R . .
H14C H 0.7140 0.5757 0.3333 0.068 Uiso 1 1 calc R . .
C15 C 0.4960(6) 0.5671(3) 0.1488(6) 0.048(2) Uani 1 1 d . . .
H15A H 0.4342 0.5689 0.1828 0.073 Uiso 1 1 calc R . .
H15B H 0.4529 0.5572 0.0671 0.073 Uiso 1 1 calc R . .
H15C H 0.5367 0.6026 0.1558 0.073 Uiso 1 1 calc R . .
C16 C 0.8816(6) 0.3918(2) 0.1208(5) 0.0275(15) Uani 1 1 d . . .
H16 H 0.8949 0.3768 0.1980 0.033 Uiso 1 1 calc R . .
C17 C 1.0121(6) 0.3934(3) 0.1148(6) 0.0370(18) Uani 1 1 d . . .
H17A H 1.0538 0.3580 0.1382 0.056 Uiso 1 1 calc R . .
H17B H 1.0646 0.4217 0.1668 0.056 Uiso 1 1 calc R . .
H17C H 1.0004 0.4015 0.0357 0.056 Uiso 1 1 calc R . .
C18 C 0.7939(6) 0.3529(3) 0.0295(6) 0.0422(19) Uani 1 1 d . . .
H18A H 0.7128 0.3505 0.0361 0.063 Uiso 1 1 calc R . .
H18B H 0.8328 0.3167 0.0411 0.063 Uiso 1 1 calc R . .
H18C H 0.7797 0.3663 -0.0473 0.063 Uiso 1 1 calc R . .
C19 C 0.9534(5) 0.3594(2) 0.5457(5) 0.0257(16) Uani 1 1 d . . .
C20 C 1.0514(5) 0.3277(2) 0.5372(5) 0.0254(15) Uani 1 1 d . . .
C21 C 1.1558(6) 0.3163(3) 0.6377(5) 0.0318(16) Uani 1 1 d . . .
H21 H 1.2233 0.2957 0.6341 0.038 Uiso 1 1 calc R . .
C22 C 1.1642(6) 0.3342(3) 0.7430(5) 0.0357(17) Uani 1 1 d . . .
H22 H 1.2354 0.3246 0.8114 0.043 Uiso 1 1 calc R . .
C23 C 1.0685(6) 0.3664(3) 0.7497(5) 0.0349(17) Uani 1 1 d . . .
H23 H 1.0780 0.3804 0.8223 0.042 Uiso 1 1 calc R . .
C24 C 0.9592(6) 0.3784(2) 0.6516(5) 0.0260(14) Uani 1 1 d . . .
C25 C 1.0402(5) 0.3039(2) 0.4231(5) 0.0246(14) Uani 1 1 d . . .
H25 H 0.9767 0.3262 0.3599 0.029 Uiso 1 1 calc R . .
C26 C 1.1646(6) 0.3061(3) 0.4084(6) 0.0360(17) Uani 1 1 d . . .
H26A H 1.1970 0.3434 0.4206 0.054 Uiso 1 1 calc R . .
H26B H 1.1497 0.2942 0.3303 0.054 Uiso 1 1 calc R . .
H26C H 1.2266 0.2819 0.4649 0.054 Uiso 1 1 calc R . .
C27 C 0.9893(6) 0.2456(3) 0.4096(5) 0.0349(17) Uani 1 1 d . . .
H27A H 1.0491 0.2228 0.4711 0.052 Uiso 1 1 calc R . .
H27B H 0.9789 0.2312 0.3345 0.052 Uiso 1 1 calc R . .
H27C H 0.9073 0.2456 0.4147 0.052 Uiso 1 1 calc R . .
C28 C 0.8531(6) 0.4096(3) 0.6608(6) 0.0310(16) Uani 1 1 d . . .
H28 H 0.8098 0.4304 0.5873 0.037 Uiso 1 1 calc R . .
C29 C 0.8970(7) 0.4501(3) 0.7582(5) 0.0436(19) Uani 1 1 d . . .
H29A H 0.9248 0.4308 0.8319 0.065 Uiso 1 1 calc R . .
H29B H 0.8270 0.4746 0.7498 0.065 Uiso 1 1 calc R . .
H29C H 0.9676 0.4714 0.7564 0.065 Uiso 1 1 calc R . .
C30 C 0.7561(6) 0.3708(3) 0.6721(6) 0.0424(18) Uani 1 1 d . . .
H30A H 0.7244 0.3462 0.6056 0.064 Uiso 1 1 calc R . .
H30B H 0.6856 0.3918 0.6747 0.064 Uiso 1 1 calc R . .
H30C H 0.7962 0.3496 0.7431 0.064 Uiso 1 1 calc R . .
C31 C 0.5490(6) 0.2262(3) 0.2008(6) 0.0426(18) Uani 1 1 d . . .
H31A H 0.4777 0.2008 0.1714 0.064 Uiso 1 1 calc R . .
H31B H 0.6176 0.2104 0.2684 0.064 Uiso 1 1 calc R . .
H31C H 0.5792 0.2333 0.1407 0.064 Uiso 1 1 calc R . .
C32 C 0.3601(6) 0.3207(3) 0.1191(6) 0.045(2) Uani 1 1 d . . .
H32A H 0.3792 0.3215 0.0510 0.067 Uiso 1 1 calc R . .
H32B H 0.3441 0.3578 0.1381 0.067 Uiso 1 1 calc R . .
H32C H 0.2849 0.2982 0.1030 0.067 Uiso 1 1 calc R . .
C33 C 0.4549(6) 0.2753(3) 0.3650(6) 0.0397(18) Uani 1 1 d . . .
H33A H 0.4348 0.3090 0.3951 0.060 Uiso 1 1 calc R . .
H33B H 0.5268 0.2573 0.4261 0.060 Uiso 1 1 calc R . .
H33C H 0.3813 0.2511 0.3386 0.060 Uiso 1 1 calc R . .
C41 C 0.3647(15) 0.4357(6) 0.3272(14) 0.047(4) Uani 0.50 1 d PU A -1
H41A H 0.2900 0.4426 0.3426 0.070 Uiso 0.50 1 calc PR A -1
H41B H 0.3639 0.3978 0.3027 0.070 Uiso 0.50 1 calc PR A -1
H41C H 0.3638 0.4601 0.2660 0.070 Uiso 0.50 1 calc PR A -1
C42 C 0.4823(15) 0.4458(6) 0.4350(13) 0.037(4) Uani 0.50 1 d PU A -1
H42A H 0.4863 0.4199 0.4960 0.044 Uiso 0.50 1 calc PR A -1
H42B H 0.5583 0.4403 0.4193 0.044 Uiso 0.50 1 calc PR A -1
O41 O 0.4794(14) 0.5003(8) 0.4724(10) 0.036(4) Uani 0.50 1 d PU A -1
C43 C 0.5796(16) 0.5140(7) 0.5726(14) 0.041(4) Uani 0.50 1 d PU A -1
H43A H 0.6594 0.5072 0.5640 0.050 Uiso 0.50 1 calc PR A -1
H43B H 0.5795 0.4906 0.6358 0.050 Uiso 0.50 1 calc PR A -1
C44 C 0.575(2) 0.5726(8) 0.6039(19) 0.059(6) Uani 0.50 1 d PU A -1
H44A H 0.5445 0.5949 0.5338 0.089 Uiso 0.50 1 calc PR A -1
H44B H 0.6600 0.5846 0.6561 0.089 Uiso 0.50 1 calc PR A -1
H44C H 0.5175 0.5766 0.6422 0.089 Uiso 0.50 1 calc PR A -1
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'
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_3
C1 Sn1 Sn1 99.25(14) 3_766
C32 Si1 C33 111.7(3) .
C32 Si1 C31 110.8(3) .
C33 Si1 C31 106.4(3) .
C32 Si1 C4 109.3(3) .
C33 Si1 C4 109.2(3) .
C31 Si1 C4 109.3(3) .
C2 C1 C6 118.3(5) .
C2 C1 Sn1 125.6(4) .
C6 C1 Sn1 115.0(4) .
C1 C2 C3 119.5(5) .
C1 C2 C7 121.6(5) .
C3 C2 C7 118.5(5) .
C4 C3 C2 121.6(5) .
C4 C3 H3 119.2 .
C2 C3 H3 119.2 .
C5 C4 C3 117.3(5) .
C5 C4 Si1 120.9(4) .
C3 C4 Si1 121.7(4) .
C6 C5 C4 122.5(6) .
C6 C5 H5 118.8 .
C4 C5 H5 118.8 .
C5 C6 C1 120.7(5) .
C5 C6 C19 121.8(5) .
C1 C6 C19 117.3(5) .
C8 C7 C12 118.9(5) .
C8 C7 C2 122.7(5) .
C12 C7 C2 118.4(5) .
C9 C8 C7 119.8(5) .
C9 C8 C13 121.0(5) .
C7 C8 C13 119.2(5) .
C10 C9 C8 121.2(6) .
C10 C9 H9 119.4 .
C8 C9 H9 119.4 .
C11 C10 C9 119.8(6) .
C11 C10 H10 120.1 .
C9 C10 H10 120.1 .
C10 C11 C12 121.6(6) .
C10 C11 H11 119.2 .
C12 C11 H11 119.2 .
C11 C12 C7 118.7(5) .
C11 C12 C16 119.9(5) .
C7 C12 C16 121.1(5) .
C14 C13 C8 111.1(5) .
C14 C13 C15 111.5(6) .
C8 C13 C15 112.2(5) .
C14 C13 H13 107.2 .
C8 C13 H13 107.2 .
C15 C13 H13 107.2 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C12 C16 C18 110.5(5) .
C12 C16 C17 113.8(5) .
C18 C16 C17 109.7(5) .
C12 C16 H16 107.5 .
C18 C16 H16 107.5 .
C17 C16 H16 107.5 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C24 C19 C20 122.3(5) .
C24 C19 C6 120.8(5) .
C20 C19 C6 116.8(5) .
C21 C20 C19 117.7(6) .
C21 C20 C25 120.3(5) .
C19 C20 C25 121.9(5) .
C22 C21 C20 121.4(6) .
C22 C21 H21 119.3 .
C20 C21 H21 119.3 .
C21 C22 C23 120.2(6) .
C21 C22 H22 119.9 .
C23 C22 H22 119.9 .
C22 C23 C24 121.2(6) .
C22 C23 H23 119.4 .
C24 C23 H23 119.4 .
C23 C24 C19 117.1(5) .
C23 C24 C28 120.8(6) .
C19 C24 C28 122.1(6) .
C20 C25 C26 113.0(5) .
C20 C25 C27 110.0(5) .
C26 C25 C27 111.0(5) .
C20 C25 H25 107.5 .
C26 C25 H25 107.5 .
C27 C25 H25 107.5 .
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 .
C24 C28 C29 113.3(6) .
C24 C28 C30 110.4(5) .
C29 C28 C30 110.3(5) .
C24 C28 H28 107.5 .
C29 C28 H28 107.5 .
C30 C28 H28 107.5 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C28 C30 H30A 109.5 .
C28 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C28 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
Si1 C31 H31A 109.5 .
Si1 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
Si1 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
Si1 C32 H32A 109.5 .
Si1 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
Si1 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
Si1 C33 H33A 109.5 .
Si1 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
Si1 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C42 C41 H41A 109.5 .
C42 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C42 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
O41 C42 C41 108.8(12) .
O41 C42 H42A 109.9 .
C41 C42 H42A 109.9 .
O41 C42 H42B 109.9 .
C41 C42 H42B 109.9 .
H42A C42 H42B 108.3 .
C43 O41 C42 114.5(13) .
O41 C43 C44 112.0(16) .
O41 C43 H43A 109.2 .
C44 C43 H43A 109.2 .
O41 C43 H43B 109.2 .
C44 C43 H43B 109.2 .
H43A C43 H43B 107.9 .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C1 2.208(5) .
Sn1 Sn1 3.0660(10) 3_766
Si1 C32 1.852(6) .
Si1 C33 1.855(6) .
Si1 C31 1.871(7) .
Si1 C4 1.878(6) .
C1 C2 1.390(8) .
C1 C6 1.410(8) .
C2 C3 1.418(8) .
C2 C7 1.486(8) .
C3 C4 1.390(8) .
C3 H3 0.9500 .
C4 C5 1.383(8) .
C5 C6 1.369(8) .
C5 H5 0.9500 .
C6 C19 1.540(8) .
C7 C8 1.410(8) .
C7 C12 1.420(7) .
C8 C9 1.384(8) .
C8 C13 1.541(8) .
C9 C10 1.376(8) .
C9 H9 0.9500 .
C10 C11 1.367(9) .
C10 H10 0.9500 .
C11 C12 1.398(8) .
C11 H11 0.9500 .
C12 C16 1.513(8) .
C13 C14 1.474(9) .
C13 C15 1.543(8) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C18 1.525(8) .
C16 C17 1.548(8) .
C16 H16 1.0000 .
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 C24 1.402(8) .
C19 C20 1.420(8) .
C20 C21 1.379(8) .
C20 C25 1.521(8) .
C21 C22 1.376(8) .
C21 H21 0.9500 .
C22 C23 1.394(9) .
C22 H22 0.9500 .
C23 C24 1.395(8) .
C23 H23 0.9500 .
C24 C28 1.496(8) .
C25 C26 1.531(8) .
C25 C27 1.532(8) .
C25 H25 1.0000 .
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 C29 1.506(8) .
C28 C30 1.526(8) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C41 C42 1.50(2) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 O41 1.43(2) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
O41 C43 1.37(2) .
C43 C44 1.50(2) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
