#------------------------------------------------------------------------------
#$Date: 2024-07-05 17:58:24 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292891 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/13/1571336.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_1571336
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            'C69 H67 Cl2 Si4 Sn2'
_chemical_formula_weight         1316.86
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 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                90
_cell_angle_beta                 95.1930(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.64880(10)
_cell_length_b                   23.2014(2)
_cell_length_c                   18.05160(10)
_cell_measurement_reflns_used    57844
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      15.6220
_cell_measurement_theta_min      1.5660
_cell_volume                     6110.06(8)
_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    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  '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  'PILATUS3 X CdTe 1M'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.4139
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            121855
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        14.379
_diffrn_reflns_theta_max         15.591
_diffrn_reflns_theta_min         1.486
_diffrn_source                   'SPring-8 BL02B1 beamline'
_exptl_absorpt_coefficient_mu    1.126
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       plate
_exptl_crystal_F_000             2684
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     698
_refine_ls_number_reflns         14000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0324P)²+1.9375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0622
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12734
_reflns_number_total             14000
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc00093e3.cif
_cod_data_source_block           14_TA_CSnC_SnCl2_a
_cod_depositor_comments
'Adding full bibliography for 1571336--1571341.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1571336
_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   0.989
_shelx_estimated_absorpt_t_max   0.989
loop_
_space_group_symop_operation_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_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 0.53117(2) 0.43376(2) 0.82353(2) 0.01557(3) Uani 1 1 d . . . . .
C1 C 0.39363(11) 0.44223(7) 0.75074(8) 0.0163(3) Uani 1 1 d . . . . .
Sn2 Sn 0.44546(2) 0.37965(2) 0.67618(2) 0.01525(3) Uani 1 1 d . . . . .
C2 C 0.58452(11) 0.37976(6) 0.72971(8) 0.0164(3) Uani 1 1 d . . . . .
Cl1 Cl 0.41871(3) 0.39241(2) 0.54571(2) 0.02378(8) Uani 1 1 d . . . . .
Cl2 Cl 0.36764(3) 0.29025(2) 0.67844(2) 0.02315(8) Uani 1 1 d . . . . .
Si1 Si 0.37940(3) 0.51986(2) 0.71728(2) 0.01754(9) Uani 1 1 d . . . . .
Si2 Si 0.29662(3) 0.41277(2) 0.80151(2) 0.01645(8) Uani 1 1 d . . . . .
Si3 Si 0.66885(3) 0.41436(2) 0.66900(2) 0.01570(8) Uani 1 1 d . . . . .
Si4 Si 0.62396(3) 0.30738(2) 0.77157(2) 0.01664(8) Uani 1 1 d . . . . .
C3 C 0.36858(12) 0.52843(8) 0.61379(9) 0.0241(3) Uani 1 1 d . . . . .
H1 H 0.317462 0.504871 0.592037 0.036 Uiso 1 1 calc R U . . .
H2 H 0.425500 0.515900 0.594057 0.036 Uiso 1 1 calc R U . . .
H3 H 0.357105 0.569009 0.601063 0.036 Uiso 1 1 calc R U . . .
C4 C 0.48299(12) 0.56302(7) 0.75580(10) 0.0213(3) Uani 1 1 d . . . . .
C5 C 0.53465(12) 0.59503(7) 0.70871(10) 0.0241(3) Uani 1 1 d . . . . .
H4 H 0.518071 0.594164 0.656607 0.029 Uiso 1 1 calc R U . . .
C6 C 0.60993(13) 0.62823(8) 0.73620(12) 0.0295(4) Uani 1 1 d . . . . .
H5 H 0.644140 0.649226 0.702978 0.035 Uiso 1 1 calc R U . . .
C7 C 0.63433(13) 0.63034(8) 0.81198(12) 0.0324(4) Uani 1 1 d . . . . .
H6 H 0.685736 0.652555 0.830856 0.039 Uiso 1 1 calc R U . . .
C8 C 0.58386(13) 0.60007(8) 0.86042(11) 0.0305(4) Uani 1 1 d . . . . .
H7 H 0.600203 0.601985 0.912501 0.037 Uiso 1 1 calc R U . . .
C9 C 0.50908(13) 0.56679(7) 0.83276(10) 0.0248(4) Uani 1 1 d . . . . .
H8 H 0.475008 0.546239 0.866505 0.030 Uiso 1 1 calc R U . . .
C10 C 0.27606(12) 0.55877(7) 0.74824(9) 0.0214(3) Uani 1 1 d . . . . .
C11 C 0.28265(13) 0.59889(7) 0.80682(10) 0.0246(3) Uani 1 1 d . . . . .
H9 H 0.340295 0.604870 0.834303 0.030 Uiso 1 1 calc R U . . .
C12 C 0.20687(14) 0.63013(8) 0.82563(11) 0.0308(4) Uani 1 1 d . . . . .
H10 H 0.212990 0.656600 0.865925 0.037 Uiso 1 1 calc R U . . .
C13 C 0.12270(14) 0.62254(8) 0.78554(12) 0.0336(4) Uani 1 1 d . . . . .
H11 H 0.071087 0.644128 0.797877 0.040 Uiso 1 1 calc R U . . .
C14 C 0.11380(13) 0.58345(9) 0.72740(11) 0.0323(4) Uani 1 1 d . . . . .
H12 H 0.055879 0.577975 0.700144 0.039 Uiso 1 1 calc R U . . .
C15 C 0.18975(12) 0.55204(8) 0.70872(10) 0.0264(4) Uani 1 1 d . . . . .
H13 H 0.182830 0.525586 0.668438 0.032 Uiso 1 1 calc R U . . .
C16 C 0.33205(12) 0.34717(7) 0.85695(10) 0.0227(3) Uani 1 1 d . . . . .
H14 H 0.281254 0.334401 0.884731 0.034 Uiso 1 1 calc R U . . .
H15 H 0.385249 0.356345 0.891835 0.034 Uiso 1 1 calc R U . . .
H16 H 0.348209 0.316374 0.823357 0.034 Uiso 1 1 calc R U . . .
C17 C 0.26212(11) 0.46453(7) 0.87466(8) 0.0184(3) Uani 1 1 d . . . . .
C18 C 0.32604(12) 0.47992(8) 0.93396(9) 0.0243(3) Uani 1 1 d . . . . .
H17 H 0.387393 0.466590 0.934244 0.029 Uiso 1 1 calc R U . . .
C19 C 0.30194(14) 0.51418(9) 0.99236(10) 0.0312(4) Uani 1 1 d . . . . .
H18 H 0.346721 0.524580 1.031436 0.037 Uiso 1 1 calc R U . . .
C20 C 0.21195(14) 0.53314(9) 0.99327(10) 0.0315(4) Uani 1 1 d . . . . .
H19 H 0.194992 0.556534 1.032989 0.038 Uiso 1 1 calc R U . . .
C21 C 0.14725(13) 0.51777(8) 0.93605(10) 0.0260(4) Uani 1 1 d . . . . .
H20 H 0.085631 0.530355 0.936827 0.031 Uiso 1 1 calc R U . . .
C22 C 0.17186(11) 0.48407(7) 0.87756(9) 0.0203(3) Uani 1 1 d . . . . .
H21 H 0.126640 0.474011 0.838642 0.024 Uiso 1 1 calc R U . . .
C23 C 0.19439(11) 0.39309(7) 0.73609(9) 0.0185(3) Uani 1 1 d . . . . .
C24 C 0.11928(11) 0.36450(7) 0.76281(9) 0.0213(3) Uani 1 1 d . . . . .
H22 H 0.119634 0.356777 0.814515 0.026 Uiso 1 1 calc R U . . .
C25 C 0.04464(12) 0.34736(7) 0.71497(11) 0.0246(3) Uani 1 1 d . . . . .
H23 H -0.005272 0.327943 0.734105 0.029 Uiso 1 1 calc R U . . .
C26 C 0.04272(12) 0.35848(8) 0.63940(10) 0.0260(4) Uani 1 1 d . . . . .
H24 H -0.008749 0.347129 0.606871 0.031 Uiso 1 1 calc R U . . .
C27 C 0.11610(13) 0.38622(8) 0.61139(10) 0.0268(4) Uani 1 1 d . . . . .
H25 H 0.115279 0.393661 0.559580 0.032 Uiso 1 1 calc R U . . .
C28 C 0.19070(12) 0.40303(8) 0.65934(9) 0.0223(3) Uani 1 1 d . . . . .
H26 H 0.240731 0.421841 0.639552 0.027 Uiso 1 1 calc R U . . .
C29 C 0.61767(12) 0.47419(7) 0.60918(9) 0.0220(3) Uani 1 1 d . . . . .
H27 H 0.664720 0.490706 0.580214 0.033 Uiso 1 1 calc R U . . .
H28 H 0.594214 0.504127 0.640726 0.033 Uiso 1 1 calc R U . . .
H29 H 0.567314 0.459030 0.575291 0.033 Uiso 1 1 calc R U . . .
C30 C 0.71505(11) 0.35905(7) 0.60565(9) 0.0182(3) Uani 1 1 d . . . . .
C31 C 0.67166(12) 0.35224(8) 0.53361(9) 0.0233(3) Uani 1 1 d . . . . .
H30 H 0.621450 0.376498 0.517637 0.028 Uiso 1 1 calc R U . . .
C32 C 0.70039(13) 0.31083(9) 0.48503(10) 0.0304(4) Uani 1 1 d . . . . .
H31 H 0.670157 0.307315 0.436416 0.036 Uiso 1 1 calc R U . . .
C33 C 0.77299(13) 0.27474(8) 0.50744(11) 0.0299(4) Uani 1 1 d . . . . .
H32 H 0.792542 0.246404 0.474329 0.036 Uiso 1 1 calc R U . . .
C34 C 0.81712(12) 0.28012(8) 0.57851(10) 0.0250(3) Uani 1 1 d . . . . .
H33 H 0.866807 0.255357 0.594158 0.030 Uiso 1 1 calc R U . . .
C35 C 0.78834(11) 0.32202(7) 0.62701(9) 0.0213(3) Uani 1 1 d . . . . .
H34 H 0.819101 0.325445 0.675447 0.026 Uiso 1 1 calc R U . . .
C36 C 0.76474(11) 0.45170(7) 0.72714(8) 0.0176(3) Uani 1 1 d . . . . .
C37 C 0.85698(12) 0.44488(7) 0.71394(10) 0.0221(3) Uani 1 1 d . . . . .
H35 H 0.872465 0.418884 0.676397 0.027 Uiso 1 1 calc R U . . .
C38 C 0.92637(12) 0.47537(8) 0.75463(11) 0.0278(4) Uani 1 1 d . . . . .
H36 H 0.988300 0.470234 0.744313 0.033 Uiso 1 1 calc R U . . .
C39 C 0.90559(13) 0.51311(8) 0.81001(10) 0.0275(4) Uani 1 1 d . . . . .
H37 H 0.953228 0.532995 0.838688 0.033 Uiso 1 1 calc R U . . .
C40 C 0.81470(13) 0.52180(7) 0.82348(9) 0.0243(3) Uani 1 1 d . . . . .
H38 H 0.799853 0.547995 0.861015 0.029 Uiso 1 1 calc R U . . .
C41 C 0.74555(12) 0.49194(7) 0.78174(9) 0.0212(3) Uani 1 1 d . . . . .
H39 H 0.683524 0.498981 0.790426 0.025 Uiso 1 1 calc R U . . .
C42 C 0.60351(12) 0.24643(7) 0.70431(9) 0.0227(3) Uani 1 1 d . . . . .
H40 H 0.641809 0.251536 0.663008 0.034 Uiso 1 1 calc R U . . .
H41 H 0.538790 0.245885 0.685022 0.034 Uiso 1 1 calc R U . . .
H42 H 0.619206 0.209925 0.729652 0.034 Uiso 1 1 calc R U . . .
C43 C 0.56272(11) 0.29136(7) 0.85763(9) 0.0202(3) Uani 1 1 d . . . . .
C44 C 0.58561(12) 0.32004(7) 0.92554(9) 0.0230(3) Uani 1 1 d . . . . .
H43 H 0.630215 0.349858 0.927627 0.028 Uiso 1 1 calc R U . . .
C45 C 0.54429(13) 0.30572(9) 0.99007(10) 0.0284(4) Uani 1 1 d . . . . .
H44 H 0.559376 0.326490 1.034865 0.034 Uiso 1 1 calc R U . . .
C46 C 0.48123(13) 0.26105(9) 0.98821(10) 0.0313(4) Uani 1 1 d . . . . .
H45 H 0.453263 0.251017 1.031896 0.038 Uiso 1 1 calc R U . . .
C47 C 0.45901(13) 0.23112(8) 0.92289(11) 0.0291(4) Uani 1 1 d . . . . .
H46 H 0.416554 0.200118 0.921993 0.035 Uiso 1 1 calc R U . . .
C48 C 0.49891(12) 0.24633(8) 0.85791(10) 0.0244(3) Uani 1 1 d . . . . .
H47 H 0.482398 0.225737 0.813219 0.029 Uiso 1 1 calc R U . . .
C49 C 0.74854(11) 0.30611(7) 0.80976(8) 0.0186(3) Uani 1 1 d . . . . .
C50 C 0.79968(12) 0.25519(8) 0.80413(9) 0.0228(3) Uani 1 1 d . . . . .
H48 H 0.772650 0.223537 0.776903 0.027 Uiso 1 1 calc R U . . .
C51 C 0.88857(12) 0.25000(8) 0.83730(10) 0.0259(4) Uani 1 1 d . . . . .
H49 H 0.921467 0.215091 0.832650 0.031 Uiso 1 1 calc R U . . .
C52 C 0.92942(12) 0.29571(8) 0.87722(10) 0.0254(4) Uani 1 1 d . . . . .
H50 H 0.990242 0.292265 0.899969 0.030 Uiso 1 1 calc R U . . .
C53 C 0.88083(12) 0.34647(8) 0.88368(10) 0.0241(3) Uani 1 1 d . . . . .
H51 H 0.908624 0.378002 0.910670 0.029 Uiso 1 1 calc R U . . .
C54 C 0.79128(12) 0.35145(7) 0.85070(9) 0.0204(3) Uani 1 1 d . . . . .
H52 H 0.758614 0.386337 0.856145 0.024 Uiso 1 1 calc R U . . .
C55 C 0.78295(15) 0.62195(8) 0.58825(11) 0.0320(4) Uani 1 1 d . . . . .
H53 H 0.755780 0.593647 0.555208 0.038 Uiso 1 1 calc R U . . .
C56 C 0.81524(14) 0.60665(8) 0.65999(11) 0.0303(4) Uani 1 1 d . . . . .
H54 H 0.810539 0.567805 0.675858 0.036 Uiso 1 1 calc R U . . .
C57 C 0.85433(14) 0.64763(8) 0.70868(11) 0.0305(4) Uani 1 1 d . . . . .
H55 H 0.876153 0.637040 0.757957 0.037 Uiso 1 1 calc R U . . .
C58 C 0.86153(15) 0.70432(9) 0.68524(12) 0.0371(5) Uani 1 1 d . . . . .
H56 H 0.887845 0.732676 0.718617 0.045 Uiso 1 1 calc R U . . .
C59 C 0.83029(15) 0.71948(9) 0.61314(13) 0.0378(5) Uani 1 1 d . . . . .
H57 H 0.836353 0.758114 0.596865 0.045 Uiso 1 1 calc R U . . .
C60 C 0.79011(14) 0.67838(9) 0.56448(11) 0.0321(4) Uani 1 1 d . . . . .
H58 H 0.767746 0.688937 0.515312 0.039 Uiso 1 1 calc R U . . .
C61 C 0.83038(14) 0.63530(9) 0.98536(10) 0.0301(4) Uani 1 1 d . . . . .
H59 H 0.793405 0.611409 1.013210 0.036 Uiso 1 1 calc R U . . .
C62 C 0.92007(14) 0.61995(8) 0.97734(11) 0.0294(4) Uani 1 1 d . . . . .
H60 H 0.944831 0.585653 0.999806 0.035 Uiso 1 1 calc R U . . .
C63 C 0.97390(14) 0.65474(8) 0.93640(11) 0.0307(4) Uani 1 1 d . . . . .
H61 H 1.035782 0.644516 0.931147 0.037 Uiso 1 1 calc R U . . .
C64 C 0.93713(13) 0.70452(8) 0.90313(11) 0.0306(4) Uani 1 1 d . . . . .
H62 H 0.973701 0.728023 0.874450 0.037 Uiso 1 1 calc R U . . .
C65 C 0.84742(14) 0.72010(8) 0.91152(11) 0.0306(4) Uani 1 1 d . . . . .
H63 H 0.822486 0.754346 0.889045 0.037 Uiso 1 1 calc R U . . .
C66 C 0.79421(13) 0.68533(9) 0.95300(11) 0.0318(4) Uani 1 1 d . . . . .
H64 H 0.732719 0.695923 0.959193 0.038 Uiso 1 1 calc R U . . .
C67 C 0.0779(4) 0.5033(4) 0.4660(2) 0.152(4) Uani 1 1 d . . . . .
H65 H 0.133663 0.505370 0.443103 0.183 Uiso 1 1 calc R U . . .
C68 C 0.0199(4) 0.4609(4) 0.4470(2) 0.171(4) Uani 1 1 d . . . . .
H66 H 0.033164 0.434258 0.409421 0.206 Uiso 1 1 calc R U . . .
C69 C -0.0604(4) 0.4555(3) 0.4821(3) 0.149(3) Uani 1 1 d . . . . .
H67 H -0.101644 0.424470 0.470674 0.178 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 -0.0020 0.0005 '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'
Sn Sn -2.8834 3.4189 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.0454 0.0532 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0225 0.0230 '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
C2 Sn1 C1 87.97(5) . . ?
C2 Sn1 Sn2 44.45(4) . . ?
C1 Sn1 Sn2 44.18(4) . . ?
Si2 C1 Si1 115.51(8) . . ?
Si2 C1 Sn2 112.40(7) . . ?
Si1 C1 Sn2 118.14(7) . . ?
Si2 C1 Sn1 110.43(7) . . ?
Si1 C1 Sn1 108.98(7) . . ?
Sn2 C1 Sn1 87.69(5) . . ?
C1 Sn2 C2 95.17(6) . . ?
C1 Sn2 Cl2 112.35(4) . . ?
C2 Sn2 Cl2 115.23(4) . . ?
C1 Sn2 Cl1 119.90(4) . . ?
C2 Sn2 Cl1 120.35(4) . . ?
Cl2 Sn2 Cl1 95.161(15) . . ?
C1 Sn2 Sn1 48.13(4) . . ?
C2 Sn2 Sn1 47.80(4) . . ?
Cl2 Sn2 Sn1 119.842(11) . . ?
Cl1 Sn2 Sn1 144.977(12) . . ?
Si3 C2 Si4 114.22(8) . . ?
Si3 C2 Sn2 112.07(7) . . ?
Si4 C2 Sn2 114.37(7) . . ?
Si3 C2 Sn1 118.44(7) . . ?
Si4 C2 Sn1 107.37(7) . . ?
Sn2 C2 Sn1 87.75(6) . . ?
C3 Si1 C10 104.28(8) . . ?
C3 Si1 C4 107.61(8) . . ?
C10 Si1 C4 105.97(8) . . ?
C3 Si1 C1 114.45(7) . . ?
C10 Si1 C1 115.18(7) . . ?
C4 Si1 C1 108.78(7) . . ?
C16 Si2 C23 107.80(8) . . ?
C16 Si2 C1 111.72(7) . . ?
C23 Si2 C1 112.05(7) . . ?
C16 Si2 C17 102.85(7) . . ?
C23 Si2 C17 110.24(7) . . ?
C1 Si2 C17 111.74(7) . . ?
C29 Si3 C30 107.56(7) . . ?
C29 Si3 C36 102.68(7) . . ?
C30 Si3 C36 111.10(7) . . ?
C29 Si3 C2 113.46(7) . . ?
C30 Si3 C2 110.48(7) . . ?
C36 Si3 C2 111.29(7) . . ?
C42 Si4 C49 108.50(7) . . ?
C42 Si4 C43 108.86(8) . . ?
C49 Si4 C43 102.14(7) . . ?
C42 Si4 C2 112.53(7) . . ?
C49 Si4 C2 113.91(7) . . ?
C43 Si4 C2 110.32(7) . . ?
C5 C4 C9 116.86(16) . . ?
C5 C4 Si1 121.03(13) . . ?
C9 C4 Si1 122.03(13) . . ?
C6 C5 C4 121.89(17) . . ?
C7 C6 C5 119.69(18) . . ?
C6 C7 C8 120.08(18) . . ?
C7 C8 C9 120.07(18) . . ?
C8 C9 C4 121.40(18) . . ?
C15 C10 C11 116.98(16) . . ?
C15 C10 Si1 120.37(13) . . ?
C11 C10 Si1 122.44(13) . . ?
C12 C11 C10 121.72(18) . . ?
C13 C12 C11 119.90(19) . . ?
C14 C13 C12 119.89(18) . . ?
C13 C14 C15 120.16(19) . . ?
C14 C15 C10 121.34(18) . . ?
C18 C17 C22 117.09(15) . . ?
C18 C17 Si2 119.55(13) . . ?
C22 C17 Si2 122.99(12) . . ?
C19 C18 C17 121.73(17) . . ?
C18 C19 C20 119.70(17) . . ?
C21 C20 C19 119.69(17) . . ?
C20 C21 C22 120.38(17) . . ?
C21 C22 C17 121.40(16) . . ?
C28 C23 C24 117.09(15) . . ?
C28 C23 Si2 122.63(12) . . ?
C24 C23 Si2 120.20(12) . . ?
C25 C24 C23 121.20(16) . . ?
C26 C25 C24 120.22(16) . . ?
C25 C26 C27 119.86(16) . . ?
C26 C27 C28 119.71(17) . . ?
C27 C28 C23 121.91(16) . . ?
C35 C30 C31 117.21(15) . . ?
C35 C30 Si3 123.95(12) . . ?
C31 C30 Si3 118.78(13) . . ?
C32 C31 C30 121.62(17) . . ?
C33 C32 C31 120.09(17) . . ?
C32 C33 C34 119.76(16) . . ?
C33 C34 C35 119.95(16) . . ?
C34 C35 C30 121.37(16) . . ?
C37 C36 C41 116.84(15) . . ?
C37 C36 Si3 122.29(12) . . ?
C41 C36 Si3 120.63(12) . . ?
C38 C37 C36 121.46(16) . . ?
C39 C38 C37 120.33(17) . . ?
C38 C39 C40 119.68(16) . . ?
C39 C40 C41 119.68(16) . . ?
C40 C41 C36 121.93(16) . . ?
C48 C43 C44 117.07(15) . . ?
C48 C43 Si4 120.86(13) . . ?
C44 C43 Si4 121.78(13) . . ?
C45 C44 C43 121.68(17) . . ?
C46 C45 C44 119.62(18) . . ?
C47 C46 C45 120.09(17) . . ?
C46 C47 C48 120.23(18) . . ?
C47 C48 C43 121.28(17) . . ?
C54 C49 C50 116.94(15) . . ?
C54 C49 Si4 123.44(12) . . ?
C50 C49 Si4 119.28(12) . . ?
C51 C50 C49 121.76(16) . . ?
C52 C51 C50 120.09(16) . . ?
C53 C52 C51 119.50(16) . . ?
C52 C53 C54 120.29(16) . . ?
C53 C54 C49 121.41(16) . . ?
C56 C55 C60 120.23(18) . . ?
C57 C56 C55 120.32(18) . . ?
C56 C57 C58 119.74(19) . . ?
C59 C58 C57 119.93(19) . . ?
C58 C59 C60 120.28(19) . . ?
C55 C60 C59 119.49(18) . . ?
C62 C61 C66 120.24(18) . . ?
C61 C62 C63 119.84(18) . . ?
C62 C63 C64 119.84(18) . . ?
C65 C64 C63 120.33(18) . . ?
C64 C65 C66 119.51(18) . . ?
C61 C66 C65 120.23(18) . . ?
C68 C67 C69 122.5(6) . 3_566 ?
C67 C68 C69 119.8(7) . . ?
C67 C69 C68 117.6(7) 3_566 . ?
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 C2 2.2996(15) . ?
Sn1 C1 2.3119(15) . ?
Sn1 Sn2 3.10202(15) . ?
C1 Si2 1.8874(16) . ?
C1 Si1 1.9051(16) . ?
C1 Sn2 2.1636(15) . ?
Sn2 C2 2.1741(16) . ?
Sn2 Cl2 2.3690(4) . ?
Sn2 Cl1 2.3708(4) . ?
C2 Si3 1.9017(16) . ?
C2 Si4 1.9095(16) . ?
Si1 C3 1.8713(17) . ?
Si1 C10 1.8900(17) . ?
Si1 C4 1.8969(18) . ?
Si2 C16 1.8691(17) . ?
Si2 C23 1.8777(17) . ?
Si2 C17 1.8873(16) . ?
Si3 C29 1.8730(17) . ?
Si3 C30 1.8849(16) . ?
Si3 C36 1.8864(16) . ?
Si4 C42 1.8702(17) . ?
Si4 C49 1.8917(17) . ?
Si4 C43 1.8997(17) . ?
C4 C5 1.401(2) . ?
C4 C9 1.410(2) . ?
C5 C6 1.399(3) . ?
C6 C7 1.383(3) . ?
C7 C8 1.386(3) . ?
C8 C9 1.395(3) . ?
C10 C15 1.403(2) . ?
C10 C11 1.406(2) . ?
C11 C12 1.393(2) . ?
C12 C13 1.383(3) . ?
C13 C14 1.384(3) . ?
C14 C15 1.397(3) . ?
C17 C18 1.403(2) . ?
C17 C22 1.403(2) . ?
C18 C19 1.391(2) . ?
C19 C20 1.391(3) . ?
C20 C21 1.384(3) . ?
C21 C22 1.387(2) . ?
C23 C28 1.401(2) . ?
C23 C24 1.407(2) . ?
C24 C25 1.389(2) . ?
C25 C26 1.386(3) . ?
C26 C27 1.387(3) . ?
C27 C28 1.387(2) . ?
C30 C35 1.402(2) . ?
C30 C31 1.404(2) . ?
C31 C32 1.391(2) . ?
C32 C33 1.385(3) . ?
C33 C34 1.389(3) . ?
C34 C35 1.399(2) . ?
C36 C37 1.402(2) . ?
C36 C41 1.404(2) . ?
C37 C38 1.392(2) . ?
C38 C39 1.383(3) . ?
C39 C40 1.390(3) . ?
C40 C41 1.391(2) . ?
C43 C48 1.402(2) . ?
C43 C44 1.408(2) . ?
C44 C45 1.400(2) . ?
C45 C46 1.387(3) . ?
C46 C47 1.382(3) . ?
C47 C48 1.402(2) . ?
C49 C54 1.400(2) . ?
C49 C50 1.407(2) . ?
C50 C51 1.388(2) . ?
C51 C52 1.387(3) . ?
C52 C53 1.386(3) . ?
C53 C54 1.395(2) . ?
C55 C56 1.384(3) . ?
C55 C60 1.385(3) . ?
C56 C57 1.383(3) . ?
C57 C58 1.388(3) . ?
C58 C59 1.385(3) . ?
C59 C60 1.390(3) . ?
C61 C62 1.381(3) . ?
C61 C66 1.383(3) . ?
C62 C63 1.388(3) . ?
C63 C64 1.388(3) . ?
C64 C65 1.384(3) . ?
C65 C66 1.387(3) . ?
C67 C68 1.324(12) . ?
C67 C69 1.380(8) 3_566 ?
C68 C69 1.391(8) . ?
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
Si1 C1 Si2 C16 -161.99(8) . . . . ?
Sn2 C1 Si2 C16 58.37(10) . . . . ?
Sn1 C1 Si2 C16 -37.77(10) . . . . ?
Si1 C1 Si2 C23 76.92(10) . . . . ?
Sn2 C1 Si2 C23 -62.72(9) . . . . ?
Sn1 C1 Si2 C23 -158.86(7) . . . . ?
Si1 C1 Si2 C17 -47.37(10) . . . . ?
Sn2 C1 Si2 C17 172.99(7) . . . . ?
Sn1 C1 Si2 C17 76.85(9) . . . . ?
C3 Si1 C4 C5 1.57(16) . . . . ?
C10 Si1 C4 C5 -109.53(14) . . . . ?
C1 Si1 C4 C5 126.09(13) . . . . ?
C3 Si1 C4 C9 178.44(14) . . . . ?
C10 Si1 C4 C9 67.34(15) . . . . ?
C1 Si1 C4 C9 -57.04(15) . . . . ?
C9 C4 C5 C6 1.4(2) . . . . ?
Si1 C4 C5 C6 178.44(13) . . . . ?
C4 C5 C6 C7 -0.6(3) . . . . ?
C5 C6 C7 C8 -0.6(3) . . . . ?
C6 C7 C8 C9 0.9(3) . . . . ?
C7 C8 C9 C4 0.0(3) . . . . ?
C5 C4 C9 C8 -1.1(2) . . . . ?
Si1 C4 C9 C8 -178.10(14) . . . . ?
C3 Si1 C10 C15 42.99(16) . . . . ?
C4 Si1 C10 C15 156.41(14) . . . . ?
C1 Si1 C10 C15 -83.28(15) . . . . ?
C3 Si1 C10 C11 -131.53(14) . . . . ?
C4 Si1 C10 C11 -18.10(16) . . . . ?
C1 Si1 C10 C11 102.20(15) . . . . ?
C15 C10 C11 C12 0.8(3) . . . . ?
Si1 C10 C11 C12 175.51(14) . . . . ?
C10 C11 C12 C13 -0.9(3) . . . . ?
C11 C12 C13 C14 0.7(3) . . . . ?
C12 C13 C14 C15 -0.6(3) . . . . ?
C13 C14 C15 C10 0.5(3) . . . . ?
C11 C10 C15 C14 -0.6(3) . . . . ?
Si1 C10 C15 C14 -175.44(14) . . . . ?
C16 Si2 C17 C18 58.36(15) . . . . ?
C23 Si2 C17 C18 173.09(13) . . . . ?
C1 Si2 C17 C18 -61.61(15) . . . . ?
C16 Si2 C17 C22 -114.48(14) . . . . ?
C23 Si2 C17 C22 0.25(16) . . . . ?
C1 Si2 C17 C22 125.54(14) . . . . ?
C22 C17 C18 C19 -1.5(3) . . . . ?
Si2 C17 C18 C19 -174.76(15) . . . . ?
C17 C18 C19 C20 1.1(3) . . . . ?
C18 C19 C20 C21 0.0(3) . . . . ?
C19 C20 C21 C22 -0.6(3) . . . . ?
C20 C21 C22 C17 0.2(3) . . . . ?
C18 C17 C22 C21 0.8(2) . . . . ?
Si2 C17 C22 C21 173.84(13) . . . . ?
C16 Si2 C23 C28 -127.03(14) . . . . ?
C1 Si2 C23 C28 -3.70(16) . . . . ?
C17 Si2 C23 C28 121.42(14) . . . . ?
C16 Si2 C23 C24 49.59(15) . . . . ?
C1 Si2 C23 C24 172.91(13) . . . . ?
C17 Si2 C23 C24 -61.97(15) . . . . ?
C28 C23 C24 C25 -0.5(2) . . . . ?
Si2 C23 C24 C25 -177.25(13) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C24 C25 C26 C27 0.8(3) . . . . ?
C25 C26 C27 C28 -0.5(3) . . . . ?
C26 C27 C28 C23 -0.3(3) . . . . ?
C24 C23 C28 C27 0.7(3) . . . . ?
Si2 C23 C28 C27 177.46(14) . . . . ?
C29 Si3 C30 C35 152.44(14) . . . . ?
C36 Si3 C30 C35 40.79(16) . . . . ?
C2 Si3 C30 C35 -83.24(15) . . . . ?
C29 Si3 C30 C31 -30.52(15) . . . . ?
C36 Si3 C30 C31 -142.16(13) . . . . ?
C2 Si3 C30 C31 93.81(14) . . . . ?
C35 C30 C31 C32 -0.5(3) . . . . ?
Si3 C30 C31 C32 -177.74(14) . . . . ?
C30 C31 C32 C33 0.5(3) . . . . ?
C31 C32 C33 C34 -0.1(3) . . . . ?
C32 C33 C34 C35 -0.2(3) . . . . ?
C33 C34 C35 C30 0.2(3) . . . . ?
C31 C30 C35 C34 0.1(2) . . . . ?
Si3 C30 C35 C34 177.22(13) . . . . ?
C29 Si3 C36 C37 -104.75(14) . . . . ?
C30 Si3 C36 C37 9.97(16) . . . . ?
C2 Si3 C36 C37 133.54(13) . . . . ?
C29 Si3 C36 C41 69.44(14) . . . . ?
C30 Si3 C36 C41 -175.84(13) . . . . ?
C2 Si3 C36 C41 -52.27(15) . . . . ?
C41 C36 C37 C38 1.8(2) . . . . ?
Si3 C36 C37 C38 176.22(14) . . . . ?
C36 C37 C38 C39 0.6(3) . . . . ?
C37 C38 C39 C40 -1.9(3) . . . . ?
C38 C39 C40 C41 0.8(3) . . . . ?
C39 C40 C41 C36 1.7(3) . . . . ?
C37 C36 C41 C40 -3.0(2) . . . . ?
Si3 C36 C41 C40 -177.47(13) . . . . ?
C42 Si4 C43 C48 -12.00(16) . . . . ?
C49 Si4 C43 C48 -126.62(14) . . . . ?
C2 Si4 C43 C48 111.93(14) . . . . ?
C42 Si4 C43 C44 161.65(13) . . . . ?
C49 Si4 C43 C44 47.04(15) . . . . ?
C2 Si4 C43 C44 -74.41(15) . . . . ?
C48 C43 C44 C45 -2.2(2) . . . . ?
Si4 C43 C44 C45 -176.05(13) . . . . ?
C43 C44 C45 C46 2.0(3) . . . . ?
C44 C45 C46 C47 -0.4(3) . . . . ?
C45 C46 C47 C48 -1.1(3) . . . . ?
C46 C47 C48 C43 0.9(3) . . . . ?
C44 C43 C48 C47 0.7(2) . . . . ?
Si4 C43 C48 C47 174.67(13) . . . . ?
C42 Si4 C49 C54 167.79(13) . . . . ?
C43 Si4 C49 C54 -77.33(15) . . . . ?
C2 Si4 C49 C54 41.62(16) . . . . ?
C42 Si4 C49 C50 -19.10(15) . . . . ?
C43 Si4 C49 C50 95.78(14) . . . . ?
C2 Si4 C49 C50 -145.28(12) . . . . ?
C54 C49 C50 C51 -0.2(2) . . . . ?
Si4 C49 C50 C51 -173.79(13) . . . . ?
C49 C50 C51 C52 -0.1(3) . . . . ?
C50 C51 C52 C53 0.0(3) . . . . ?
C51 C52 C53 C54 0.4(3) . . . . ?
C52 C53 C54 C49 -0.8(3) . . . . ?
C50 C49 C54 C53 0.7(2) . . . . ?
Si4 C49 C54 C53 173.92(13) . . . . ?
C60 C55 C56 C57 0.5(3) . . . . ?
C55 C56 C57 C58 -0.3(3) . . . . ?
C56 C57 C58 C59 -0.5(3) . . . . ?
C57 C58 C59 C60 1.2(3) . . . . ?
C56 C55 C60 C59 0.2(3) . . . . ?
C58 C59 C60 C55 -1.1(3) . . . . ?
C66 C61 C62 C63 -0.3(3) . . . . ?
C61 C62 C63 C64 -0.6(3) . . . . ?
C62 C63 C64 C65 1.0(3) . . . . ?
C63 C64 C65 C66 -0.5(3) . . . . ?
C62 C61 C66 C65 0.8(3) . . . . ?
C64 C65 C66 C61 -0.4(3) . . . . ?
C69 C67 C68 C69 -2.7(9) 3_566 . . . ?
C67 C68 C69 C67 2.6(8) . . . 3_566 ?
