#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/58/1515804.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_1515804
loop_
_publ_author_name
'Peng, Yang'
'Fischer, Roland C.'
'Merrill, W. Alexander'
'Fischer, Jelena'
'Pu, Lihung'
'Ellis, Bobby D.'
'Fettinger, James C.'
'Herber, Rolfe H.'
'Power, Philip P.'
_publ_section_title
;
 Substituent effects in ditetrel alkyne analogues: multiple vs. single
 bonded isomers
;
_journal_issue                   4
_journal_name_full               'Chemical Science'
_journal_page_first              461
_journal_paper_doi               10.1039/c0sc00240b
_journal_volume                  1
_journal_year                    2010
_chemical_formula_moiety         'C66 H90 Cl2 Si2 Sn2, 2(C7 H8)'
_chemical_formula_sum            'C80 H106 Cl2 Si2 Sn2'
_chemical_formula_weight         1432.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                112.0530(10)
_cell_angle_beta                 103.2470(10)
_cell_angle_gamma                103.1560(10)
_cell_formula_units_Z            1
_cell_length_a                   11.3422(6)
_cell_length_b                   12.9163(6)
_cell_length_c                   15.1478(11)
_cell_measurement_reflns_used    6975
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.87
_cell_volume                     1877.18(19)
_computing_cell_refinement       'SAINT (7.23A) (Bruker, 2005)'
_computing_data_collection       'Apex2 (2.1.2.21) (Bruker, 2005)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       'ω and φ'
_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  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16959
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_T_max  0.8511
_exptl_absorpt_correction_T_min  0.6813
_exptl_absorpt_correction_type   'Empirical, SADABS (multi-scan)'
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            Light_Yellow/Orange
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.436
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8632
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0495P)²+1.3239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0813
_reflns_number_gt                8096
_reflns_number_total             8632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0sc00240b.txt
_cod_data_source_block           1390ffmi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1877.17(19)
_cod_database_code               1515804
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 0.934976(12) 0.854786(10) 0.509773(9) 0.01895(5) Uani 1 1 d . . .
Cl1 Cl 0.84860(4) 0.96046(4) 0.40539(3) 0.02296(10) Uani 1 1 d . . .
Si1 Si 0.57354(5) 0.95180(4) 0.82650(4) 0.01801(10) Uani 1 1 d . . .
C1 C 0.83304(16) 0.91657(15) 0.61961(13) 0.0154(3) Uani 1 1 d . . .
C2 C 0.82670(16) 1.02815(15) 0.67946(13) 0.0151(3) Uani 1 1 d . . .
C3 C 0.74872(16) 1.03439(15) 0.73927(13) 0.0161(3) Uani 1 1 d . . .
H3 H 0.7484 1.1105 0.7811 0.019 Uiso 1 1 calc R . .
C4 C 0.67117(16) 0.93426(16) 0.74070(13) 0.0161(3) Uani 1 1 d . . .
C5 C 0.67710(17) 0.82425(16) 0.68060(13) 0.0165(3) Uani 1 1 d . . .
H5 H 0.6251 0.7539 0.6787 0.020 Uiso 1 1 calc R . .
C6 C 0.75792(16) 0.81580(15) 0.62337(13) 0.0150(3) Uani 1 1 d . . .
C7 C 0.90192(17) 1.14646(15) 0.68852(13) 0.0156(3) Uani 1 1 d . . .
C8 C 1.02869(17) 1.21040(16) 0.75983(14) 0.0179(3) Uani 1 1 d . . .
C9 C 1.09087(18) 1.32535(17) 0.77471(15) 0.0222(4) Uani 1 1 d . . .
H9 H 1.1766 1.3689 0.8218 0.027 Uiso 1 1 calc R . .
C10 C 1.02980(19) 1.37683(17) 0.72200(16) 0.0238(4) Uani 1 1 d . . .
H10 H 1.0736 1.4551 0.7332 0.029 Uiso 1 1 calc R . .
C11 C 0.90492(19) 1.31433(16) 0.65295(15) 0.0212(4) Uani 1 1 d . . .
H11 H 0.8635 1.3505 0.6174 0.025 Uiso 1 1 calc R . .
C12 C 0.83897(17) 1.19854(15) 0.63481(13) 0.0167(3) Uani 1 1 d . . .
C13 C 1.09420(18) 1.15930(17) 0.82492(14) 0.0208(4) Uani 1 1 d . . .
H13 H 1.0638 1.0709 0.7833 0.025 Uiso 1 1 calc R . .
C14 C 1.24195(19) 1.2065(2) 0.85988(16) 0.0282(4) Uani 1 1 d . . .
H14A H 1.2749 1.2913 0.9081 0.042 Uiso 1 1 calc R . .
H14B H 1.2687 1.1963 0.8009 0.042 Uiso 1 1 calc R . .
H14C H 1.2768 1.1623 0.8929 0.042 Uiso 1 1 calc R . .
C15 C 1.0549(2) 1.1844(2) 0.91953(16) 0.0294(4) Uani 1 1 d . . .
H15A H 1.0968 1.1497 0.9594 0.044 Uiso 1 1 calc R . .
H15B H 0.9609 1.1488 0.8984 0.044 Uiso 1 1 calc R . .
H15C H 1.0821 1.2707 0.9610 0.044 Uiso 1 1 calc R . .
C16 C 0.69979(18) 1.13383(16) 0.56066(14) 0.0200(3) Uani 1 1 d . . .
H16 H 0.6822 1.0463 0.5342 0.024 Uiso 1 1 calc R . .
C17 C 0.6746(2) 1.1611(2) 0.46934(16) 0.0278(4) Uani 1 1 d . . .
H17A H 0.6798 1.2443 0.4922 0.042 Uiso 1 1 calc R . .
H17B H 0.5884 1.1085 0.4197 0.042 Uiso 1 1 calc R . .
H17C H 0.7397 1.1480 0.4377 0.042 Uiso 1 1 calc R . .
C18 C 0.60348(19) 1.16382(19) 0.61364(16) 0.0256(4) Uani 1 1 d . . .
H18A H 0.6097 1.1359 0.6658 0.038 Uiso 1 1 calc R . .
H18B H 0.5156 1.1245 0.5635 0.038 Uiso 1 1 calc R . .
H18C H 0.6235 1.2502 0.6455 0.038 Uiso 1 1 calc R . .
C19 C 0.77315(17) 0.69743(15) 0.57088(13) 0.0157(3) Uani 1 1 d . . .
C20 C 0.69231(17) 0.61515(15) 0.47050(14) 0.0178(3) Uani 1 1 d . . .
C21 C 0.71501(19) 0.50911(16) 0.42403(15) 0.0217(4) Uani 1 1 d . . .
H21 H 0.6618 0.4532 0.3561 0.026 Uiso 1 1 calc R . .
C22 C 0.81412(19) 0.48443(17) 0.47574(16) 0.0235(4) Uani 1 1 d . . .
H22 H 0.8286 0.4122 0.4431 0.028 Uiso 1 1 calc R . .
C23 C 0.89183(19) 0.56497(17) 0.57473(16) 0.0223(4) Uani 1 1 d . . .
H23 H 0.9589 0.5470 0.6098 0.027 Uiso 1 1 calc R . .
C24 C 0.87335(17) 0.67221(16) 0.62386(14) 0.0182(3) Uani 1 1 d . . .
C25 C 0.58239(18) 0.63830(16) 0.41138(14) 0.0202(3) Uani 1 1 d . . .
H25 H 0.5824 0.7184 0.4558 0.024 Uiso 1 1 calc R . .
C26 C 0.6005(2) 0.6409(2) 0.31494(17) 0.0324(5) Uani 1 1 d . . .
H26A H 0.5927 0.5612 0.2672 0.049 Uiso 1 1 calc R . .
H26B H 0.6863 0.6974 0.3326 0.049 Uiso 1 1 calc R . .
H26C H 0.5342 0.6658 0.2833 0.049 Uiso 1 1 calc R . .
C27 C 0.4520(2) 0.5462(2) 0.3849(2) 0.0324(5) Uani 1 1 d . . .
H27A H 0.3827 0.5640 0.3480 0.049 Uiso 1 1 calc R . .
H27B H 0.4395 0.5489 0.4475 0.049 Uiso 1 1 calc R . .
H27C H 0.4500 0.4665 0.3422 0.049 Uiso 1 1 calc R . .
C28 C 0.96092(19) 0.75883(18) 0.73267(15) 0.0229(4) Uani 1 1 d . . .
H28 H 0.9359 0.8314 0.7530 0.027 Uiso 1 1 calc R . .
C29 C 0.9423(3) 0.7058(2) 0.80508(18) 0.0387(5) Uani 1 1 d . . .
H29A H 0.9654 0.6338 0.7864 0.058 Uiso 1 1 calc R . .
H29B H 0.8517 0.6853 0.8006 0.058 Uiso 1 1 calc R . .
H29C H 0.9977 0.7641 0.8748 0.058 Uiso 1 1 calc R . .
C30 C 1.1030(2) 0.7979(2) 0.74195(18) 0.0388(5) Uani 1 1 d . . .
H30A H 1.1307 0.7284 0.7236 0.058 Uiso 1 1 calc R . .
H30B H 1.1560 0.8566 0.8121 0.058 Uiso 1 1 calc R . .
H30C H 1.1133 0.8335 0.6961 0.058 Uiso 1 1 calc R . .
C31 C 0.4951(2) 1.06321(19) 0.82392(16) 0.0277(4) Uani 1 1 d . . .
H31A H 0.4338 1.0342 0.7554 0.041 Uiso 1 1 calc R . .
H31B H 0.5612 1.1390 0.8428 0.041 Uiso 1 1 calc R . .
H31C H 0.4490 1.0750 0.8723 0.041 Uiso 1 1 calc R . .
C32 C 0.6843(2) 1.0040(2) 0.95878(16) 0.0310(5) Uani 1 1 d . . .
H32A H 0.6355 1.0168 1.0052 0.046 Uiso 1 1 calc R . .
H32B H 0.7532 1.0788 0.9795 0.046 Uiso 1 1 calc R . .
H32C H 0.7222 0.9436 0.9610 0.046 Uiso 1 1 calc R . .
C33 C 0.4478(2) 0.80473(19) 0.78345(17) 0.0285(4) Uani 1 1 d . . .
H33A H 0.3941 0.7749 0.7123 0.043 Uiso 1 1 calc R . .
H33B H 0.3935 0.8140 0.8258 0.043 Uiso 1 1 calc R . .
H33C H 0.4897 0.7480 0.7896 0.043 Uiso 1 1 calc R . .
C41 C 0.7076(2) 0.3824(2) 1.00214(18) 0.0466(9) Uani 0.69 1 d PGD A -1
C42 C 0.6494(2) 0.4466(2) 0.9623(2) 0.0421(10) Uani 0.69 1 d PGD A -1
H42 H 0.5793 0.4658 0.9799 0.051 Uiso 0.69 1 calc PR A -1
C43 C 0.6937(3) 0.4827(2) 0.8966(2) 0.0495(10) Uani 0.69 1 d PG A -1
H43 H 0.6539 0.5266 0.8693 0.059 Uiso 0.69 1 calc PR A -1
C44 C 0.7963(3) 0.4546(2) 0.87074(18) 0.0411(8) Uani 0.69 1 d PG A -1
H44 H 0.8266 0.4793 0.8258 0.049 Uiso 0.69 1 calc PR A -1
C45 C 0.8545(2) 0.3904(2) 0.9106(2) 0.0399(8) Uani 0.69 1 d PG A -1
H45 H 0.9246 0.3712 0.8930 0.048 Uiso 0.69 1 calc PR A -1
C46 C 0.8102(2) 0.3543(2) 0.9763(2) 0.0398(8) Uani 0.69 1 d PGD A -1
H46 H 0.8500 0.3104 1.0036 0.048 Uiso 0.69 1 calc PR A -1
C47 C 0.6655(6) 0.3447(5) 1.0756(4) 0.0571(12) Uiso 0.69 1 d PD A -1
H47A H 0.6572 0.4123 1.1285 0.086 Uiso 0.69 1 calc PR A -1
H47B H 0.7299 0.3177 1.1069 0.086 Uiso 0.69 1 calc PR A -1
H47C H 0.5820 0.2794 1.0394 0.086 Uiso 0.69 1 calc PR A -1
C51 C 0.7737(6) 0.4064(6) 0.9487(4) 0.0466(9) Uani 0.31 1 d PGD B -2
C52 C 0.6578(6) 0.4278(6) 0.9377(5) 0.0304(19) Uiso 0.31 1 d PGD B -2
H52 H 0.6293 0.4579 0.8915 0.036 Uiso 0.31 1 calc PR B -2
C53 C 0.5837(6) 0.4052(7) 0.9943(6) 0.087(4) Uiso 0.31 1 d PG B -2
H53 H 0.5045 0.4199 0.9868 0.104 Uiso 0.31 1 calc PR B -2
C54 C 0.6255(6) 0.3612(6) 1.0619(5) 0.0397(19) Uiso 0.31 1 d PG B -2
H54 H 0.5748 0.3458 1.1005 0.048 Uiso 0.31 1 calc PR B -2
C55 C 0.7414(7) 0.3398(7) 1.0729(5) 0.059(3) Uiso 0.31 1 d PG B -2
H55 H 0.7699 0.3097 1.1191 0.071 Uiso 0.31 1 calc PR B -2
C56 C 0.8155(6) 0.3624(7) 1.0163(5) 0.052(3) Uiso 0.31 1 d PGD B -2
H56 H 0.8947 0.3477 1.0238 0.062 Uiso 0.31 1 calc PR B -2
C57 C 0.8502(14) 0.4302(17) 0.8871(12) 0.084(5) Uiso 0.31 1 d PD B -2
H57A H 0.7927 0.4233 0.8245 0.127 Uiso 0.31 1 calc PR B -2
H57B H 0.8943 0.3723 0.8701 0.127 Uiso 0.31 1 calc PR B -2
H57C H 0.9144 0.5109 0.9260 0.127 Uiso 0.31 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'
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'
Cl Cl 0.1484 0.1585 '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 Cl1 92.89(4) .
C1 Sn1 Cl1 100.55(5) 2_776
Cl1 Sn1 Cl1 85.629(15) 2_776
Sn1 Cl1 Sn1 94.372(15) 2_776
C31 Si1 C33 109.82(10) .
C31 Si1 C32 109.35(10) .
C33 Si1 C32 109.78(11) .
C31 Si1 C4 110.51(9) .
C33 Si1 C4 108.98(9) .
C32 Si1 C4 108.38(9) .
C6 C1 C2 117.23(15) .
C6 C1 Sn1 108.17(12) .
C2 C1 Sn1 134.57(13) .
C3 C2 C1 119.50(15) .
C3 C2 C7 114.91(15) .
C1 C2 C7 125.56(15) .
C2 C3 C4 123.35(16) .
C2 C3 H3 118.3 .
C4 C3 H3 118.3 .
C5 C4 C3 116.73(16) .
C5 C4 Si1 122.84(13) .
C3 C4 Si1 120.32(13) .
C6 C5 C4 121.20(16) .
C6 C5 H5 119.4 .
C4 C5 H5 119.4 .
C5 C6 C1 121.91(16) .
C5 C6 C19 118.72(15) .
C1 C6 C19 119.20(15) .
C12 C7 C8 120.54(16) .
C12 C7 C2 119.22(15) .
C8 C7 C2 119.76(16) .
C9 C8 C7 118.59(17) .
C9 C8 C13 120.09(16) .
C7 C8 C13 121.20(16) .
C10 C9 C8 121.14(17) .
C10 C9 H9 119.4 .
C8 C9 H9 119.4 .
C9 C10 C11 120.08(17) .
C9 C10 H10 120.0 .
C11 C10 H10 120.0 .
C10 C11 C12 120.89(18) .
C10 C11 H11 119.6 .
C12 C11 H11 119.6 .
C11 C12 C7 118.74(16) .
C11 C12 C16 119.43(16) .
C7 C12 C16 121.79(15) .
C8 C13 C14 113.93(16) .
C8 C13 C15 110.89(16) .
C14 C13 C15 108.31(16) .
C8 C13 H13 107.8 .
C14 C13 H13 107.8 .
C15 C13 H13 107.8 .
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 111.42(16) .
C12 C16 C17 113.20(16) .
C18 C16 C17 108.58(16) .
C12 C16 H16 107.8 .
C18 C16 H16 107.8 .
C17 C16 H16 107.8 .
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 .
C20 C19 C24 120.56(16) .
C20 C19 C6 121.24(16) .
C24 C19 C6 118.18(16) .
C21 C20 C19 118.65(17) .
C21 C20 C25 119.20(17) .
C19 C20 C25 122.15(16) .
C22 C21 C20 120.91(18) .
C22 C21 H21 119.5 .
C20 C21 H21 119.5 .
C23 C22 C21 120.04(17) .
C23 C22 H22 120.0 .
C21 C22 H22 120.0 .
C22 C23 C24 121.05(18) .
C22 C23 H23 119.5 .
C24 C23 H23 119.5 .
C23 C24 C19 118.79(17) .
C23 C24 C28 119.61(17) .
C19 C24 C28 121.60(16) .
C20 C25 C27 111.16(16) .
C20 C25 C26 111.63(16) .
C27 C25 C26 110.38(17) .
C20 C25 H25 107.8 .
C27 C25 H25 107.8 .
C26 C25 H25 107.8 .
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 111.06(18) .
C24 C28 C30 111.68(17) .
C29 C28 C30 110.74(19) .
C24 C28 H28 107.7 .
C29 C28 H28 107.7 .
C30 C28 H28 107.7 .
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 C46 120.0 .
C42 C41 C47 121.8(3) .
C46 C41 C47 118.2(3) .
C41 C42 C43 120.0 .
C41 C42 H42 120.0 .
C43 C42 H42 120.0 .
C44 C43 C42 120.0 .
C44 C43 H43 120.0 .
C42 C43 H43 120.0 .
C43 C44 C45 120.0 .
C43 C44 H44 120.0 .
C45 C44 H44 120.0 .
C46 C45 C44 120.0 .
C46 C45 H45 120.0 .
C44 C45 H45 120.0 .
C45 C46 C41 120.0 .
C45 C46 H46 120.0 .
C41 C46 H46 120.0 .
C41 C47 H47A 109.5 .
C41 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C41 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C52 C51 C56 120.0 .
C52 C51 C57 118.9(7) .
C56 C51 C57 121.1(7) .
C53 C52 C51 120.0 .
C53 C52 H52 120.0 .
C51 C52 H52 120.0 .
C52 C53 C54 120.0 .
C52 C53 H53 120.0 .
C54 C53 H53 120.0 .
C55 C54 C53 120.0 .
C55 C54 H54 120.0 .
C53 C54 H54 120.0 .
C54 C55 C56 120.0 .
C54 C55 H55 120.0 .
C56 C55 H55 120.0 .
C55 C56 C51 120.0 .
C55 C56 H56 120.0 .
C51 C56 H56 120.0 .
C51 C57 H57A 109.5 .
C51 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C51 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 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 2.2463(17) .
Sn1 Cl1 2.6157(5) .
Sn1 Cl1 2.6376(5) 2_776
Cl1 Sn1 2.6377(5) 2_776
Si1 C31 1.864(2) .
Si1 C33 1.865(2) .
Si1 C32 1.869(2) .
Si1 C4 1.8760(18) .
C1 C6 1.413(2) .
C1 C2 1.414(2) .
C2 C3 1.398(2) .
C2 C7 1.509(2) .
C3 C4 1.400(2) .
C3 H3 0.9500 .
C4 C5 1.397(2) .
C5 C6 1.394(2) .
C5 H5 0.9500 .
C6 C19 1.507(2) .
C7 C12 1.410(2) .
C7 C8 1.412(2) .
C8 C9 1.397(3) .
C8 C13 1.528(3) .
C9 C10 1.384(3) .
C9 H9 0.9500 .
C10 C11 1.385(3) .
C10 H10 0.9500 .
C11 C12 1.400(2) .
C11 H11 0.9500 .
C12 C16 1.528(2) .
C13 C14 1.532(3) .
C13 C15 1.538(3) .
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 1.532(3) .
C16 C17 1.533(3) .
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 C20 1.409(3) .
C19 C24 1.410(3) .
C20 C21 1.399(2) .
C20 C25 1.518(3) .
C21 C22 1.388(3) .
C21 H21 0.9500 .
C22 C23 1.383(3) .
C22 H22 0.9500 .
C23 C24 1.395(3) .
C23 H23 0.9500 .
C24 C28 1.521(3) .
C25 C27 1.528(3) .
C25 C26 1.533(3) .
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 1.524(3) .
C28 C30 1.531(3) .
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 1.3900 .
C41 C46 1.3900 .
C41 C47 1.499(5) .
C42 C43 1.3900 .
C42 H42 0.9500 .
C43 C44 1.3900 .
C43 H43 0.9500 .
C44 C45 1.3900 .
C44 H44 0.9500 .
C45 C46 1.3900 .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C51 C52 1.3900 .
C51 C56 1.3900 .
C51 C57 1.478(10) .
C52 C53 1.3900 .
C52 H52 0.9500 .
C53 C54 1.3900 .
C53 H53 0.9500 .
C54 C55 1.3900 .
C54 H54 0.9500 .
C55 C56 1.3900 .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
