#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/04/2230475.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2230475
loop_
_publ_author_name
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 catena-Poly[[tribenzyltin(IV)]-μ-(E)-3-phenylprop-2-enoato-κ²O:O']
;
_journal_coeditor_code           SI2355
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m744
_journal_page_last               m745
_journal_paper_doi               10.1107/S1600536811017247
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C7 H7)3 (C9 H7 O2)]'
_chemical_formula_moiety         'C30 H28 O2 Sn'
_chemical_formula_sum            'C30 H28 O2 Sn'
_chemical_formula_weight         539.21
_chemical_name_systematic
;
catena-Poly[[tribenzyltin(IV)]-μ-(E)-3-phenylprop-2-
enoato-κ²O:O']
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 110.2838(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.5847(3)
_cell_length_b                   10.2404(2)
_cell_length_c                   26.6224(4)
_cell_measurement_reflns_used    8518
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.64
_cell_measurement_theta_min      2.25
_cell_volume                     5008.16(15)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_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  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0771
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            47886
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.9028
_exptl_absorpt_correction_T_min  0.8183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.793
_refine_ls_abs_structure_details 'Flack (1983), 10328 Friedel pairs'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1189
_refine_ls_number_reflns         22492
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0349P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                19107
_reflns_number_total             22492
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            si2355.cif
_cod_data_source_block           I
_cod_original_cell_volume        5008.15(15)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2230475
_cod_database_fobs_code          2230475
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.494183(19) 0.50003(3) 0.024475(14) 0.01855(8) Uani d . 1 1 . .
Sn Sn2 0.473268(18) 0.73095(3) 0.477818(12) 0.01602(7) Uani d . 1 1 . .
Sn Sn3 0.028304(19) 0.67354(3) 0.517422(13) 0.01674(8) Uani d . 1 1 . .
Sn Sn4 0.005351(19) 0.96457(3) 0.977122(13) 0.01520(8) Uani d . 1 1 . .
O O1 0.4760(2) 0.6546(3) 0.07388(13) 0.0221(8) Uani d . 1 1 . .
O O2 0.4912(2) 0.8102(4) 0.02052(14) 0.0229(8) Uani d . 1 1 . .
O O3 0.41043(19) 0.8820(3) 0.42395(13) 0.0203(8) Uani d . 1 1 . .
O O4 0.47228(19) 1.0424(3) 0.47598(13) 0.0193(8) Uani d . 1 1 . .
O O5 0.09833(19) 0.5343(3) 0.57185(13) 0.0209(8) Uani d . 1 1 . .
O O6 0.0365(2) 0.3609(4) 0.52990(14) 0.0230(8) Uani d . 1 1 . .
O O7 0.01843(19) 0.8125(3) 0.92420(13) 0.0190(8) Uani d . 1 1 . .
O O8 0.00660(19) 0.6558(4) 0.97772(12) 0.0202(8) Uani d . 1 1 . .
C C1 0.6043(3) 0.5568(5) 0.0369(3) 0.0340(15) Uani d . 1 1 . .
H H1A 0.6084 0.5800 0.0020 0.041 Uiso calc R 1 1 . .
H H1B 0.6162 0.6356 0.0599 0.041 Uiso calc R 1 1 . .
C C2 0.6588(3) 0.4511(5) 0.0628(2) 0.0232(12) Uani d . 1 1 . .
C C3 0.6710(4) 0.4125(8) 0.1158(3) 0.0452(19) Uani d . 1 1 . .
H H3 0.6469 0.4562 0.1364 0.054 Uiso calc R 1 1 . .
C C4 0.7182(4) 0.3103(9) 0.1379(3) 0.059(2) Uani d . 1 1 . .
H H4 0.7246 0.2824 0.1733 0.070 Uiso calc R 1 1 . .
C C5 0.7559(4) 0.2487(6) 0.1100(3) 0.0441(18) Uani d . 1 1 . .
H H5 0.7887 0.1798 0.1259 0.053 Uiso calc R 1 1 . .
C C6 0.7456(4) 0.2872(6) 0.0598(3) 0.0368(15) Uani d . 1 1 . .
H H6 0.7726 0.2465 0.0405 0.044 Uiso calc R 1 1 . .
C C7 0.6965(3) 0.3852(5) 0.0354(2) 0.0286(13) Uani d . 1 1 . .
H H7 0.6887 0.4074 -0.0008 0.034 Uiso calc R 1 1 . .
C C8 0.4075(3) 0.5580(5) -0.0464(2) 0.0246(12) Uani d . 1 1 . .
H H8A 0.3876 0.6422 -0.0394 0.030 Uiso calc R 1 1 . .
H H8B 0.4276 0.5727 -0.0753 0.030 Uiso calc R 1 1 . .
C C9 0.3466(3) 0.4614(5) -0.0655(2) 0.0235(12) Uani d . 1 1 . .
C C10 0.3005(3) 0.4389(5) -0.0364(3) 0.0299(14) Uani d . 1 1 . .
H H10 0.3088 0.4844 -0.0037 0.036 Uiso calc R 1 1 . .
C C11 0.2438(3) 0.3526(6) -0.0539(3) 0.0399(16) Uani d . 1 1 . .
H H11 0.2134 0.3382 -0.0333 0.048 Uiso calc R 1 1 . .
C C12 0.2307(4) 0.2866(6) -0.1016(3) 0.054(2) Uani d . 1 1 . .
H H12 0.1910 0.2277 -0.1140 0.064 Uiso calc R 1 1 . .
C C13 0.2759(4) 0.3064(7) -0.1316(3) 0.0476(18) Uani d . 1 1 . .
H H13 0.2676 0.2608 -0.1643 0.057 Uiso calc R 1 1 . .
C C14 0.3328(4) 0.3931(6) -0.1128(3) 0.0338(15) Uani d . 1 1 . .
H H14 0.3637 0.4065 -0.1331 0.041 Uiso calc R 1 1 . .
C C15 0.4723(3) 0.3541(5) 0.0752(2) 0.0249(12) Uani d . 1 1 . .
H H15A 0.4236 0.3174 0.0556 0.030 Uiso calc R 1 1 . .
H H15B 0.5079 0.2826 0.0794 0.030 Uiso calc R 1 1 . .
C C16 0.4741(3) 0.3910(5) 0.1306(2) 0.0205(11) Uani d . 1 1 . .
C C17 0.4169(3) 0.4589(5) 0.1382(2) 0.0234(12) Uani d . 1 1 . .
H H17 0.3763 0.4841 0.1080 0.028 Uiso calc R 1 1 . .
C C18 0.4183(3) 0.4900(5) 0.1887(2) 0.0259(12) Uani d . 1 1 . .
H H18 0.3779 0.5340 0.1929 0.031 Uiso calc R 1 1 . .
C C19 0.4764(4) 0.4590(6) 0.2329(2) 0.0342(14) Uani d . 1 1 . .
H H19 0.4775 0.4838 0.2676 0.041 Uiso calc R 1 1 . .
C C20 0.5333(4) 0.3916(6) 0.2266(2) 0.0355(14) Uani d . 1 1 . .
H H20 0.5738 0.3676 0.2571 0.043 Uiso calc R 1 1 . .
C C21 0.5321(3) 0.3580(6) 0.1756(2) 0.0311(13) Uani d . 1 1 . .
H H21 0.5721 0.3116 0.1718 0.037 Uiso calc R 1 1 . .
C C22 0.4771(3) 0.7744(5) 0.0616(2) 0.0207(12) Uani d . 1 1 . .
C C23 0.4620(3) 0.8704(5) 0.0971(2) 0.0230(12) Uani d . 1 1 . .
H H23 0.4609 0.9605 0.0882 0.028 Uiso calc R 1 1 . .
C C24 0.4498(3) 0.8353(5) 0.1416(2) 0.0196(11) Uani d . 1 1 . .
H H24 0.4505 0.7443 0.1487 0.024 Uiso calc R 1 1 . .
C C25 0.4353(3) 0.9221(5) 0.1807(2) 0.0185(11) Uani d . 1 1 . .
C C26 0.4330(3) 0.8699(6) 0.2287(2) 0.0265(12) Uani d . 1 1 . .
H H26 0.4414 0.7792 0.2356 0.032 Uiso calc R 1 1 . .
C C27 0.4188(3) 0.9474(5) 0.2661(2) 0.0274(13) Uani d . 1 1 . .
H H27 0.4174 0.9103 0.2985 0.033 Uiso calc R 1 1 . .
C C28 0.4065(3) 1.0788(5) 0.2565(2) 0.0248(12) Uani d . 1 1 . .
H H28 0.3959 1.1323 0.2820 0.030 Uiso calc R 1 1 . .
C C29 0.4094(3) 1.1328(5) 0.2102(2) 0.0293(13) Uani d . 1 1 . .
H H29 0.4016 1.2239 0.2039 0.035 Uiso calc R 1 1 . .
C C30 0.4236(3) 1.0553(5) 0.1727(2) 0.0269(13) Uani d . 1 1 . .
H H30 0.4255 1.0938 0.1407 0.032 Uiso calc R 1 1 . .
C C31 0.4127(3) 0.5818(5) 0.4236(2) 0.0247(12) Uani d . 1 1 . .
H H31A 0.4468 0.5336 0.4104 0.030 Uiso calc R 1 1 . .
H H31B 0.3942 0.5193 0.4442 0.030 Uiso calc R 1 1 . .
C C32 0.3498(3) 0.6254(4) 0.3762(2) 0.0201(11) Uani d . 1 1 . .
C C33 0.3584(3) 0.6618(6) 0.32802(19) 0.0274(12) Uani d . 1 1 . .
H H33 0.4051 0.6545 0.3249 0.033 Uiso calc R 1 1 . .
C C34 0.3016(4) 0.7078(6) 0.2854(2) 0.0386(16) Uani d . 1 1 . .
H H34 0.3096 0.7337 0.2536 0.046 Uiso calc R 1 1 . .
C C35 0.2325(3) 0.7166(5) 0.2882(2) 0.0320(14) Uani d . 1 1 . .
H H35 0.1930 0.7481 0.2586 0.038 Uiso calc R 1 1 . .
C C36 0.2216(3) 0.6789(6) 0.3348(2) 0.0295(12) Uani d . 1 1 . .
H H36 0.1744 0.6831 0.3373 0.035 Uiso calc R 1 1 . .
C C37 0.2801(3) 0.6352(5) 0.3778(2) 0.0227(12) Uani d . 1 1 . .
H H37 0.2721 0.6109 0.4098 0.027 Uiso calc R 1 1 . .
C C38 0.4420(3) 0.7885(5) 0.5446(2) 0.0228(11) Uani d . 1 1 . .
H H38A 0.4860 0.8185 0.5740 0.027 Uiso calc R 1 1 . .
H H38B 0.4082 0.8635 0.5336 0.027 Uiso calc R 1 1 . .
C C39 0.4064(3) 0.6834(5) 0.56550(19) 0.0190(11) Uani d . 1 1 . .
C C40 0.3371(3) 0.6403(5) 0.5355(2) 0.0233(12) Uani d . 1 1 . .
H H40 0.3121 0.6802 0.5019 0.028 Uiso calc R 1 1 . .
C C41 0.3034(3) 0.5407(5) 0.5532(2) 0.0289(13) Uani d . 1 1 . .
H H41 0.2563 0.5116 0.5314 0.035 Uiso calc R 1 1 . .
C C42 0.3376(3) 0.4838(5) 0.6021(2) 0.0292(13) Uani d . 1 1 . .
H H42 0.3145 0.4157 0.6144 0.035 Uiso calc R 1 1 . .
C C43 0.4055(3) 0.5260(5) 0.6331(2) 0.0288(13) Uani d . 1 1 . .
H H43 0.4294 0.4875 0.6671 0.035 Uiso calc R 1 1 . .
C C44 0.4395(3) 0.6249(5) 0.6149(2) 0.0235(12) Uani d . 1 1 . .
H H44 0.4866 0.6531 0.6369 0.028 Uiso calc R 1 1 . .
C C45 0.5767(3) 0.7892(5) 0.4745(2) 0.0188(11) Uani d . 1 1 . .
H H45A 0.5720 0.8779 0.4588 0.023 Uiso calc R 1 1 . .
H H45B 0.6123 0.7939 0.5114 0.023 Uiso calc R 1 1 . .
C C46 0.6058(3) 0.6986(4) 0.4421(2) 0.0200(11) Uani d . 1 1 . .
C C47 0.5753(3) 0.6973(5) 0.3862(2) 0.0274(13) Uani d . 1 1 . .
H H47 0.5345 0.7513 0.3688 0.033 Uiso calc R 1 1 . .
C C48 0.6036(4) 0.6189(6) 0.3561(2) 0.0339(15) Uani d . 1 1 . .
H H48 0.5815 0.6187 0.3182 0.041 Uiso calc R 1 1 . .
C C49 0.6631(4) 0.5412(6) 0.3802(2) 0.0359(15) Uani d . 1 1 . .
H H49 0.6832 0.4894 0.3591 0.043 Uiso calc R 1 1 . .
C C50 0.6932(3) 0.5396(5) 0.4352(2) 0.0323(14) Uani d . 1 1 . .
H H50 0.7336 0.4844 0.4523 0.039 Uiso calc R 1 1 . .
C C51 0.6652(3) 0.6174(5) 0.4658(2) 0.0255(12) Uani d . 1 1 . .
H H51 0.6869 0.6154 0.5037 0.031 Uiso calc R 1 1 . .
C C52 0.4226(3) 1.0026(5) 0.43487(18) 0.0173(10) Uani d . 1 1 . .
C C53 0.3748(3) 1.0960(5) 0.3960(2) 0.0209(12) Uani d . 1 1 . .
H H53 0.3868 1.1863 0.4000 0.025 Uiso calc R 1 1 . .
C C54 0.3165(3) 1.0594(5) 0.35629(19) 0.0186(11) Uani d . 1 1 . .
H H54 0.3071 0.9681 0.3537 0.022 Uiso calc R 1 1 . .
C C55 0.2638(3) 1.1401(5) 0.3153(2) 0.0197(11) Uani d . 1 1 . .
C C56 0.2761(3) 1.2723(5) 0.3087(2) 0.0246(13) Uani d . 1 1 . .
H H56 0.3199 1.3127 0.3307 0.030 Uiso calc R 1 1 . .
C C57 0.2234(4) 1.3452(6) 0.2693(2) 0.0369(16) Uani d . 1 1 . .
H H57 0.2316 1.4351 0.2647 0.044 Uiso calc R 1 1 . .
C C58 0.1606(4) 1.2879(7) 0.2376(2) 0.0394(17) Uani d . 1 1 . .
H H58 0.1255 1.3381 0.2109 0.047 Uiso calc R 1 1 . .
C C59 0.1474(3) 1.1582(7) 0.2438(2) 0.0391(16) Uani d . 1 1 . .
H H59 0.1030 1.1191 0.2221 0.047 Uiso calc R 1 1 . .
C C60 0.1993(3) 1.0849(6) 0.2821(2) 0.0286(13) Uani d . 1 1 . .
H H60 0.1905 0.9947 0.2857 0.034 Uiso calc R 1 1 . .
C C61 0.0888(3) 0.8352(5) 0.5635(2) 0.0232(12) Uani d . 1 1 . .
H H61A 0.1113 0.8824 0.5407 0.028 Uiso calc R 1 1 . .
H H61B 0.0534 0.8956 0.5701 0.028 Uiso calc R 1 1 . .
C C62 0.1474(3) 0.8092(5) 0.6162(2) 0.0187(11) Uani d . 1 1 . .
C C63 0.2155(3) 0.7625(5) 0.6187(2) 0.0227(12) Uani d . 1 1 . .
H H63 0.2243 0.7460 0.5864 0.027 Uiso calc R 1 1 . .
C C64 0.2702(3) 0.7397(5) 0.6669(2) 0.0258(12) Uani d . 1 1 . .
H H64 0.3163 0.7088 0.6676 0.031 Uiso calc R 1 1 . .
C C65 0.2581(3) 0.7618(5) 0.7140(2) 0.0292(14) Uani d . 1 1 . .
H H65 0.2951 0.7443 0.7474 0.035 Uiso calc R 1 1 . .
C C66 0.1910(3) 0.8099(6) 0.7120(2) 0.0357(14) Uani d . 1 1 . .
H H66 0.1827 0.8280 0.7444 0.043 Uiso calc R 1 1 . .
C C67 0.1363(3) 0.8318(5) 0.6637(2) 0.0251(12) Uani d . 1 1 . .
H H67 0.0904 0.8629 0.6632 0.030 Uiso calc R 1 1 . .
C C68 -0.0718(3) 0.6155(5) 0.5268(2) 0.0214(11) Uani d . 1 1 . .
H H68A -0.1100 0.6092 0.4909 0.026 Uiso calc R 1 1 . .
H H68B -0.0654 0.5275 0.5432 0.026 Uiso calc R 1 1 . .
C C69 -0.0970(3) 0.7083(4) 0.5609(2) 0.0213(12) Uani d . 1 1 . .
C C70 -0.0571(3) 0.7209(6) 0.6152(2) 0.0266(12) Uani d . 1 1 . .
H H70 -0.0123 0.6754 0.6300 0.032 Uiso calc R 1 1 . .
C C71 -0.0816(3) 0.7986(6) 0.6478(2) 0.0310(14) Uani d . 1 1 . .
H H71 -0.0540 0.8048 0.6849 0.037 Uiso calc R 1 1 . .
C C72 -0.1456(3) 0.8671(6) 0.6268(2) 0.0327(14) Uani d . 1 1 . .
H H72 -0.1620 0.9210 0.6493 0.039 Uiso calc R 1 1 . .
C C73 -0.1860(3) 0.8574(6) 0.5729(2) 0.0355(15) Uani d . 1 1 . .
H H73 -0.2303 0.9045 0.5583 0.043 Uiso calc R 1 1 . .
C C74 -0.1613(3) 0.7780(5) 0.5399(2) 0.0259(13) Uani d . 1 1 . .
H H74 -0.1889 0.7719 0.5028 0.031 Uiso calc R 1 1 . .
C C75 0.0512(3) 0.6192(5) 0.44671(19) 0.0213(11) Uani d . 1 1 . .
H H75A 0.0834 0.5418 0.4549 0.026 Uiso calc R 1 1 . .
H H75B 0.0051 0.5944 0.4182 0.026 Uiso calc R 1 1 . .
C C76 0.0868(3) 0.7266(5) 0.42624(19) 0.0206(11) Uani d . 1 1 . .
C C77 0.0490(3) 0.7940(5) 0.3790(2) 0.0220(12) Uani d . 1 1 . .
H H77 0.0005 0.7695 0.3588 0.026 Uiso calc R 1 1 . .
C C78 0.0817(3) 0.8971(5) 0.3613(2) 0.0283(13) Uani d . 1 1 . .
H H78 0.0557 0.9412 0.3289 0.034 Uiso calc R 1 1 . .
C C79 0.1511(3) 0.9339(5) 0.3908(2) 0.0254(13) Uani d . 1 1 . .
H H79 0.1724 1.0063 0.3794 0.030 Uiso calc R 1 1 . .
C C80 0.1908(3) 0.8678(5) 0.4368(2) 0.0266(12) Uani d . 1 1 . .
H H80 0.2397 0.8921 0.4564 0.032 Uiso calc R 1 1 . .
C C81 0.1583(3) 0.7657(5) 0.4541(2) 0.0269(13) Uani d . 1 1 . .
H H81 0.1855 0.7206 0.4859 0.032 Uiso calc R 1 1 . .
C C82 0.0870(3) 0.4108(5) 0.5670(2) 0.0192(11) Uani d . 1 1 . .
C C83 0.1389(3) 0.3275(5) 0.6085(2) 0.0197(11) Uani d . 1 1 . .
H H83 0.1327 0.2354 0.6062 0.024 Uiso calc R 1 1 . .
C C84 0.1945(3) 0.3780(5) 0.6491(2) 0.0215(11) Uani d . 1 1 . .
H H84 0.1982 0.4705 0.6497 0.026 Uiso calc R 1 1 . .
C C85 0.2497(3) 0.3101(5) 0.6923(2) 0.0215(11) Uani d . 1 1 . .
C C86 0.3104(3) 0.3805(5) 0.7234(2) 0.0222(11) Uani d . 1 1 . .
H H86 0.3130 0.4712 0.7168 0.027 Uiso calc R 1 1 . .
C C87 0.3672(3) 0.3224(5) 0.7637(2) 0.0266(13) Uani d . 1 1 . .
H H87 0.4087 0.3719 0.7837 0.032 Uiso calc R 1 1 . .
C C88 0.3628(3) 0.1911(6) 0.7745(2) 0.0299(14) Uani d . 1 1 . .
H H88 0.4014 0.1504 0.8021 0.036 Uiso calc R 1 1 . .
C C89 0.3017(3) 0.1181(6) 0.7448(2) 0.0309(13) Uani d . 1 1 . .
H H89 0.2984 0.0286 0.7530 0.037 Uiso calc R 1 1 . .
C C90 0.2466(3) 0.1755(6) 0.70375(19) 0.0233(11) Uani d . 1 1 . .
H H90 0.2061 0.1247 0.6829 0.028 Uiso calc R 1 1 . .
C C91 -0.1039(3) 0.9099(5) 0.9703(2) 0.0185(11) Uani d . 1 1 . .
H H91A -0.1149 0.8220 0.9540 0.022 Uiso calc R 1 1 . .
H H91B -0.1074 0.9056 1.0065 0.022 Uiso calc R 1 1 . .
C C92 -0.1584(3) 1.0044(5) 0.9372(2) 0.0211(11) Uani d . 1 1 . .
C C93 -0.1720(3) 1.0147(6) 0.8833(2) 0.0308(14) Uani d . 1 1 . .
H H93 -0.1473 0.9579 0.8671 0.037 Uiso calc R 1 1 . .
C C94 -0.2202(4) 1.1044(7) 0.8519(2) 0.0369(16) Uani d . 1 1 . .
H H94 -0.2286 1.1085 0.8146 0.044 Uiso calc R 1 1 . .
C C95 -0.2562(3) 1.1883(6) 0.8745(2) 0.0325(14) Uani d . 1 1 . .
H H95 -0.2886 1.2519 0.8530 0.039 Uiso calc R 1 1 . .
C C96 -0.2451(3) 1.1797(6) 0.9285(2) 0.0275(12) Uani d . 1 1 . .
H H96 -0.2706 1.2359 0.9443 0.033 Uiso calc R 1 1 . .
C C97 -0.1961(3) 1.0882(5) 0.9599(2) 0.0256(12) Uani d . 1 1 . .
H H97 -0.1882 1.0826 0.9971 0.031 Uiso calc R 1 1 . .
C C98 0.0961(3) 0.9066(5) 1.0462(2) 0.0240(12) Uani d . 1 1 . .
H H98A 0.0783 0.8867 1.0759 0.029 Uiso calc R 1 1 . .
H H98B 0.1174 0.8255 1.0376 0.029 Uiso calc R 1 1 . .
C C99 0.1547(3) 1.0089(5) 1.0646(2) 0.0205(11) Uani d . 1 1 . .
C C100 0.1679(3) 1.0771(6) 1.1124(2) 0.0279(13) Uani d . 1 1 . .
H H100 0.1397 1.0594 1.1344 0.034 Uiso calc R 1 1 . .
C C101 0.2226(3) 1.1710(6) 1.1278(2) 0.0376(15) Uani d . 1 1 . .
H H101 0.2324 1.2151 1.1610 0.045 Uiso calc R 1 1 . .
C C102 0.2626(3) 1.2015(6) 1.0962(3) 0.0395(16) Uani d . 1 1 . .
H H102 0.2981 1.2688 1.1064 0.047 Uiso calc R 1 1 . .
C C103 0.2507(3) 1.1338(6) 1.0499(2) 0.0364(15) Uani d . 1 1 . .
H H103 0.2796 1.1519 1.0285 0.044 Uiso calc R 1 1 . .
C C104 0.1969(3) 1.0384(6) 1.0336(2) 0.0297(13) Uani d . 1 1 . .
H H104 0.1889 0.9931 1.0009 0.036 Uiso calc R 1 1 . .
C C105 0.0206(3) 1.1114(5) 0.92432(19) 0.0197(11) Uani d . 1 1 . .
H H10A -0.0204 1.1736 0.9164 0.024 Uiso calc R 1 1 . .
H H10B 0.0655 1.1603 0.9442 0.024 Uiso calc R 1 1 . .
C C106 0.0264(3) 1.0695(5) 0.8717(2) 0.0184(11) Uani d . 1 1 . .
C C107 0.0906(3) 1.0169(5) 0.8689(2) 0.0214(11) Uani d . 1 1 . .
H H107 0.1314 1.0073 0.9009 0.026 Uiso calc R 1 1 . .
C C108 0.0966(3) 0.9781(5) 0.8207(2) 0.0290(13) Uani d . 1 1 . .
H H108 0.1411 0.9438 0.8196 0.035 Uiso calc R 1 1 . .
C C109 0.0365(4) 0.9903(6) 0.7740(2) 0.0333(14) Uani d . 1 1 . .
H H109 0.0397 0.9631 0.7408 0.040 Uiso calc R 1 1 . .
C C110 -0.0274(4) 1.0413(6) 0.7757(2) 0.0343(14) Uani d . 1 1 . .
H H110 -0.0684 1.0492 0.7437 0.041 Uiso calc R 1 1 . .
C C111 -0.0321(3) 1.0813(5) 0.8239(2) 0.0256(12) Uani d . 1 1 . .
H H111 -0.0764 1.1178 0.8245 0.031 Uiso calc R 1 1 . .
C C112 0.0173(3) 0.6923(5) 0.9362(2) 0.0186(11) Uani d . 1 1 . .
C C113 0.0302(3) 0.5973(5) 0.89888(19) 0.0207(11) Uani d . 1 1 . .
H H113 0.0291 0.5068 0.9063 0.025 Uiso calc R 1 1 . .
C C114 0.0434(3) 0.6336(5) 0.85527(18) 0.0171(10) Uani d . 1 1 . .
H H114 0.0420 0.7248 0.8484 0.021 Uiso calc R 1 1 . .
C C115 0.0600(3) 0.5495(5) 0.8165(2) 0.0209(11) Uani d . 1 1 . .
C C116 0.0818(3) 0.6041(6) 0.7767(2) 0.0288(13) Uani d . 1 1 . .
H H116 0.0833 0.6964 0.7737 0.035 Uiso calc R 1 1 . .
C C117 0.1014(3) 0.5260(6) 0.7412(2) 0.0336(14) Uani d . 1 1 . .
H H117 0.1169 0.5651 0.7146 0.040 Uiso calc R 1 1 . .
C C118 0.0984(3) 0.3923(6) 0.7444(2) 0.0283(13) Uani d . 1 1 . .
H H118 0.1114 0.3391 0.7200 0.034 Uiso calc R 1 1 . .
C C119 0.0764(4) 0.3354(5) 0.7832(2) 0.0370(16) Uani d . 1 1 . .
H H119 0.0744 0.2430 0.7856 0.044 Uiso calc R 1 1 . .
C C120 0.0571(4) 0.4140(5) 0.8189(2) 0.0334(15) Uani d . 1 1 . .
H H120 0.0416 0.3743 0.8454 0.040 Uiso calc R 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C8 Sn1 C1 . . 120.6(2) ?
C8 Sn1 C15 . . 118.4(2) ?
C1 Sn1 C15 . . 119.9(2) ?
C8 Sn1 O1 . . 94.91(17) ?
C1 Sn1 O1 . . 94.35(18) ?
C15 Sn1 O1 . . 90.95(15) ?
C8 Sn1 O2 . 2_645 88.82(17) ?
C1 Sn1 O2 . 2_645 90.56(17) ?
C15 Sn1 O2 . 2_645 80.29(17) ?
O1 Sn1 O2 . 2_645 171.20(10) yes
C45 Sn2 C38 . . 120.1(2) ?
C45 Sn2 C31 . . 118.6(2) ?
C38 Sn2 C31 . . 119.9(2) ?
C45 Sn2 O3 . . 95.81(17) ?
C38 Sn2 O3 . . 95.27(17) ?
C31 Sn2 O3 . . 90.46(15) ?
C45 Sn2 O4 . 2_646 89.23(16) ?
C38 Sn2 O4 . 2_646 90.00(16) ?
C31 Sn2 O4 . 2_646 79.16(17) ?
O3 Sn2 O4 . 2_646 169.60(10) yes
C68 Sn3 O5 . . 97.63(17) ?
C68 Sn3 C75 . . 120.36(19) ?
O5 Sn3 C75 . . 98.06(17) ?
C68 Sn3 C61 . . 119.5(2) ?
O5 Sn3 C61 . . 91.71(16) ?
C75 Sn3 C61 . . 117.1(2) ?
C68 Sn3 O6 . 2_556 86.80(17) ?
O5 Sn3 O6 . 2_556 168.40(10) yes
C75 Sn3 O6 . 2_556 88.87(16) ?
C61 Sn3 O6 . 2_556 76.76(16) ?
C105 Sn4 C98 . . 119.4(2) ?
C105 Sn4 C91 . . 119.1(2) ?
C98 Sn4 C91 . . 120.1(2) ?
C105 Sn4 O7 . . 90.16(15) ?
C98 Sn4 O7 . . 96.21(17) ?
C91 Sn4 O7 . . 95.52(17) ?
C105 Sn4 O8 . 2_557 79.21(16) ?
C98 Sn4 O8 . 2_557 89.56(17) ?
C91 Sn4 O8 . 2_557 89.27(16) ?
O7 Sn4 O8 . 2_557 169.40(10) yes
C22 O1 Sn1 . . 122.0(3) ?
C22 O2 Sn1 . 2_655 141.0(3) ?
C52 O3 Sn2 . . 121.4(3) ?
C52 O4 Sn2 . 2_656 143.3(3) ?
C82 O5 Sn3 . . 122.6(3) ?
C82 O6 Sn3 . 2_546 151.3(3) ?
C112 O7 Sn4 . . 120.8(3) ?
C112 O8 Sn4 . 2_547 141.0(3) ?
C2 C1 Sn1 . . 113.0(4) ?
C2 C1 H1A . . 109.0 ?
Sn1 C1 H1A . . 109.0 ?
C2 C1 H1B . . 109.0 ?
Sn1 C1 H1B . . 109.0 ?
H1A C1 H1B . . 107.8 ?
C7 C2 C3 . . 117.2(6) ?
C7 C2 C1 . . 122.3(5) ?
C3 C2 C1 . . 120.5(6) ?
C4 C3 C2 . . 119.7(6) ?
C4 C3 H3 . . 120.1 ?
C2 C3 H3 . . 120.1 ?
C5 C4 C3 . . 121.5(6) ?
C5 C4 H4 . . 119.2 ?
C3 C4 H4 . . 119.2 ?
C6 C5 C4 . . 118.9(6) ?
C6 C5 H5 . . 120.5 ?
C4 C5 H5 . . 120.5 ?
C5 C6 C7 . . 121.3(6) ?
C5 C6 H6 . . 119.3 ?
C7 C6 H6 . . 119.3 ?
C2 C7 C6 . . 121.2(6) ?
C2 C7 H7 . . 119.4 ?
C6 C7 H7 . . 119.4 ?
C9 C8 Sn1 . . 114.3(4) ?
C9 C8 H8A . . 108.7 ?
Sn1 C8 H8A . . 108.7 ?
C9 C8 H8B . . 108.7 ?
Sn1 C8 H8B . . 108.7 ?
H8A C8 H8B . . 107.6 ?
C14 C9 C10 . . 117.5(6) ?
C14 C9 C8 . . 121.7(5) ?
C10 C9 C8 . . 120.8(5) ?
C11 C10 C9 . . 121.4(6) ?
C11 C10 H10 . . 119.3 ?
C9 C10 H10 . . 119.3 ?
C10 C11 C12 . . 119.9(6) ?
C10 C11 H11 . . 120.1 ?
C12 C11 H11 . . 120.1 ?
C11 C12 C13 . . 120.2(6) ?
C11 C12 H12 . . 119.9 ?
C13 C12 H12 . . 119.9 ?
C14 C13 C12 . . 118.6(6) ?
C14 C13 H13 . . 120.7 ?
C12 C13 H13 . . 120.7 ?
C13 C14 C9 . . 122.4(6) ?
C13 C14 H14 . . 118.8 ?
C9 C14 H14 . . 118.8 ?
C16 C15 Sn1 . . 119.7(4) ?
C16 C15 H15A . . 107.4 ?
Sn1 C15 H15A . . 107.4 ?
C16 C15 H15B . . 107.4 ?
Sn1 C15 H15B . . 107.4 ?
H15A C15 H15B . . 106.9 ?
C21 C16 C17 . . 117.3(5) ?
C21 C16 C15 . . 121.3(5) ?
C17 C16 C15 . . 121.4(5) ?
C18 C17 C16 . . 121.0(5) ?
C18 C17 H17 . . 119.5 ?
C16 C17 H17 . . 119.5 ?
C19 C18 C17 . . 121.4(5) ?
C19 C18 H18 . . 119.3 ?
C17 C18 H18 . . 119.3 ?
C18 C19 C20 . . 118.9(5) ?
C18 C19 H19 . . 120.6 ?
C20 C19 H19 . . 120.6 ?
C19 C20 C21 . . 120.3(6) ?
C19 C20 H20 . . 119.8 ?
C21 C20 H20 . . 119.8 ?
C16 C21 C20 . . 121.2(5) ?
C16 C21 H21 . . 119.4 ?
C20 C21 H21 . . 119.4 ?
O2 C22 O1 . . 121.8(5) ?
O2 C22 C23 . . 120.9(5) ?
O1 C22 C23 . . 117.3(5) ?
C24 C23 C22 . . 122.0(5) ?
C24 C23 H23 . . 119.0 ?
C22 C23 H23 . . 119.0 ?
C23 C24 C25 . . 127.1(5) ?
C23 C24 H24 . . 116.5 ?
C25 C24 H24 . . 116.5 ?
C30 C25 C26 . . 117.3(5) ?
C30 C25 C24 . . 123.3(5) ?
C26 C25 C24 . . 119.4(4) ?
C27 C26 C25 . . 121.3(5) ?
C27 C26 H26 . . 119.3 ?
C25 C26 H26 . . 119.3 ?
C28 C27 C26 . . 119.6(5) ?
C28 C27 H27 . . 120.2 ?
C26 C27 H27 . . 120.2 ?
C29 C28 C27 . . 120.3(5) ?
C29 C28 H28 . . 119.9 ?
C27 C28 H28 . . 119.9 ?
C28 C29 C30 . . 120.1(5) ?
C28 C29 H29 . . 120.0 ?
C30 C29 H29 . . 120.0 ?
C29 C30 C25 . . 121.3(5) ?
C29 C30 H30 . . 119.3 ?
C25 C30 H30 . . 119.3 ?
C32 C31 Sn2 . . 117.1(3) ?
C32 C31 H31A . . 108.0 ?
Sn2 C31 H31A . . 108.0 ?
C32 C31 H31B . . 108.0 ?
Sn2 C31 H31B . . 108.0 ?
H31A C31 H31B . . 107.3 ?
C37 C32 C33 . . 116.3(5) ?
C37 C32 C31 . . 121.9(5) ?
C33 C32 C31 . . 121.8(5) ?
C34 C33 C32 . . 121.9(5) ?
C34 C33 H33 . . 119.0 ?
C32 C33 H33 . . 119.0 ?
C33 C34 C35 . . 120.4(5) ?
C33 C34 H34 . . 119.8 ?
C35 C34 H34 . . 119.8 ?
C34 C35 C36 . . 119.2(5) ?
C34 C35 H35 . . 120.4 ?
C36 C35 H35 . . 120.4 ?
C37 C36 C35 . . 119.5(5) ?
C37 C36 H36 . . 120.3 ?
C35 C36 H36 . . 120.3 ?
C36 C37 C32 . . 122.6(5) ?
C36 C37 H37 . . 118.7 ?
C32 C37 H37 . . 118.7 ?
C39 C38 Sn2 . . 114.5(3) ?
C39 C38 H38A . . 108.6 ?
Sn2 C38 H38A . . 108.6 ?
C39 C38 H38B . . 108.6 ?
Sn2 C38 H38B . . 108.6 ?
H38A C38 H38B . . 107.6 ?
C44 C39 C40 . . 116.8(5) ?
C44 C39 C38 . . 122.8(5) ?
C40 C39 C38 . . 120.4(4) ?
C41 C40 C39 . . 121.7(5) ?
C41 C40 H40 . . 119.1 ?
C39 C40 H40 . . 119.1 ?
C42 C41 C40 . . 120.2(5) ?
C42 C41 H41 . . 119.9 ?
C40 C41 H41 . . 119.9 ?
C43 C42 C41 . . 119.4(5) ?
C43 C42 H42 . . 120.3 ?
C41 C42 H42 . . 120.3 ?
C42 C43 C44 . . 120.2(5) ?
C42 C43 H43 . . 119.9 ?
C44 C43 H43 . . 119.9 ?
C39 C44 C43 . . 121.6(5) ?
C39 C44 H44 . . 119.2 ?
C43 C44 H44 . . 119.2 ?
C46 C45 Sn2 . . 113.8(3) ?
C46 C45 H45A . . 108.8 ?
Sn2 C45 H45A . . 108.8 ?
C46 C45 H45B . . 108.8 ?
Sn2 C45 H45B . . 108.8 ?
H45A C45 H45B . . 107.7 ?
C51 C46 C47 . . 117.3(5) ?
C51 C46 C45 . . 122.1(5) ?
C47 C46 C45 . . 120.5(5) ?
C48 C47 C46 . . 121.0(5) ?
C48 C47 H47 . . 119.5 ?
C46 C47 H47 . . 119.5 ?
C49 C48 C47 . . 120.9(6) ?
C49 C48 H48 . . 119.5 ?
C47 C48 H48 . . 119.5 ?
C48 C49 C50 . . 119.0(5) ?
C48 C49 H49 . . 120.5 ?
C50 C49 H49 . . 120.5 ?
C49 C50 C51 . . 120.6(5) ?
C49 C50 H50 . . 119.7 ?
C51 C50 H50 . . 119.7 ?
C50 C51 C46 . . 121.2(5) ?
C50 C51 H51 . . 119.4 ?
C46 C51 H51 . . 119.4 ?
O4 C52 O3 . . 122.8(5) ?
O4 C52 C53 . . 120.8(5) ?
O3 C52 C53 . . 116.4(4) ?
C54 C53 C52 . . 122.7(5) ?
C54 C53 H53 . . 118.6 ?
C52 C53 H53 . . 118.6 ?
C53 C54 C55 . . 128.9(5) ?
C53 C54 H54 . . 115.6 ?
C55 C54 H54 . . 115.6 ?
C60 C55 C56 . . 118.2(5) ?
C60 C55 C54 . . 119.6(5) ?
C56 C55 C54 . . 122.2(5) ?
C55 C56 C57 . . 119.7(6) ?
C55 C56 H56 . . 120.2 ?
C57 C56 H56 . . 120.2 ?
C58 C57 C56 . . 120.5(6) ?
C58 C57 H57 . . 119.8 ?
C56 C57 H57 . . 119.8 ?
C57 C58 C59 . . 120.6(6) ?
C57 C58 H58 . . 119.7 ?
C59 C58 H58 . . 119.7 ?
C58 C59 C60 . . 119.5(6) ?
C58 C59 H59 . . 120.3 ?
C60 C59 H59 . . 120.3 ?
C59 C60 C55 . . 121.5(6) ?
C59 C60 H60 . . 119.3 ?
C55 C60 H60 . . 119.3 ?
C62 C61 Sn3 . . 119.3(3) ?
C62 C61 H61A . . 107.5 ?
Sn3 C61 H61A . . 107.5 ?
C62 C61 H61B . . 107.5 ?
Sn3 C61 H61B . . 107.5 ?
H61A C61 H61B . . 107.0 ?
C67 C62 C63 . . 117.8(5) ?
C67 C62 C61 . . 121.2(5) ?
C63 C62 C61 . . 121.0(5) ?
C64 C63 C62 . . 121.6(5) ?
C64 C63 H63 . . 119.2 ?
C62 C63 H63 . . 119.2 ?
C65 C64 C63 . . 119.9(5) ?
C65 C64 H64 . . 120.1 ?
C63 C64 H64 . . 120.1 ?
C64 C65 C66 . . 119.0(5) ?
C64 C65 H65 . . 120.5 ?
C66 C65 H65 . . 120.5 ?
C67 C66 C65 . . 120.9(5) ?
C67 C66 H66 . . 119.6 ?
C65 C66 H66 . . 119.6 ?
C62 C67 C66 . . 120.8(5) ?
C62 C67 H67 . . 119.6 ?
C66 C67 H67 . . 119.6 ?
C69 C68 Sn3 . . 113.5(3) ?
C69 C68 H68A . . 108.9 ?
Sn3 C68 H68A . . 108.9 ?
C69 C68 H68B . . 108.9 ?
Sn3 C68 H68B . . 108.9 ?
H68A C68 H68B . . 107.7 ?
C74 C69 C70 . . 118.4(5) ?
C74 C69 C68 . . 121.5(5) ?
C70 C69 C68 . . 120.0(5) ?
C71 C70 C69 . . 121.0(6) ?
C71 C70 H70 . . 119.5 ?
C69 C70 H70 . . 119.5 ?
C72 C71 C70 . . 120.3(5) ?
C72 C71 H71 . . 119.9 ?
C70 C71 H71 . . 119.9 ?
C71 C72 C73 . . 120.0(5) ?
C71 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C72 C73 C74 . . 119.7(6) ?
C72 C73 H73 . . 120.2 ?
C74 C73 H73 . . 120.2 ?
C69 C74 C73 . . 120.6(5) ?
C69 C74 H74 . . 119.7 ?
C73 C74 H74 . . 119.7 ?
C76 C75 Sn3 . . 113.1(3) ?
C76 C75 H75A . . 109.0 ?
Sn3 C75 H75A . . 109.0 ?
C76 C75 H75B . . 109.0 ?
Sn3 C75 H75B . . 109.0 ?
H75A C75 H75B . . 107.8 ?
C81 C76 C77 . . 117.1(5) ?
C81 C76 C75 . . 121.6(5) ?
C77 C76 C75 . . 121.3(5) ?
C78 C77 C76 . . 121.0(5) ?
C78 C77 H77 . . 119.5 ?
C76 C77 H77 . . 119.5 ?
C79 C78 C77 . . 119.6(5) ?
C79 C78 H78 . . 120.2 ?
C77 C78 H78 . . 120.2 ?
C78 C79 C80 . . 121.2(5) ?
C78 C79 H79 . . 119.4 ?
C80 C79 H79 . . 119.4 ?
C79 C80 C81 . . 118.9(6) ?
C79 C80 H80 . . 120.6 ?
C81 C80 H80 . . 120.6 ?
C80 C81 C76 . . 122.2(5) ?
C80 C81 H81 . . 118.9 ?
C76 C81 H81 . . 118.9 ?
O6 C82 O5 . . 123.2(5) ?
O6 C82 C83 . . 120.5(5) ?
O5 C82 C83 . . 116.3(4) ?
C84 C83 C82 . . 122.2(5) ?
C84 C83 H83 . . 118.9 ?
C82 C83 H83 . . 118.9 ?
C83 C84 C85 . . 128.7(5) ?
C83 C84 H84 . . 115.6 ?
C85 C84 H84 . . 115.6 ?
C86 C85 C90 . . 117.9(5) ?
C86 C85 C84 . . 118.0(5) ?
C90 C85 C84 . . 124.0(5) ?
C87 C86 C85 . . 121.9(5) ?
C87 C86 H86 . . 119.0 ?
C85 C86 H86 . . 119.0 ?
C86 C87 C88 . . 119.2(5) ?
C86 C87 H87 . . 120.4 ?
C88 C87 H87 . . 120.4 ?
C87 C88 C89 . . 120.3(5) ?
C87 C88 H88 . . 119.8 ?
C89 C88 H88 . . 119.8 ?
C90 C89 C88 . . 120.2(5) ?
C90 C89 H89 . . 119.9 ?
C88 C89 H89 . . 119.9 ?
C89 C90 C85 . . 120.4(5) ?
C89 C90 H90 . . 119.8 ?
C85 C90 H90 . . 119.8 ?
C92 C91 Sn4 . . 111.6(3) ?
C92 C91 H91A . . 109.3 ?
Sn4 C91 H91A . . 109.3 ?
C92 C91 H91B . . 109.3 ?
Sn4 C91 H91B . . 109.3 ?
H91A C91 H91B . . 108.0 ?
C93 C92 C97 . . 117.7(5) ?
C93 C92 C91 . . 120.8(5) ?
C97 C92 C91 . . 121.4(5) ?
C92 C93 C94 . . 122.2(6) ?
C92 C93 H93 . . 118.9 ?
C94 C93 H93 . . 118.9 ?
C93 C94 C95 . . 120.0(5) ?
C93 C94 H94 . . 120.0 ?
C95 C94 H94 . . 120.0 ?
C94 C95 C96 . . 119.7(5) ?
C94 C95 H95 . . 120.1 ?
C96 C95 H95 . . 120.1 ?
C95 C96 C97 . . 119.6(5) ?
C95 C96 H96 . . 120.2 ?
C97 C96 H96 . . 120.2 ?
C96 C97 C92 . . 120.8(5) ?
C96 C97 H97 . . 119.6 ?
C92 C97 H97 . . 119.6 ?
C99 C98 Sn4 . . 113.4(3) ?
C99 C98 H98A . . 108.9 ?
Sn4 C98 H98A . . 108.9 ?
C99 C98 H98B . . 108.9 ?
Sn4 C98 H98B . . 108.9 ?
H98A C98 H98B . . 107.7 ?
C104 C99 C100 . . 118.2(5) ?
C104 C99 C98 . . 120.2(5) ?
C100 C99 C98 . . 121.6(5) ?
C101 C100 C99 . . 119.6(6) ?
C101 C100 H100 . . 120.2 ?
C99 C100 H100 . . 120.2 ?
C102 C101 C100 . . 121.5(6) ?
C102 C101 H101 . . 119.3 ?
C100 C101 H101 . . 119.3 ?
C103 C102 C101 . . 119.0(6) ?
C103 C102 H102 . . 120.5 ?
C101 C102 H102 . . 120.5 ?
C102 C103 C104 . . 120.9(6) ?
C102 C103 H103 . . 119.5 ?
C104 C103 H103 . . 119.5 ?
C99 C104 C103 . . 120.7(5) ?
C99 C104 H104 . . 119.7 ?
C103 C104 H104 . . 119.7 ?
C106 C105 Sn4 . . 118.8(3) ?
C106 C105 H10A . . 107.6 ?
Sn4 C105 H10A . . 107.6 ?
C106 C105 H10B . . 107.6 ?
Sn4 C105 H10B . . 107.6 ?
H10A C105 H10B . . 107.1 ?
C111 C106 C107 . . 117.1(5) ?
C111 C106 C105 . . 121.5(5) ?
C107 C106 C105 . . 121.4(5) ?
C108 C107 C106 . . 122.0(5) ?
C108 C107 H107 . . 119.0 ?
C106 C107 H107 . . 119.0 ?
C107 C108 C109 . . 118.9(5) ?
C107 C108 H108 . . 120.5 ?
C109 C108 H108 . . 120.5 ?
C110 C109 C108 . . 120.4(5) ?
C110 C109 H109 . . 119.8 ?
C108 C109 H109 . . 119.8 ?
C109 C110 C111 . . 119.9(6) ?
C109 C110 H110 . . 120.1 ?
C111 C110 H110 . . 120.1 ?
C110 C111 C106 . . 121.8(6) ?
C110 C111 H111 . . 119.1 ?
C106 C111 H111 . . 119.1 ?
O8 C112 O7 . . 122.3(4) ?
O8 C112 C113 . . 121.3(5) ?
O7 C112 C113 . . 116.4(4) ?
C114 C113 C112 . . 122.5(5) ?
C114 C113 H113 . . 118.8 ?
C112 C113 H113 . . 118.8 ?
C113 C114 C115 . . 127.6(5) ?
C113 C114 H114 . . 116.2 ?
C115 C114 H114 . . 116.2 ?
C116 C115 C120 . . 117.8(5) ?
C116 C115 C114 . . 120.2(5) ?
C120 C115 C114 . . 122.0(5) ?
C115 C116 C117 . . 121.2(5) ?
C115 C116 H116 . . 119.4 ?
C117 C116 H116 . . 119.4 ?
C118 C117 C116 . . 120.1(5) ?
C118 C117 H117 . . 120.0 ?
C116 C117 H117 . . 120.0 ?
C117 C118 C119 . . 120.0(5) ?
C117 C118 H118 . . 120.0 ?
C119 C118 H118 . . 120.0 ?
C118 C119 C120 . . 119.7(5) ?
C118 C119 H119 . . 120.1 ?
C120 C119 H119 . . 120.1 ?
C115 C120 C119 . . 121.2(5) ?
C115 C120 H120 . . 119.4 ?
C119 C120 H120 . . 119.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 C8 . 2.139(5) ?
Sn1 C1 . 2.145(6) ?
Sn1 C15 . 2.154(5) ?
Sn1 O1 . 2.165(3) yes
Sn1 O2 2_645 2.352(4) yes
Sn2 C45 . 2.142(5) ?
Sn2 C38 . 2.153(5) ?
Sn2 C31 . 2.153(5) ?
Sn2 O3 . 2.177(3) yes
Sn2 O4 2_646 2.338(3) yes
Sn3 C68 . 2.143(5) ?
Sn3 O5 . 2.153(3) yes
Sn3 C75 . 2.154(5) ?
Sn3 C61 . 2.154(5) ?
Sn3 O6 2_556 2.403(4) yes
Sn4 C105 . 2.149(5) ?
Sn4 C98 . 2.151(6) ?
Sn4 C91 . 2.159(5) ?
Sn4 O7 . 2.174(3) yes
Sn4 O8 2_557 2.352(4) yes
O1 C22 . 1.271(6) ?
O2 C22 . 1.273(6) ?
O2 Sn1 2_655 2.352(4) ?
O3 C52 . 1.272(6) ?
O4 C52 . 1.254(6) ?
O4 Sn2 2_656 2.338(3) ?
O5 C82 . 1.283(6) ?
O6 C82 . 1.240(6) ?
O6 Sn3 2_546 2.403(4) ?
O7 C112 . 1.274(6) ?
O8 C112 . 1.250(6) ?
O8 Sn4 2_547 2.352(4) ?
C1 C2 . 1.509(8) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C2 C7 . 1.381(8) ?
C2 C3 . 1.404(9) ?
C3 C4 . 1.385(11) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.369(10) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.340(9) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.386(8) ?
C6 H6 . 0.9500 ?
C7 H7 . 0.9500 ?
C8 C9 . 1.497(8) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C14 . 1.383(8) ?
C9 C10 . 1.398(8) ?
C10 C11 . 1.369(9) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.382(10) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.398(10) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.375(9) ?
C13 H13 . 0.9500 ?
C14 H14 . 0.9500 ?
C15 C16 . 1.511(7) ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
C16 C21 . 1.378(8) ?
C16 C17 . 1.391(7) ?
C17 C18 . 1.374(7) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.360(8) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.371(8) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.393(8) ?
C20 H20 . 0.9500 ?
C21 H21 . 0.9500 ?
C22 C23 . 1.462(7) ?
C23 C24 . 1.338(7) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.468(7) ?
C24 H24 . 0.9500 ?
C25 C30 . 1.388(7) ?
C25 C26 . 1.401(7) ?
C26 C27 . 1.376(7) ?
C26 H26 . 0.9500 ?
C27 C28 . 1.375(7) ?
C27 H27 . 0.9500 ?
C28 C29 . 1.371(7) ?
C28 H28 . 0.9500 ?
C29 C30 . 1.376(7) ?
C29 H29 . 0.9500 ?
C30 H30 . 0.9500 ?
C31 C32 . 1.495(7) ?
C31 H31A . 0.9900 ?
C31 H31B . 0.9900 ?
C32 C37 . 1.385(7) ?
C32 C33 . 1.400(7) ?
C33 C34 . 1.369(8) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.385(9) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.384(8) ?
C35 H35 . 0.9500 ?
C36 C37 . 1.383(7) ?
C36 H36 . 0.9500 ?
C37 H37 . 0.9500 ?
C38 C39 . 1.491(7) ?
C38 H38A . 0.9900 ?
C38 H38B . 0.9900 ?
C39 C44 . 1.385(7) ?
C39 C40 . 1.387(7) ?
C40 C41 . 1.385(7) ?
C40 H40 . 0.9500 ?
C41 C42 . 1.371(8) ?
C41 H41 . 0.9500 ?
C42 C43 . 1.368(8) ?
C42 H42 . 0.9500 ?
C43 C44 . 1.388(7) ?
C43 H43 . 0.9500 ?
C44 H44 . 0.9500 ?
C45 C46 . 1.507(7) ?
C45 H45A . 0.9900 ?
C45 H45B . 0.9900 ?
C46 C51 . 1.391(7) ?
C46 C47 . 1.397(7) ?
C47 C48 . 1.379(7) ?
C47 H47 . 0.9500 ?
C48 C49 . 1.373(8) ?
C48 H48 . 0.9500 ?
C49 C50 . 1.377(8) ?
C49 H49 . 0.9500 ?
C50 C51 . 1.381(7) ?
C50 H50 . 0.9500 ?
C51 H51 . 0.9500 ?
C52 C53 . 1.480(7) ?
C53 C54 . 1.314(7) ?
C53 H53 . 0.9500 ?
C54 C55 . 1.469(7) ?
C54 H54 . 0.9500 ?
C55 C60 . 1.387(8) ?
C55 C56 . 1.397(7) ?
C56 C57 . 1.404(8) ?
C56 H56 . 0.9500 ?
C57 C58 . 1.359(9) ?
C57 H57 . 0.9500 ?
C58 C59 . 1.375(9) ?
C58 H58 . 0.9500 ?
C59 C60 . 1.384(8) ?
C59 H59 . 0.9500 ?
C60 H60 . 0.9500 ?
C61 C62 . 1.498(7) ?
C61 H61A . 0.9900 ?
C61 H61B . 0.9900 ?
C62 C67 . 1.375(7) ?
C62 C63 . 1.396(7) ?
C63 C64 . 1.376(7) ?
C63 H63 . 0.9500 ?
C64 C65 . 1.373(8) ?
C64 H64 . 0.9500 ?
C65 C66 . 1.388(8) ?
C65 H65 . 0.9500 ?
C66 C67 . 1.376(7) ?
C66 H66 . 0.9500 ?
C67 H67 . 0.9500 ?
C68 C69 . 1.512(7) ?
C68 H68A . 0.9900 ?
C68 H68B . 0.9900 ?
C69 C74 . 1.386(8) ?
C69 C70 . 1.390(7) ?
C70 C71 . 1.380(8) ?
C70 H70 . 0.9500 ?
C71 C72 . 1.375(8) ?
C71 H71 . 0.9500 ?
C72 C73 . 1.380(8) ?
C72 H72 . 0.9500 ?
C73 C74 . 1.400(7) ?
C73 H73 . 0.9500 ?
C74 H74 . 0.9500 ?
C75 C76 . 1.502(7) ?
C75 H75A . 0.9900 ?
C75 H75B . 0.9900 ?
C76 C81 . 1.396(8) ?
C76 C77 . 1.400(7) ?
C77 C78 . 1.399(7) ?
C77 H77 . 0.9500 ?
C78 C79 . 1.367(8) ?
C78 H78 . 0.9500 ?
C79 C80 . 1.380(8) ?
C79 H79 . 0.9500 ?
C80 C81 . 1.383(7) ?
C80 H80 . 0.9500 ?
C81 H81 . 0.9500 ?
C82 C83 . 1.483(7) ?
C83 C84 . 1.344(7) ?
C83 H83 . 0.9500 ?
C84 C85 . 1.454(7) ?
C84 H84 . 0.9500 ?
C85 C86 . 1.392(7) ?
C85 C90 . 1.417(7) ?
C86 C87 . 1.383(7) ?
C86 H86 . 0.9500 ?
C87 C88 . 1.383(8) ?
C87 H87 . 0.9500 ?
C88 C89 . 1.399(8) ?
C88 H88 . 0.9500 ?
C89 C90 . 1.374(7) ?
C89 H89 . 0.9500 ?
C90 H90 . 0.9500 ?
C91 C92 . 1.483(7) ?
C91 H91A . 0.9900 ?
C91 H91B . 0.9900 ?
C92 C93 . 1.369(7) ?
C92 C97 . 1.399(7) ?
C93 C94 . 1.374(8) ?
C93 H93 . 0.9500 ?
C94 C95 . 1.376(8) ?
C94 H94 . 0.9500 ?
C95 C96 . 1.382(7) ?
C95 H95 . 0.9500 ?
C96 C97 . 1.392(8) ?
C96 H96 . 0.9500 ?
C97 H97 . 0.9500 ?
C98 C99 . 1.505(8) ?
C98 H98A . 0.9900 ?
C98 H98B . 0.9900 ?
C99 C104 . 1.388(8) ?
C99 C100 . 1.396(7) ?
C100 C101 . 1.391(9) ?
C100 H100 . 0.9500 ?
C101 C102 . 1.371(9) ?
C101 H101 . 0.9500 ?
C102 C103 . 1.361(9) ?
C102 H102 . 0.9500 ?
C103 C104 . 1.391(8) ?
C103 H103 . 0.9500 ?
C104 H104 . 0.9500 ?
C105 C106 . 1.506(7) ?
C105 H10A . 0.9900 ?
C105 H10B . 0.9900 ?
C106 C111 . 1.392(7) ?
C106 C107 . 1.393(7) ?
C107 C108 . 1.387(7) ?
C107 H107 . 0.9500 ?
C108 C109 . 1.388(8) ?
C108 H108 . 0.9500 ?
C109 C110 . 1.372(9) ?
C109 H109 . 0.9500 ?
C110 C111 . 1.380(7) ?
C110 H110 . 0.9500 ?
C111 H111 . 0.9500 ?
C112 C113 . 1.475(7) ?
C113 C114 . 1.327(7) ?
C113 H113 . 0.9500 ?
C114 C115 . 1.465(7) ?
C114 H114 . 0.9500 ?
C115 C116 . 1.388(7) ?
C115 C120 . 1.391(8) ?
C116 C117 . 1.391(7) ?
C116 H116 . 0.9500 ?
C117 C118 . 1.375(8) ?
C117 H117 . 0.9500 ?
C118 C119 . 1.378(8) ?
C118 H118 . 0.9500 ?
C119 C120 . 1.394(8) ?
C119 H119 . 0.9500 ?
C120 H120 . 0.9500 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C8 Sn1 O1 C22 . . . . -57.0(4) ?
C1 Sn1 O1 C22 . . . . 64.3(4) ?
C15 Sn1 O1 C22 . . . . -175.6(4) ?
C45 Sn2 O3 C52 . . . . -60.5(4) ?
C38 Sn2 O3 C52 . . . . 60.6(4) ?
C31 Sn2 O3 C52 . . . . -179.3(4) ?
C68 Sn3 O5 C82 . . . . 56.0(4) ?
C75 Sn3 O5 C82 . . . . -66.3(4) ?
C61 Sn3 O5 C82 . . . . 176.1(4) ?
O6 Sn3 O5 C82 2_556 . . . 167.8(6) ?
C105 Sn4 O7 C112 . . . . 177.4(4) ?
C98 Sn4 O7 C112 . . . . 57.7(4) ?
C91 Sn4 O7 C112 . . . . -63.4(4) ?
C8 Sn1 C1 C2 . . . . -141.8(4) ?
C15 Sn1 C1 C2 . . . . 26.3(5) ?
O1 Sn1 C1 C2 . . . . 119.9(4) ?
O2 Sn1 C1 C2 2_645 . . . -52.8(4) ?
Sn1 C1 C2 C7 . . . . 110.4(5) ?
Sn1 C1 C2 C3 . . . . -67.2(6) ?
C7 C2 C3 C4 . . . . -1.3(9) ?
C1 C2 C3 C4 . . . . 176.4(6) ?
C2 C3 C4 C5 . . . . 2.6(11) ?
C3 C4 C5 C6 . . . . -1.1(11) ?
C4 C5 C6 C7 . . . . -1.7(10) ?
C3 C2 C7 C6 . . . . -1.5(9) ?
C1 C2 C7 C6 . . . . -179.2(5) ?
C5 C6 C7 C2 . . . . 3.1(10) ?
C1 Sn1 C8 C9 . . . . 147.6(4) ?
C15 Sn1 C8 C9 . . . . -20.7(5) ?
O1 Sn1 C8 C9 . . . . -114.4(4) ?
O2 Sn1 C8 C9 2_645 . . . 57.6(4) ?
Sn1 C8 C9 C14 . . . . -112.0(5) ?
Sn1 C8 C9 C10 . . . . 69.1(6) ?
C14 C9 C10 C11 . . . . -0.1(9) ?
C8 C9 C10 C11 . . . . 178.8(5) ?
C9 C10 C11 C12 . . . . -0.5(9) ?
C10 C11 C12 C13 . . . . 0.9(10) ?
C11 C12 C13 C14 . . . . -0.5(11) ?
C12 C13 C14 C9 . . . . -0.2(11) ?
C10 C9 C14 C13 . . . . 0.5(10) ?
C8 C9 C14 C13 . . . . -178.4(6) ?
C8 Sn1 C15 C16 . . . . -112.9(4) ?
C1 Sn1 C15 C16 . . . . 78.8(5) ?
O1 Sn1 C15 C16 . . . . -16.8(4) ?
O2 Sn1 C15 C16 2_645 . . . 163.8(5) ?
Sn1 C15 C16 C21 . . . . -103.6(5) ?
Sn1 C15 C16 C17 . . . . 76.8(6) ?
C21 C16 C17 C18 . . . . -0.8(8) ?
C15 C16 C17 C18 . . . . 178.8(5) ?
C16 C17 C18 C19 . . . . 2.0(8) ?
C17 C18 C19 C20 . . . . -2.2(8) ?
C18 C19 C20 C21 . . . . 1.4(9) ?
C17 C16 C21 C20 . . . . 0.0(8) ?
C15 C16 C21 C20 . . . . -179.6(5) ?
C19 C20 C21 C16 . . . . -0.3(9) ?
Sn1 O2 C22 O1 2_655 . . . -177.8(4) ?
Sn1 O2 C22 C23 2_655 . . . 1.7(9) ?
Sn1 O1 C22 O2 . . . . -2.3(7) ?
Sn1 O1 C22 C23 . . . . 178.2(4) ?
O2 C22 C23 C24 . . . . -177.4(5) ?
O1 C22 C23 C24 . . . . 2.1(8) ?
C22 C23 C24 C25 . . . . 178.9(5) ?
C23 C24 C25 C30 . . . . 8.2(9) ?
C23 C24 C25 C26 . . . . -171.8(5) ?
C30 C25 C26 C27 . . . . 0.8(9) ?
C24 C25 C26 C27 . . . . -179.2(5) ?
C25 C26 C27 C28 . . . . 0.0(9) ?
C26 C27 C28 C29 . . . . -0.9(9) ?
C27 C28 C29 C30 . . . . 0.9(9) ?
C28 C29 C30 C25 . . . . 0.0(9) ?
C26 C25 C30 C29 . . . . -0.8(9) ?
C24 C25 C30 C29 . . . . 179.2(5) ?
C45 Sn2 C31 C32 . . . . -103.1(4) ?
C38 Sn2 C31 C32 . . . . 90.1(5) ?
O3 Sn2 C31 C32 . . . . -6.3(4) ?
O4 Sn2 C31 C32 2_646 . . . 173.8(4) ?
Sn2 C31 C32 C37 . . . . -90.5(5) ?
Sn2 C31 C32 C33 . . . . 87.8(6) ?
C37 C32 C33 C34 . . . . 1.6(8) ?
C31 C32 C33 C34 . . . . -176.8(5) ?
C32 C33 C34 C35 . . . . -1.6(9) ?
C33 C34 C35 C36 . . . . 0.3(9) ?
C34 C35 C36 C37 . . . . 1.0(8) ?
C35 C36 C37 C32 . . . . -1.0(8) ?
C33 C32 C37 C36 . . . . -0.3(7) ?
C31 C32 C37 C36 . . . . 178.1(5) ?
C45 Sn2 C38 C39 . . . . -137.4(4) ?
C31 Sn2 C38 C39 . . . . 29.1(5) ?
O3 Sn2 C38 C39 . . . . 122.7(4) ?
O4 Sn2 C38 C39 2_646 . . . -48.3(4) ?
Sn2 C38 C39 C44 . . . . 110.5(5) ?
Sn2 C38 C39 C40 . . . . -69.8(6) ?
C44 C39 C40 C41 . . . . -2.0(7) ?
C38 C39 C40 C41 . . . . 178.3(5) ?
C39 C40 C41 C42 . . . . 1.6(8) ?
C40 C41 C42 C43 . . . . -0.3(8) ?
C41 C42 C43 C44 . . . . -0.4(8) ?
C40 C39 C44 C43 . . . . 1.2(7) ?
C38 C39 C44 C43 . . . . -179.1(5) ?
C42 C43 C44 C39 . . . . -0.1(8) ?
C38 Sn2 C45 C46 . . . . 153.9(3) ?
C31 Sn2 C45 C46 . . . . -12.8(4) ?
O3 Sn2 C45 C46 . . . . -106.6(4) ?
O4 Sn2 C45 C46 2_646 . . . 64.4(4) ?
Sn2 C45 C46 C51 . . . . -109.2(5) ?
Sn2 C45 C46 C47 . . . . 73.5(5) ?
C51 C46 C47 C48 . . . . -0.3(8) ?
C45 C46 C47 C48 . . . . 177.1(5) ?
C46 C47 C48 C49 . . . . -0.9(9) ?
C47 C48 C49 C50 . . . . 1.9(9) ?
C48 C49 C50 C51 . . . . -1.7(9) ?
C49 C50 C51 C46 . . . . 0.5(9) ?
C47 C46 C51 C50 . . . . 0.5(8) ?
C45 C46 C51 C50 . . . . -176.9(5) ?
Sn2 O4 C52 O3 2_656 . . . -180.0(3) ?
Sn2 O4 C52 C53 2_656 . . . 0.3(8) ?
Sn2 O3 C52 O4 . . . . 2.2(6) ?
Sn2 O3 C52 C53 . . . . -178.1(3) ?
O4 C52 C53 C54 . . . . -170.9(5) ?
O3 C52 C53 C54 . . . . 9.3(7) ?
C52 C53 C54 C55 . . . . 179.2(5) ?
C53 C54 C55 C60 . . . . -169.4(5) ?
C53 C54 C55 C56 . . . . 10.3(9) ?
C60 C55 C56 C57 . . . . 0.4(8) ?
C54 C55 C56 C57 . . . . -179.2(5) ?
C55 C56 C57 C58 . . . . -0.1(8) ?
C56 C57 C58 C59 . . . . 0.5(9) ?
C57 C58 C59 C60 . . . . -1.3(9) ?
C58 C59 C60 C55 . . . . 1.6(9) ?
C56 C55 C60 C59 . . . . -1.2(8) ?
C54 C55 C60 C59 . . . . 178.5(5) ?
C68 Sn3 C61 C62 . . . . 92.7(5) ?
O5 Sn3 C61 C62 . . . . -7.0(4) ?
C75 Sn3 C61 C62 . . . . -107.0(4) ?
O6 Sn3 C61 C62 2_556 . . . 171.3(5) ?
Sn3 C61 C62 C67 . . . . -103.0(5) ?
Sn3 C61 C62 C63 . . . . 77.6(6) ?
C67 C62 C63 C64 . . . . -0.2(8) ?
C61 C62 C63 C64 . . . . 179.2(5) ?
C62 C63 C64 C65 . . . . 0.7(8) ?
C63 C64 C65 C66 . . . . -1.6(8) ?
C64 C65 C66 C67 . . . . 2.0(9) ?
C63 C62 C67 C66 . . . . 0.5(8) ?
C61 C62 C67 C66 . . . . -178.8(5) ?
C65 C66 C67 C62 . . . . -1.5(9) ?
O5 Sn3 C68 C69 . . . . 104.2(4) ?
C75 Sn3 C68 C69 . . . . -151.7(3) ?
C61 Sn3 C68 C69 . . . . 7.9(4) ?
O6 Sn3 C68 C69 2_556 . . . -64.9(4) ?
Sn3 C68 C69 C74 . . . . 115.9(5) ?
Sn3 C68 C69 C70 . . . . -66.9(5) ?
C74 C69 C70 C71 . . . . 1.5(8) ?
C68 C69 C70 C71 . . . . -175.8(5) ?
C69 C70 C71 C72 . . . . -1.2(9) ?
C70 C71 C72 C73 . . . . 0.5(9) ?
C71 C72 C73 C74 . . . . -0.1(9) ?
C70 C69 C74 C73 . . . . -1.1(8) ?
C68 C69 C74 C73 . . . . 176.1(5) ?
C72 C73 C74 C69 . . . . 0.5(9) ?
C68 Sn3 C75 C76 . . . . 139.7(4) ?
O5 Sn3 C75 C76 . . . . -116.5(4) ?
C61 Sn3 C75 C76 . . . . -20.4(5) ?
O6 Sn3 C75 C76 2_556 . . . 54.1(4) ?
Sn3 C75 C76 C81 . . . . 69.9(6) ?
Sn3 C75 C76 C77 . . . . -108.4(5) ?
C81 C76 C77 C78 . . . . -0.8(7) ?
C75 C76 C77 C78 . . . . 177.6(5) ?
C76 C77 C78 C79 . . . . -1.0(8) ?
C77 C78 C79 C80 . . . . 2.6(8) ?
C78 C79 C80 C81 . . . . -2.4(8) ?
C79 C80 C81 C76 . . . . 0.5(8) ?
C77 C76 C81 C80 . . . . 1.1(8) ?
C75 C76 C81 C80 . . . . -177.3(5) ?
Sn3 O6 C82 O5 2_546 . . . 176.3(4) ?
Sn3 O6 C82 C83 2_546 . . . -2.7(10) ?
Sn3 O5 C82 O6 . . . . 2.5(7) ?
Sn3 O5 C82 C83 . . . . -178.5(3) ?
O6 C82 C83 C84 . . . . 179.6(5) ?
O5 C82 C83 C84 . . . . 0.6(8) ?
C82 C83 C84 C85 . . . . -179.7(5) ?
C83 C84 C85 C86 . . . . 166.8(5) ?
C83 C84 C85 C90 . . . . -11.2(9) ?
C90 C85 C86 C87 . . . . 1.2(8) ?
C84 C85 C86 C87 . . . . -176.9(5) ?
C85 C86 C87 C88 . . . . -1.8(8) ?
C86 C87 C88 C89 . . . . 0.3(8) ?
C87 C88 C89 C90 . . . . 1.7(8) ?
C88 C89 C90 C85 . . . . -2.3(8) ?
C86 C85 C90 C89 . . . . 0.8(8) ?
C84 C85 C90 C89 . . . . 178.8(5) ?
C105 Sn4 C91 C92 . . . . -13.6(4) ?
C98 Sn4 C91 C92 . . . . 152.7(3) ?
O7 Sn4 C91 C92 . . . . -106.8(4) ?
O8 Sn4 C91 C92 2_557 . . . 63.6(4) ?
Sn4 C91 C92 C93 . . . . 68.4(6) ?
Sn4 C91 C92 C97 . . . . -109.9(5) ?
C97 C92 C93 C94 . . . . 0.7(9) ?
C91 C92 C93 C94 . . . . -177.6(6) ?
C92 C93 C94 C95 . . . . 0.5(10) ?
C93 C94 C95 C96 . . . . -1.6(10) ?
C94 C95 C96 C97 . . . . 1.5(9) ?
C95 C96 C97 C92 . . . . -0.4(9) ?
C93 C92 C97 C96 . . . . -0.7(8) ?
C91 C92 C97 C96 . . . . 177.6(5) ?
C105 Sn4 C98 C99 . . . . 23.6(5) ?
C91 Sn4 C98 C99 . . . . -142.7(4) ?
O7 Sn4 C98 C99 . . . . 117.3(4) ?
O8 Sn4 C98 C99 2_557 . . . -53.7(4) ?
Sn4 C98 C99 C104 . . . . -69.2(6) ?
Sn4 C98 C99 C100 . . . . 110.2(5) ?
C104 C99 C100 C101 . . . . -0.4(8) ?
C98 C99 C100 C101 . . . . -179.9(5) ?
C99 C100 C101 C102 . . . . 2.1(10) ?
C100 C101 C102 C103 . . . . -3.1(10) ?
C101 C102 C103 C104 . . . . 2.5(9) ?
C100 C99 C104 C103 . . . . -0.1(8) ?
C98 C99 C104 C103 . . . . 179.3(5) ?
C102 C103 C104 C99 . . . . -0.9(9) ?
C98 Sn4 C105 C106 . . . . 103.1(4) ?
C91 Sn4 C105 C106 . . . . -90.5(4) ?
O7 Sn4 C105 C106 . . . . 5.9(4) ?
O8 Sn4 C105 C106 2_557 . . . -173.6(4) ?
Sn4 C105 C106 C111 . . . . 101.6(5) ?
Sn4 C105 C106 C107 . . . . -78.2(6) ?
C111 C106 C107 C108 . . . . 0.2(7) ?
C105 C106 C107 C108 . . . . -179.9(5) ?
C106 C107 C108 C109 . . . . -1.0(8) ?
C107 C108 C109 C110 . . . . 0.8(8) ?
C108 C109 C110 C111 . . . . 0.2(9) ?
C109 C110 C111 C106 . . . . -1.0(8) ?
C107 C106 C111 C110 . . . . 0.8(8) ?
C105 C106 C111 C110 . . . . -179.1(5) ?
Sn4 O8 C112 O7 2_547 . . . 178.0(3) ?
Sn4 O8 C112 C113 2_547 . . . -2.8(8) ?
Sn4 O7 C112 O8 . . . . 2.1(7) ?
Sn4 O7 C112 C113 . . . . -177.1(3) ?
O8 C112 C113 C114 . . . . -178.3(5) ?
O7 C112 C113 C114 . . . . 0.9(8) ?
C112 C113 C114 C115 . . . . 177.3(5) ?
C113 C114 C115 C116 . . . . -171.6(6) ?
C113 C114 C115 C120 . . . . 6.2(9) ?
C120 C115 C116 C117 . . . . -1.3(9) ?
C114 C115 C116 C117 . . . . 176.7(5) ?
C115 C116 C117 C118 . . . . 1.0(9) ?
C116 C117 C118 C119 . . . . -0.5(9) ?
C117 C118 C119 C120 . . . . 0.2(10) ?
C116 C115 C120 C119 . . . . 1.0(10) ?
C114 C115 C120 C119 . . . . -176.9(6) ?
C118 C119 C120 C115 . . . . -0.5(10) ?
