#------------------------------------------------------------------------------
#$Date: 2024-07-05 17:58:24 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292891 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/13/1571341.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_1571341
loop_
_publ_author_name
'Sugamata, Koh'
'Asakawa, Teppei'
'Minoura, Mao'
_publ_section_title
;
 A tin analogue of propadiene with cumulated C[double bond, length as
 m-dash]Sn double bonds.
;
_journal_issue                   19
_journal_name_full               'Chemical science'
_journal_page_first              7072
_journal_page_last               7078
_journal_paper_doi               10.1039/d4sc00093e
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C56 H60 Si4 Sn'
_chemical_formula_weight         964.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-15 deposited with the CCDC.	2024-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                71.074(4)
_cell_angle_beta                 75.050(4)
_cell_angle_gamma                84.125(3)
_cell_formula_units_Z            2
_cell_length_a                   11.5084(4)
_cell_length_b                   13.1355(5)
_cell_length_c                   17.4215(7)
_cell_measurement_reflns_used    30440
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.0830
_cell_measurement_theta_min      1.9790
_cell_volume                     2406.38(17)
_computing_cell_refinement       'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)'
_computing_molecular_graphics
'Olex2 1.3-ac4 (Dolomanov et al., 2009)''Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material
'Olex2 1.3-ac4 (Dolomanov et al., 2009)''Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            145010
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         1.639
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       rod
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         11021
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0270
_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)+(0.0124P)²+2.5802P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0556
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10464
_reflns_number_total             11021
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc00093e3.cif
_cod_data_source_block           230408_CSnCMe2H2_autored
_cod_depositor_comments
'Adding full bibliography for 1571336--1571341.cif.'
_cod_database_code               1571341
_shelx_shelxl_version_number     2018/3
_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   0.967
_shelx_estimated_absorpt_t_max   0.987
loop_
_space_group_symop_operation_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_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 0.55361(2) 0.26375(2) 0.76802(2) 0.00915(3) Uani 1 1 d . . . . .
C1 C 0.64651(14) 0.22134(13) 0.65587(10) 0.0099(3) Uani 1 1 d . . . . .
H1 H 0.707681 0.165139 0.674281 0.012 Uiso 1 1 calc R U . . .
C2 C 0.68967(14) 0.30029(13) 0.82269(10) 0.0098(3) Uani 1 1 d . . . . .
H2 H 0.758586 0.330745 0.774351 0.012 Uiso 1 1 calc R U . . .
C3 C 0.42133(16) 0.38819(14) 0.73521(11) 0.0160(3) Uani 1 1 d . . . . .
H3 H 0.378901 0.370462 0.699271 0.024 Uiso 1 1 calc R U . . .
H3A H 0.461436 0.457155 0.705323 0.024 Uiso 1 1 calc R U . . .
H3B H 0.363549 0.393506 0.786133 0.024 Uiso 1 1 calc R U . . .
C4 C 0.44121(16) 0.14168(15) 0.86336(11) 0.0172(4) Uani 1 1 d . . . . .
H4 H 0.443193 0.144915 0.918424 0.026 Uiso 1 1 calc R U . . .
H4A H 0.470605 0.070758 0.858591 0.026 Uiso 1 1 calc R U . . .
H4B H 0.358437 0.153533 0.856680 0.026 Uiso 1 1 calc R U . . .
Si1 Si 0.54982(4) 0.15410(4) 0.61508(3) 0.01006(9) Uani 1 1 d . . . . .
C5 C 0.46156(16) 0.25399(15) 0.54697(11) 0.0168(4) Uani 1 1 d . . . . .
H5 H 0.516187 0.292859 0.494375 0.025 Uiso 1 1 calc R U . . .
H5A H 0.419955 0.305209 0.575655 0.025 Uiso 1 1 calc R U . . .
H5B H 0.402318 0.216229 0.535192 0.025 Uiso 1 1 calc R U . . .
C6 C 0.65413(15) 0.07197(13) 0.55469(11) 0.0127(3) Uani 1 1 d . . . . .
C7 C 0.64280(16) 0.07103(15) 0.47677(11) 0.0176(4) Uani 1 1 d . . . . .
H7 H 0.576698 0.108037 0.455692 0.021 Uiso 1 1 calc R U . . .
C8 C 0.72668(18) 0.01682(17) 0.42950(13) 0.0236(4) Uani 1 1 d . . . . .
H8 H 0.717781 0.017643 0.376580 0.028 Uiso 1 1 calc R U . . .
C9 C 0.82269(18) -0.03807(16) 0.45972(13) 0.0246(4) Uani 1 1 d . . . . .
H9 H 0.880246 -0.074410 0.427313 0.029 Uiso 1 1 calc R U . . .
C10 C 0.83511(17) -0.04016(15) 0.53716(13) 0.0207(4) Uani 1 1 d . . . . .
H10 H 0.900650 -0.078588 0.558179 0.025 Uiso 1 1 calc R U . . .
C11 C 0.75139(16) 0.01416(14) 0.58426(11) 0.0157(3) Uani 1 1 d . . . . .
H11 H 0.760420 0.011970 0.637464 0.019 Uiso 1 1 calc R U . . .
C12 C 0.43418(15) 0.06181(14) 0.69926(10) 0.0129(3) Uani 1 1 d . . . . .
C13 C 0.31873(16) 0.10103(15) 0.72780(11) 0.0160(4) Uani 1 1 d . . . . .
H13 H 0.300947 0.175699 0.706840 0.019 Uiso 1 1 calc R U . . .
C14 C 0.22956(17) 0.03364(17) 0.78594(12) 0.0206(4) Uani 1 1 d . . . . .
H14 H 0.152348 0.062462 0.804851 0.025 Uiso 1 1 calc R U . . .
C15 C 0.25357(18) -0.07580(17) 0.81629(12) 0.0234(4) Uani 1 1 d . . . . .
H15 H 0.192353 -0.122559 0.854944 0.028 Uiso 1 1 calc R U . . .
C16 C 0.36708(19) -0.11636(16) 0.78995(12) 0.0239(4) Uani 1 1 d . . . . .
H16 H 0.384149 -0.191102 0.811414 0.029 Uiso 1 1 calc R U . . .
C17 C 0.45683(17) -0.04856(14) 0.73212(11) 0.0177(4) Uani 1 1 d . . . . .
H17 H 0.534493 -0.077717 0.714764 0.021 Uiso 1 1 calc R U . . .
C18 C 0.65391(16) 0.46753(13) 0.56090(11) 0.0144(3) Uani 1 1 d . . . . .
H18 H 0.644359 0.488059 0.611517 0.022 Uiso 1 1 calc R U . . .
H18A H 0.574476 0.461146 0.552255 0.022 Uiso 1 1 calc R U . . .
H18B H 0.699432 0.522657 0.512687 0.022 Uiso 1 1 calc R U . . .
Si2 Si 0.73686(4) 0.33534(4) 0.57284(3) 0.00961(9) Uani 1 1 d . . . . .
C19 C 0.78289(15) 0.31779(13) 0.46491(10) 0.0116(3) Uani 1 1 d . . . . .
C20 C 0.73048(16) 0.38030(14) 0.40015(11) 0.0147(3) Uani 1 1 d . . . . .
H20 H 0.665007 0.427567 0.411936 0.018 Uiso 1 1 calc R U . . .
C21 C 0.77157(17) 0.37520(15) 0.31887(11) 0.0189(4) Uani 1 1 d . . . . .
H21 H 0.734191 0.418641 0.276220 0.023 Uiso 1 1 calc R U . . .
C22 C 0.86667(18) 0.30698(16) 0.30028(12) 0.0217(4) Uani 1 1 d . . . . .
H22 H 0.895277 0.303589 0.244888 0.026 Uiso 1 1 calc R U . . .
C23 C 0.92004(17) 0.24339(16) 0.36337(12) 0.0199(4) Uani 1 1 d . . . . .
H23 H 0.984829 0.195689 0.351196 0.024 Uiso 1 1 calc R U . . .
C24 C 0.87911(16) 0.24926(14) 0.44411(11) 0.0152(3) Uani 1 1 d . . . . .
H24 H 0.917225 0.205780 0.486343 0.018 Uiso 1 1 calc R U . . .
C25 C 0.88192(15) 0.34611(14) 0.60062(10) 0.0115(3) Uani 1 1 d . . . . .
C26 C 0.96003(16) 0.25778(14) 0.61963(11) 0.0157(3) Uani 1 1 d . . . . .
H26 H 0.936907 0.189021 0.622462 0.019 Uiso 1 1 calc R U . . .
C27 C 1.07090(17) 0.26797(16) 0.63453(12) 0.0201(4) Uani 1 1 d . . . . .
H27 H 1.123700 0.207283 0.645270 0.024 Uiso 1 1 calc R U . . .
C28 C 1.10383(16) 0.36714(16) 0.63360(11) 0.0192(4) Uani 1 1 d . . . . .
H28 H 1.178685 0.374263 0.644697 0.023 Uiso 1 1 calc R U . . .
C29 C 1.02736(16) 0.45573(15) 0.61646(11) 0.0175(4) Uani 1 1 d . . . . .
H29 H 1.049025 0.523445 0.616765 0.021 Uiso 1 1 calc R U . . .
C30 C 0.91876(16) 0.44538(14) 0.59878(11) 0.0141(3) Uani 1 1 d . . . . .
H30 H 0.868338 0.507219 0.585129 0.017 Uiso 1 1 calc R U . . .
Si3 Si 0.63330(4) 0.41306(4) 0.86907(3) 0.01121(9) Uani 1 1 d . . . . .
C31 C 0.47825(16) 0.38508(15) 0.93854(12) 0.0178(4) Uani 1 1 d . . . . .
H31 H 0.446588 0.448260 0.956105 0.027 Uiso 1 1 calc R U . . .
H31A H 0.481603 0.323095 0.987896 0.027 Uiso 1 1 calc R U . . .
H31B H 0.425524 0.369276 0.907926 0.027 Uiso 1 1 calc R U . . .
C32 C 0.63215(16) 0.54094(14) 0.77990(11) 0.0144(3) Uani 1 1 d . . . . .
C33 C 0.74039(17) 0.58039(14) 0.72235(11) 0.0173(4) Uani 1 1 d . . . . .
H33 H 0.813278 0.541341 0.728812 0.021 Uiso 1 1 calc R U . . .
C34 C 0.74356(18) 0.67518(15) 0.65613(12) 0.0208(4) Uani 1 1 d . . . . .
H34 H 0.818143 0.700931 0.618829 0.025 Uiso 1 1 calc R U . . .
C35 C 0.63783(19) 0.73186(15) 0.64474(12) 0.0221(4) Uani 1 1 d . . . . .
H35 H 0.639491 0.796282 0.599386 0.027 Uiso 1 1 calc R U . . .
C36 C 0.52958(18) 0.69406(15) 0.69987(13) 0.0219(4) Uani 1 1 d . . . . .
H36 H 0.456721 0.732006 0.691588 0.026 Uiso 1 1 calc R U . . .
C37 C 0.52703(17) 0.60066(14) 0.76742(12) 0.0177(4) Uani 1 1 d . . . . .
H37 H 0.452445 0.577114 0.805712 0.021 Uiso 1 1 calc R U . . .
C38 C 0.72634(16) 0.44133(14) 0.93515(11) 0.0151(3) Uani 1 1 d . . . . .
C39 C 0.78495(18) 0.53889(16) 0.91179(12) 0.0221(4) Uani 1 1 d . . . . .
H39 H 0.784424 0.590025 0.858830 0.027 Uiso 1 1 calc R U . . .
C40 C 0.84395(19) 0.56312(18) 0.96391(13) 0.0268(4) Uani 1 1 d . . . . .
H40 H 0.883080 0.629963 0.946231 0.032 Uiso 1 1 calc R U . . .
C41 C 0.84573(18) 0.49014(17) 1.04135(13) 0.0252(4) Uani 1 1 d . . . . .
H41 H 0.886093 0.506419 1.076997 0.030 Uiso 1 1 calc R U . . .
C42 C 0.7883(2) 0.39340(17) 1.06640(13) 0.0269(4) Uani 1 1 d . . . . .
H42 H 0.788979 0.342806 1.119553 0.032 Uiso 1 1 calc R U . . .
C43 C 0.72954(19) 0.36993(16) 1.01387(12) 0.0234(4) Uani 1 1 d . . . . .
H43 H 0.690267 0.303067 1.032210 0.028 Uiso 1 1 calc R U . . .
Si4 Si 0.75144(4) 0.17431(4) 0.88982(3) 0.01043(9) Uani 1 1 d . . . . .
C44 C 0.64624(16) 0.11850(15) 0.99469(11) 0.0172(4) Uani 1 1 d . . . . .
H44 H 0.616326 0.176824 1.018713 0.026 Uiso 1 1 calc R U . . .
H44A H 0.689043 0.064373 1.031791 0.026 Uiso 1 1 calc R U . . .
H44B H 0.578351 0.085113 0.988389 0.026 Uiso 1 1 calc R U . . .
C45 C 0.78411(15) 0.05667(13) 0.84595(10) 0.0125(3) Uani 1 1 d . . . . .
C46 C 0.70325(17) -0.02719(15) 0.86974(13) 0.0214(4) Uani 1 1 d . . . . .
H46 H 0.626015 -0.021798 0.904748 0.026 Uiso 1 1 calc R U . . .
C47 C 0.73263(19) -0.11809(16) 0.84364(14) 0.0265(4) Uani 1 1 d . . . . .
H47 H 0.675464 -0.173162 0.860421 0.032 Uiso 1 1 calc R U . . .
C48 C 0.84479(19) -0.12841(15) 0.79336(12) 0.0227(4) Uani 1 1 d . . . . .
H48 H 0.865212 -0.190493 0.775621 0.027 Uiso 1 1 calc R U . . .
C49 C 0.92696(18) -0.04752(16) 0.76914(12) 0.0218(4) Uani 1 1 d . . . . .
H49 H 1.004302 -0.054024 0.734643 0.026 Uiso 1 1 calc R U . . .
C50 C 0.89676(16) 0.04350(14) 0.79513(11) 0.0163(4) Uani 1 1 d . . . . .
H50 H 0.954414 0.098274 0.777824 0.020 Uiso 1 1 calc R U . . .
C51 C 0.90014(15) 0.20536(14) 0.90312(11) 0.0127(3) Uani 1 1 d . . . . .
C52 C 0.96812(16) 0.29349(15) 0.84795(11) 0.0170(4) Uani 1 1 d . . . . .
H52 H 0.938897 0.339583 0.802035 0.020 Uiso 1 1 calc R U . . .
C53 C 1.07740(17) 0.31530(16) 0.85866(13) 0.0222(4) Uani 1 1 d . . . . .
H53 H 1.122171 0.375502 0.820072 0.027 Uiso 1 1 calc R U . . .
C54 C 1.12139(17) 0.24932(17) 0.92564(13) 0.0233(4) Uani 1 1 d . . . . .
H54 H 1.195711 0.264695 0.933337 0.028 Uiso 1 1 calc R U . . .
C55 C 1.05653(17) 0.16115(16) 0.98105(12) 0.0217(4) Uani 1 1 d . . . . .
H55 H 1.086230 0.115680 1.026953 0.026 Uiso 1 1 calc R U . . .
C56 C 0.94752(17) 0.13903(15) 0.96950(12) 0.0178(4) Uani 1 1 d . . . . .
H56 H 0.904272 0.077597 1.007468 0.021 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'
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
_geom_angle_publ_flag
C4 Sn1 C3 100.62(7) . . ?
C4 Sn1 C1 115.42(7) . . ?
C3 Sn1 C1 108.28(6) . . ?
C4 Sn1 C2 107.55(6) . . ?
C3 Sn1 C2 116.98(6) . . ?
C1 Sn1 C2 108.16(6) . . ?
Si1 C1 Si2 113.65(8) . . ?
Si1 C1 Sn1 114.58(8) . . ?
Si2 C1 Sn1 112.82(8) . . ?
Si4 C2 Si3 117.95(8) . . ?
Si4 C2 Sn1 111.61(8) . . ?
Si3 C2 Sn1 110.03(8) . . ?
C5 Si1 C6 110.61(8) . . ?
C5 Si1 C1 112.05(8) . . ?
C6 Si1 C1 106.61(7) . . ?
C5 Si1 C12 105.07(8) . . ?
C6 Si1 C12 108.39(8) . . ?
C1 Si1 C12 114.11(7) . . ?
C7 C6 C11 117.42(16) . . ?
C7 C6 Si1 121.92(13) . . ?
C11 C6 Si1 120.55(13) . . ?
C8 C7 C6 121.31(17) . . ?
C9 C8 C7 119.94(18) . . ?
C8 C9 C10 120.07(18) . . ?
C9 C10 C11 119.94(18) . . ?
C10 C11 C6 121.30(17) . . ?
C17 C12 C13 117.27(16) . . ?
C17 C12 Si1 122.08(13) . . ?
C13 C12 Si1 120.54(13) . . ?
C14 C13 C12 121.77(17) . . ?
C15 C14 C13 119.83(18) . . ?
C16 C15 C14 119.56(18) . . ?
C15 C16 C17 120.57(18) . . ?
C16 C17 C12 120.97(18) . . ?
C18 Si2 C25 108.38(8) . . ?
C18 Si2 C1 112.19(8) . . ?
C25 Si2 C1 109.65(7) . . ?
C18 Si2 C19 106.46(8) . . ?
C25 Si2 C19 105.48(7) . . ?
C1 Si2 C19 114.31(7) . . ?
C20 C19 C24 116.71(16) . . ?
C20 C19 Si2 121.58(13) . . ?
C24 C19 Si2 121.42(13) . . ?
C21 C20 C19 121.90(16) . . ?
C22 C21 C20 120.05(17) . . ?
C21 C22 C23 119.37(17) . . ?
C24 C23 C22 120.30(17) . . ?
C23 C24 C19 121.66(16) . . ?
C26 C25 C30 117.11(16) . . ?
C26 C25 Si2 122.08(13) . . ?
C30 C25 Si2 120.73(13) . . ?
C27 C26 C25 121.72(17) . . ?
C28 C27 C26 119.71(17) . . ?
C29 C28 C27 119.87(17) . . ?
C28 C29 C30 119.88(17) . . ?
C29 C30 C25 121.65(17) . . ?
C31 Si3 C32 110.29(8) . . ?
C31 Si3 C2 110.74(8) . . ?
C32 Si3 C2 107.63(7) . . ?
C31 Si3 C38 105.46(8) . . ?
C32 Si3 C38 106.04(8) . . ?
C2 Si3 C38 116.54(7) . . ?
C37 C32 C33 117.08(16) . . ?
C37 C32 Si3 122.98(14) . . ?
C33 C32 Si3 119.94(13) . . ?
C34 C33 C32 121.72(18) . . ?
C35 C34 C33 119.89(18) . . ?
C34 C35 C36 119.62(18) . . ?
C35 C36 C37 120.36(18) . . ?
C36 C37 C32 121.29(18) . . ?
C43 C38 C39 116.34(17) . . ?
C43 C38 Si3 121.23(14) . . ?
C39 C38 Si3 122.11(14) . . ?
C40 C39 C38 121.90(19) . . ?
C41 C40 C39 120.14(19) . . ?
C42 C41 C40 119.39(18) . . ?
C41 C42 C43 120.05(19) . . ?
C42 C43 C38 122.18(18) . . ?
C44 Si4 C2 112.53(8) . . ?
C44 Si4 C51 109.95(8) . . ?
C2 Si4 C51 108.75(7) . . ?
C44 Si4 C45 104.19(8) . . ?
C2 Si4 C45 115.70(7) . . ?
C51 Si4 C45 105.39(7) . . ?
C50 C45 C46 116.29(16) . . ?
C50 C45 Si4 120.89(13) . . ?
C46 C45 Si4 122.44(13) . . ?
C47 C46 C45 122.03(18) . . ?
C48 C47 C46 120.13(18) . . ?
C47 C48 C49 119.35(18) . . ?
C48 C49 C50 120.23(18) . . ?
C49 C50 C45 121.96(17) . . ?
C52 C51 C56 117.16(16) . . ?
C52 C51 Si4 122.25(13) . . ?
C56 C51 Si4 120.59(13) . . ?
C53 C52 C51 121.55(17) . . ?
C52 C53 C54 120.14(18) . . ?
C55 C54 C53 119.68(17) . . ?
C54 C55 C56 119.92(18) . . ?
C55 C56 C51 121.54(17) . . ?
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 C4 2.1428(17) . ?
Sn1 C3 2.1562(17) . ?
Sn1 C1 2.1857(16) . ?
Sn1 C2 2.1930(16) . ?
C1 Si1 1.8814(17) . ?
C1 Si2 1.8851(17) . ?
C2 Si4 1.8826(17) . ?
C2 Si3 1.8914(17) . ?
Si1 C5 1.8709(18) . ?
Si1 C6 1.8792(18) . ?
Si1 C12 1.8872(18) . ?
C6 C7 1.401(2) . ?
C6 C11 1.402(2) . ?
C7 C8 1.395(3) . ?
C8 C9 1.381(3) . ?
C9 C10 1.384(3) . ?
C10 C11 1.393(3) . ?
C12 C17 1.399(2) . ?
C12 C13 1.401(2) . ?
C13 C14 1.389(3) . ?
C14 C15 1.387(3) . ?
C15 C16 1.381(3) . ?
C16 C17 1.394(3) . ?
C18 Si2 1.8704(17) . ?
Si2 C25 1.8843(17) . ?
Si2 C19 1.9004(17) . ?
C19 C20 1.400(2) . ?
C19 C24 1.403(2) . ?
C20 C21 1.394(2) . ?
C21 C22 1.382(3) . ?
C22 C23 1.389(3) . ?
C23 C24 1.388(2) . ?
C25 C26 1.398(2) . ?
C25 C30 1.400(2) . ?
C26 C27 1.393(2) . ?
C27 C28 1.387(3) . ?
C28 C29 1.385(3) . ?
C29 C30 1.391(2) . ?
Si3 C31 1.8749(18) . ?
Si3 C32 1.8836(18) . ?
Si3 C38 1.8986(18) . ?
C32 C37 1.399(2) . ?
C32 C33 1.406(3) . ?
C33 C34 1.392(3) . ?
C34 C35 1.385(3) . ?
C35 C36 1.386(3) . ?
C36 C37 1.394(3) . ?
C38 C43 1.395(3) . ?
C38 C39 1.400(3) . ?
C39 C40 1.392(3) . ?
C40 C41 1.382(3) . ?
C41 C42 1.380(3) . ?
C42 C43 1.391(3) . ?
Si4 C44 1.8742(18) . ?
Si4 C51 1.8860(18) . ?
Si4 C45 1.9006(18) . ?
C45 C50 1.398(2) . ?
C45 C46 1.402(2) . ?
C46 C47 1.392(3) . ?
C47 C48 1.382(3) . ?
C48 C49 1.382(3) . ?
C49 C50 1.393(3) . ?
C51 C52 1.397(2) . ?
C51 C56 1.403(2) . ?
C52 C53 1.389(3) . ?
C53 C54 1.389(3) . ?
C54 C55 1.382(3) . ?
C55 C56 1.393(3) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si2 C1 Si1 C5 -47.87(11) . . . . ?
Sn1 C1 Si1 C5 83.88(10) . . . . ?
Si2 C1 Si1 C6 73.28(10) . . . . ?
Sn1 C1 Si1 C6 -154.98(8) . . . . ?
Si2 C1 Si1 C12 -167.11(8) . . . . ?
Sn1 C1 Si1 C12 -35.37(11) . . . . ?
C5 Si1 C6 C7 -13.89(17) . . . . ?
C1 Si1 C6 C7 -135.95(14) . . . . ?
C12 Si1 C6 C7 100.80(15) . . . . ?
C5 Si1 C6 C11 162.16(14) . . . . ?
C1 Si1 C6 C11 40.10(16) . . . . ?
C12 Si1 C6 C11 -83.15(15) . . . . ?
C11 C6 C7 C8 -1.5(3) . . . . ?
Si1 C6 C7 C8 174.66(14) . . . . ?
C6 C7 C8 C9 0.5(3) . . . . ?
C7 C8 C9 C10 0.6(3) . . . . ?
C8 C9 C10 C11 -0.7(3) . . . . ?
C9 C10 C11 C6 -0.3(3) . . . . ?
C7 C6 C11 C10 1.4(3) . . . . ?
Si1 C6 C11 C10 -174.82(14) . . . . ?
C5 Si1 C12 C17 143.72(15) . . . . ?
C6 Si1 C12 C17 25.45(16) . . . . ?
C1 Si1 C12 C17 -93.16(15) . . . . ?
C5 Si1 C12 C13 -32.45(16) . . . . ?
C6 Si1 C12 C13 -150.73(14) . . . . ?
C1 Si1 C12 C13 90.67(15) . . . . ?
C17 C12 C13 C14 -0.4(3) . . . . ?
Si1 C12 C13 C14 175.97(14) . . . . ?
C12 C13 C14 C15 -0.9(3) . . . . ?
C13 C14 C15 C16 1.6(3) . . . . ?
C14 C15 C16 C17 -1.1(3) . . . . ?
C15 C16 C17 C12 -0.2(3) . . . . ?
C13 C12 C17 C16 0.9(3) . . . . ?
Si1 C12 C17 C16 -175.38(14) . . . . ?
Si1 C1 Si2 C18 90.15(10) . . . . ?
Sn1 C1 Si2 C18 -42.45(10) . . . . ?
Si1 C1 Si2 C25 -149.37(8) . . . . ?
Sn1 C1 Si2 C25 78.03(9) . . . . ?
Si1 C1 Si2 C19 -31.18(11) . . . . ?
Sn1 C1 Si2 C19 -163.78(7) . . . . ?
C24 C19 C20 C21 -0.1(3) . . . . ?
Si2 C19 C20 C21 173.78(14) . . . . ?
C19 C20 C21 C22 0.0(3) . . . . ?
C20 C21 C22 C23 0.4(3) . . . . ?
C21 C22 C23 C24 -0.7(3) . . . . ?
C22 C23 C24 C19 0.7(3) . . . . ?
C20 C19 C24 C23 -0.2(3) . . . . ?
Si2 C19 C24 C23 -174.14(14) . . . . ?
C18 Si2 C25 C26 175.29(14) . . . . ?
C1 Si2 C25 C26 52.52(16) . . . . ?
C19 Si2 C25 C26 -71.02(15) . . . . ?
C18 Si2 C25 C30 -8.03(16) . . . . ?
C1 Si2 C25 C30 -130.80(14) . . . . ?
C19 Si2 C25 C30 105.66(14) . . . . ?
C30 C25 C26 C27 -1.2(3) . . . . ?
Si2 C25 C26 C27 175.55(14) . . . . ?
C25 C26 C27 C28 2.4(3) . . . . ?
C26 C27 C28 C29 -1.1(3) . . . . ?
C27 C28 C29 C30 -1.1(3) . . . . ?
C28 C29 C30 C25 2.3(3) . . . . ?
C26 C25 C30 C29 -1.1(3) . . . . ?
Si2 C25 C30 C29 -177.91(13) . . . . ?
Si4 C2 Si3 C31 -79.91(11) . . . . ?
Sn1 C2 Si3 C31 49.68(10) . . . . ?
Si4 C2 Si3 C32 159.47(9) . . . . ?
Sn1 C2 Si3 C32 -70.94(9) . . . . ?
Si4 C2 Si3 C38 40.60(12) . . . . ?
Sn1 C2 Si3 C38 170.19(8) . . . . ?
C31 Si3 C32 C37 -3.17(17) . . . . ?
C2 Si3 C32 C37 117.74(15) . . . . ?
C38 Si3 C32 C37 -116.87(15) . . . . ?
C31 Si3 C32 C33 176.68(14) . . . . ?
C2 Si3 C32 C33 -62.42(15) . . . . ?
C38 Si3 C32 C33 62.98(15) . . . . ?
C37 C32 C33 C34 0.6(3) . . . . ?
Si3 C32 C33 C34 -179.30(14) . . . . ?
C32 C33 C34 C35 -1.4(3) . . . . ?
C33 C34 C35 C36 0.5(3) . . . . ?
C34 C35 C36 C37 1.2(3) . . . . ?
C35 C36 C37 C32 -2.1(3) . . . . ?
C33 C32 C37 C36 1.2(3) . . . . ?
Si3 C32 C37 C36 -178.97(14) . . . . ?
C31 Si3 C38 C43 52.28(17) . . . . ?
C32 Si3 C38 C43 169.27(15) . . . . ?
C2 Si3 C38 C43 -71.00(17) . . . . ?
C31 Si3 C38 C39 -121.04(16) . . . . ?
C32 Si3 C38 C39 -4.06(17) . . . . ?
C2 Si3 C38 C39 115.67(16) . . . . ?
C43 C38 C39 C40 0.4(3) . . . . ?
Si3 C38 C39 C40 174.09(16) . . . . ?
C38 C39 C40 C41 -0.2(3) . . . . ?
C39 C40 C41 C42 -0.1(3) . . . . ?
C40 C41 C42 C43 0.1(3) . . . . ?
C41 C42 C43 C38 0.2(3) . . . . ?
C39 C38 C43 C42 -0.5(3) . . . . ?
Si3 C38 C43 C42 -174.18(16) . . . . ?
Si3 C2 Si4 C44 51.39(12) . . . . ?
Sn1 C2 Si4 C44 -77.46(10) . . . . ?
Si3 C2 Si4 C51 -70.68(11) . . . . ?
Sn1 C2 Si4 C51 160.48(7) . . . . ?
Si3 C2 Si4 C45 171.00(8) . . . . ?
Sn1 C2 Si4 C45 42.16(11) . . . . ?
C50 C45 C46 C47 -0.7(3) . . . . ?
Si4 C45 C46 C47 -173.62(16) . . . . ?
C45 C46 C47 C48 0.6(3) . . . . ?
C46 C47 C48 C49 -0.2(3) . . . . ?
C47 C48 C49 C50 -0.1(3) . . . . ?
C48 C49 C50 C45 0.0(3) . . . . ?
C46 C45 C50 C49 0.3(3) . . . . ?
Si4 C45 C50 C49 173.41(14) . . . . ?
C44 Si4 C51 C52 -144.47(15) . . . . ?
C2 Si4 C51 C52 -20.85(17) . . . . ?
C45 Si4 C51 C52 103.79(15) . . . . ?
C44 Si4 C51 C56 36.10(17) . . . . ?
C2 Si4 C51 C56 159.72(14) . . . . ?
C45 Si4 C51 C56 -75.65(15) . . . . ?
C56 C51 C52 C53 -0.6(3) . . . . ?
Si4 C51 C52 C53 179.95(14) . . . . ?
C51 C52 C53 C54 -0.4(3) . . . . ?
C52 C53 C54 C55 0.7(3) . . . . ?
C53 C54 C55 C56 -0.1(3) . . . . ?
C54 C55 C56 C51 -1.0(3) . . . . ?
C52 C51 C56 C55 1.3(3) . . . . ?
Si4 C51 C56 C55 -179.27(14) . . . . ?
