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#$Date: 2022-04-06 12:07:40 +0300 (Wed, 06 Apr 2022) $
#$Revision: 274386 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/50/8105051.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_8105051
loop_
_publ_author_name
'Lo, Kong Mun'
'Lee, See Mun'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of iodido-triphenyl-(triphenylphosphine oxide)tin(IV),
 C36H30IOPSn
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              179
_journal_page_last               181
_journal_paper_doi               10.1515/ncrs-2019-0563
_journal_volume                  235
_journal_year                    2019
_chemical_formula_moiety         'C36 H30 I O P Sn'
_chemical_formula_sum            'C36 H30 I O P Sn'
_chemical_formula_weight         755.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 114.3790(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7251(6)
_cell_length_b                   17.3609(11)
_cell_length_c                   10.0542(6)
_cell_measurement_reflns_used    9512
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      2.35
_cell_measurement_theta_min      28.25
_cell_volume                     1546.16(17)
_computing_cell_refinement       'SAINT [1]'
_computing_data_collection       'APEX2 [1]'
_computing_data_reduction        'SAINT [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 [3]'
_computing_structure_solution    'SHELXT 2014/5 [2]'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       'ω scans'
_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  0.0145
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19627
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.265
_diffrn_reflns_theta_min         2.224
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.903
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS [1]'
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details
;
 Flack x determined using 3633 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.007(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         7642
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0113
_refine_ls_R_factor_gt           0.0113
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0145P)²+0.0355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0301
_refine_ls_wR_factor_ref         0.0301
_reflns_Friedel_coverage         0.933
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                7603
_reflns_number_total             7642
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0563_suppl.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8105051
_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   0.648
_shelx_estimated_absorpt_t_max   0.818
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I -0.18870(2) 0.38832(2) 0.05116(2) 0.01789(4) Uani 1 1 d . . . . .
Sn Sn 0.06869(2) 0.46646(2) 0.26278(2) 0.01190(3) Uani 1 1 d . . . . .
P1 P 0.41973(6) 0.52683(3) 0.57287(5) 0.01174(9) Uani 1 1 d . . . . .
O1 O 0.28159(17) 0.53146(8) 0.43105(15) 0.0159(3) Uani 1 1 d . . . . .
C1 C -0.0002(2) 0.57881(11) 0.1729(2) 0.0134(4) Uani 1 1 d . . . . .
C2 C 0.1057(2) 0.63274(12) 0.1717(2) 0.0172(4) Uani 1 1 d . . . . .
H2 H 0.207877 0.620464 0.213908 0.021 Uiso 1 1 calc R U . . .
C3 C 0.0596(3) 0.70497(12) 0.1077(2) 0.0189(4) Uani 1 1 d . . . . .
H3 H 0.130991 0.739977 0.105447 0.023 Uiso 1 1 calc R U . . .
C4 C -0.0915(3) 0.72471(12) 0.0477(2) 0.0184(4) Uani 1 1 d . . . . .
H4 H -0.121905 0.772898 0.005251 0.022 Uiso 1 1 calc R U . . .
C5 C -0.1982(2) 0.67209(13) 0.0510(2) 0.0188(4) Uani 1 1 d . . . . .
H5 H -0.299745 0.685555 0.013131 0.023 Uiso 1 1 calc R U . . .
C6 C -0.1525(2) 0.59922(12) 0.1113(2) 0.0157(4) Uani 1 1 d . . . . .
H6 H -0.224476 0.563736 0.110407 0.019 Uiso 1 1 calc R U . . .
C7 C 0.2293(2) 0.40758(11) 0.2079(2) 0.0137(4) Uani 1 1 d . . . . .
C8 C 0.2589(3) 0.43316(12) 0.0904(2) 0.0201(4) Uani 1 1 d . . . . .
H8 H 0.205208 0.474620 0.034470 0.024 Uiso 1 1 calc R U . . .
C9 C 0.3677(3) 0.39717(14) 0.0569(3) 0.0263(5) Uani 1 1 d . . . . .
H9 H 0.386785 0.414805 -0.021231 0.032 Uiso 1 1 calc R U . . .
C10 C 0.4484(3) 0.33520(13) 0.1386(3) 0.0239(5) Uani 1 1 d . . . . .
H10 H 0.522026 0.311647 0.116083 0.029 Uiso 1 1 calc R U . . .
C11 C 0.4189(2) 0.30838(13) 0.2541(2) 0.0207(4) Uani 1 1 d . . . . .
H11 H 0.472112 0.266432 0.308709 0.025 Uiso 1 1 calc R U . . .
C12 C 0.3097(2) 0.34435(12) 0.2881(2) 0.0169(4) Uani 1 1 d . . . . .
H12 H 0.289962 0.325986 0.365368 0.020 Uiso 1 1 calc R U . . .
C13 C 0.0288(2) 0.43000(12) 0.4461(2) 0.0145(4) Uani 1 1 d . . . . .
C14 C 0.0249(2) 0.48489(12) 0.5459(2) 0.0171(4) Uani 1 1 d . . . . .
H14 H 0.035243 0.536809 0.529250 0.021 Uiso 1 1 calc R U . . .
C15 C 0.0055(2) 0.46269(15) 0.6704(2) 0.0210(4) Uani 1 1 d . . . . .
H15 H 0.001474 0.499811 0.735392 0.025 Uiso 1 1 calc R U . . .
C16 C -0.0077(2) 0.38541(15) 0.6973(2) 0.0223(4) Uani 1 1 d . . . . .
H16 H -0.018538 0.370565 0.781366 0.027 Uiso 1 1 calc R U . . .
C17 C -0.0049(3) 0.32990(13) 0.5983(2) 0.0216(4) Uani 1 1 d . . . . .
H17 H -0.014614 0.278016 0.615726 0.026 Uiso 1 1 calc R U . . .
C18 C 0.0126(3) 0.35237(12) 0.4730(2) 0.0191(4) Uani 1 1 d . . . . .
H18 H 0.013509 0.315252 0.406657 0.023 Uiso 1 1 calc R U . . .
C19 C 0.3874(2) 0.57723(11) 0.7135(2) 0.0139(4) Uani 1 1 d . . . . .
C20 C 0.4537(2) 0.55538(12) 0.8599(2) 0.0172(4) Uani 1 1 d . . . . .
H20 H 0.518933 0.513437 0.888888 0.021 Uiso 1 1 calc R U . . .
C21 C 0.4219(3) 0.59649(14) 0.9625(2) 0.0232(5) Uani 1 1 d . . . . .
H21 H 0.463779 0.581182 1.059846 0.028 Uiso 1 1 calc R U . . .
C22 C 0.3271(3) 0.66081(14) 0.9197(3) 0.0258(5) Uani 1 1 d . . . . .
H22 H 0.307009 0.688628 0.988693 0.031 Uiso 1 1 calc R U . . .
C23 C 0.2636(3) 0.68299(13) 0.7753(3) 0.0250(5) Uani 1 1 d . . . . .
H23 H 0.200758 0.725860 0.747214 0.030 Uiso 1 1 calc R U . . .
C24 C 0.2928(3) 0.64181(12) 0.6717(3) 0.0196(4) Uani 1 1 d . . . . .
H24 H 0.249452 0.657063 0.574326 0.024 Uiso 1 1 calc R U . . .
C25 C 0.5760(2) 0.57320(11) 0.5535(2) 0.0148(4) Uani 1 1 d . . . . .
C26 C 0.6857(3) 0.61284(13) 0.6683(3) 0.0226(5) Uani 1 1 d . . . . .
H26 H 0.681089 0.614469 0.758768 0.027 Uiso 1 1 calc R U . . .
C27 C 0.8024(3) 0.65006(14) 0.6487(3) 0.0278(5) Uani 1 1 d . . . . .
H27 H 0.875730 0.676635 0.725757 0.033 Uiso 1 1 calc R U . . .
C28 C 0.8090(3) 0.64737(13) 0.5136(3) 0.0265(5) Uani 1 1 d . . . . .
H28 H 0.886108 0.672876 0.499563 0.032 Uiso 1 1 calc R U . . .
C29 C 0.7012(3) 0.60682(15) 0.3994(3) 0.0268(5) Uani 1 1 d . . . . .
H29 H 0.707261 0.604502 0.309591 0.032 Uiso 1 1 calc R U . . .
C30 C 0.5847(3) 0.56979(13) 0.4182(2) 0.0210(4) Uani 1 1 d . . . . .
H30 H 0.512351 0.542733 0.341236 0.025 Uiso 1 1 calc R U . . .
C31 C 0.4753(2) 0.42993(11) 0.6328(2) 0.0146(4) Uani 1 1 d . . . . .
C32 C 0.5937(2) 0.39505(13) 0.6113(2) 0.0172(4) Uani 1 1 d . . . . .
H32 H 0.653135 0.423939 0.577333 0.021 Uiso 1 1 calc R U . . .
C33 C 0.6229(3) 0.31698(13) 0.6407(2) 0.0196(4) Uani 1 1 d . . . . .
H33 H 0.700655 0.293458 0.624792 0.023 Uiso 1 1 calc R U . . .
C34 C 0.5357(3) 0.27412(13) 0.6940(2) 0.0209(4) Uani 1 1 d . . . . .
H34 H 0.555849 0.221999 0.713991 0.025 Uiso 1 1 calc R U . . .
C35 C 0.4189(2) 0.30857(13) 0.7176(2) 0.0198(4) Uani 1 1 d . . . . .
H35 H 0.361168 0.279690 0.753584 0.024 Uiso 1 1 calc R U . . .
C36 C 0.3885(2) 0.38644(13) 0.6871(2) 0.0163(4) Uani 1 1 d . . . . .
H36 H 0.310302 0.409697 0.702874 0.020 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C7 Sn C13 119.90(8) . .
C7 Sn C1 117.73(8) . .
C13 Sn C1 119.98(8) . .
C7 Sn O1 83.93(6) . .
C13 Sn O1 86.60(7) . .
C1 Sn O1 84.01(6) . .
C7 Sn I1 95.16(5) . .
C13 Sn I1 94.96(6) . .
C1 Sn I1 95.31(6) . .
O1 Sn I1 178.43(4) . .
O1 P1 C31 113.33(9) . .
O1 P1 C19 110.00(9) . .
C31 P1 C19 108.58(9) . .
O1 P1 C25 109.70(9) . .
C31 P1 C25 107.76(10) . .
C19 P1 C25 107.26(9) . .
P1 O1 Sn 146.39(9) . .
C6 C1 C2 118.54(19) . .
C6 C1 Sn 120.64(15) . .
C2 C1 Sn 120.81(15) . .
C1 C2 C3 120.6(2) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C4 C3 C2 120.4(2) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.7(2) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C4 C5 C6 119.9(2) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 120.9(2) . .
C1 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C8 C7 C12 118.48(19) . .
C8 C7 Sn 119.81(15) . .
C12 C7 Sn 121.70(15) . .
C9 C8 C7 120.4(2) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C8 C9 C10 120.6(2) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C11 C10 C9 119.7(2) . .
C11 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C10 C11 C12 119.9(2) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C7 120.9(2) . .
C11 C12 H12 119.6 . .
C7 C12 H12 119.6 . .
C18 C13 C14 118.74(19) . .
C18 C13 Sn 121.98(16) . .
C14 C13 Sn 119.22(15) . .
C13 C14 C15 120.7(2) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C16 C15 C14 120.1(2) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 119.94(19) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C18 C17 C16 119.8(2) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C13 C18 C17 120.7(2) . .
C13 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C20 C19 C24 119.68(19) . .
C20 C19 P1 122.93(16) . .
C24 C19 P1 117.38(16) . .
C19 C20 C21 119.8(2) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C20 C21 C22 120.1(2) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C23 C22 C21 120.0(2) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.4(2) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C23 C24 C19 120.0(2) . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C26 C25 C30 119.7(2) . .
C26 C25 P1 121.72(16) . .
C30 C25 P1 118.62(17) . .
C27 C26 C25 120.4(2) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 119.6(2) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C27 C28 C29 120.2(2) . .
C27 C28 H28 119.9 . .
C29 C28 H28 119.9 . .
C30 C29 C28 120.4(2) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C25 119.7(2) . .
C29 C30 H30 120.1 . .
C25 C30 H30 120.1 . .
C32 C31 C36 119.7(2) . .
C32 C31 P1 120.59(16) . .
C36 C31 P1 119.32(17) . .
C33 C32 C31 119.9(2) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.0(2) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C35 120.5(2) . .
C33 C34 H34 119.8 . .
C35 C34 H34 119.8 . .
C36 C35 C34 119.7(2) . .
C36 C35 H35 120.1 . .
C34 C35 H35 120.1 . .
C35 C36 C31 120.1(2) . .
C35 C36 H36 119.9 . .
C31 C36 H36 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Sn 2.8699(2) .
Sn C7 2.122(2) .
Sn C13 2.130(2) .
Sn C1 2.138(2) .
Sn O1 2.3517(15) .
P1 O1 1.5044(15) .
P1 C31 1.793(2) .
P1 C19 1.797(2) .
P1 C25 1.800(2) .
C1 C6 1.395(3) .
C1 C2 1.396(3) .
C2 C3 1.396(3) .
C2 H2 0.9300 .
C3 C4 1.382(3) .
C3 H3 0.9300 .
C4 C5 1.393(3) .
C4 H4 0.9300 .
C5 C6 1.394(3) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.398(3) .
C7 C12 1.395(3) .
C8 C9 1.385(3) .
C8 H8 0.9300 .
C9 C10 1.384(3) .
C9 H9 0.9300 .
C10 C11 1.386(3) .
C10 H10 0.9300 .
C11 C12 1.391(3) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.396(3) .
C13 C14 1.396(3) .
C14 C15 1.394(3) .
C14 H14 0.9300 .
C15 C16 1.385(4) .
C15 H15 0.9300 .
C16 C17 1.394(3) .
C16 H16 0.9300 .
C17 C18 1.394(3) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.394(3) .
C19 C24 1.401(3) .
C20 C21 1.390(3) .
C20 H20 0.9300 .
C21 C22 1.398(4) .
C21 H21 0.9300 .
C22 C23 1.377(4) .
C22 H22 0.9300 .
C23 C24 1.386(3) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.388(3) .
C25 C30 1.399(3) .
C26 C27 1.389(3) .
C26 H26 0.9300 .
C27 C28 1.387(4) .
C27 H27 0.9300 .
C28 C29 1.385(4) .
C28 H28 0.9300 .
C29 C30 1.382(3) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.395(3) .
C31 C36 1.401(3) .
C32 C33 1.391(3) .
C32 H32 0.9300 .
C33 C34 1.391(3) .
C33 H33 0.9300 .
C34 C35 1.388(3) .
C34 H34 0.9300 .
C35 C36 1.391(3) .
C35 H35 0.9300 .
C36 H36 0.9300 .
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
C31 P1 O1 Sn 17.6(2) . . . .
C19 P1 O1 Sn -104.12(16) . . . .
C25 P1 O1 Sn 138.12(15) . . . .
C6 C1 C2 C3 -1.2(3) . . . .
Sn C1 C2 C3 177.46(16) . . . .
C1 C2 C3 C4 1.6(3) . . . .
C2 C3 C4 C5 -0.1(3) . . . .
C3 C4 C5 C6 -1.7(3) . . . .
C2 C1 C6 C5 -0.6(3) . . . .
Sn C1 C6 C5 -179.27(15) . . . .
C4 C5 C6 C1 2.1(3) . . . .
C12 C7 C8 C9 -1.2(3) . . . .
Sn C7 C8 C9 177.45(18) . . . .
C7 C8 C9 C10 0.3(4) . . . .
C8 C9 C10 C11 0.7(4) . . . .
C9 C10 C11 C12 -0.6(3) . . . .
C10 C11 C12 C7 -0.3(3) . . . .
C8 C7 C12 C11 1.2(3) . . . .
Sn C7 C12 C11 -177.39(16) . . . .
C18 C13 C14 C15 0.2(3) . . . .
Sn C13 C14 C15 -177.23(16) . . . .
C13 C14 C15 C16 1.0(3) . . . .
C14 C15 C16 C17 -1.3(3) . . . .
C15 C16 C17 C18 0.5(3) . . . .
C14 C13 C18 C17 -1.0(3) . . . .
Sn C13 C18 C17 176.35(16) . . . .
C16 C17 C18 C13 0.6(4) . . . .
O1 P1 C19 C20 148.46(17) . . . .
C31 P1 C19 C20 23.9(2) . . . .
C25 P1 C19 C20 -92.28(19) . . . .
O1 P1 C19 C24 -32.47(19) . . . .
C31 P1 C19 C24 -157.01(16) . . . .
C25 P1 C19 C24 86.80(18) . . . .
C24 C19 C20 C21 1.8(3) . . . .
P1 C19 C20 C21 -179.13(16) . . . .
C19 C20 C21 C22 -1.8(3) . . . .
C20 C21 C22 C23 0.8(4) . . . .
C21 C22 C23 C24 0.1(4) . . . .
C22 C23 C24 C19 0.0(3) . . . .
C20 C19 C24 C23 -0.9(3) . . . .
P1 C19 C24 C23 179.97(18) . . . .
O1 P1 C25 C26 145.94(18) . . . .
C31 P1 C25 C26 -90.2(2) . . . .
C19 P1 C25 C26 26.5(2) . . . .
O1 P1 C25 C30 -33.11(19) . . . .
C31 P1 C25 C30 90.70(18) . . . .
C19 P1 C25 C30 -152.56(17) . . . .
C30 C25 C26 C27 1.0(3) . . . .
P1 C25 C26 C27 -178.00(18) . . . .
C25 C26 C27 C28 -0.1(4) . . . .
C26 C27 C28 C29 -1.0(4) . . . .
C27 C28 C29 C30 1.1(4) . . . .
C28 C29 C30 C25 -0.2(3) . . . .
C26 C25 C30 C29 -0.9(3) . . . .
P1 C25 C30 C29 178.16(17) . . . .
O1 P1 C31 C32 100.65(17) . . . .
C19 P1 C31 C32 -136.80(17) . . . .
C25 P1 C31 C32 -20.93(19) . . . .
O1 P1 C31 C36 -72.41(19) . . . .
C19 P1 C31 C36 50.14(19) . . . .
C25 P1 C31 C36 166.02(16) . . . .
C36 C31 C32 C33 1.4(3) . . . .
P1 C31 C32 C33 -171.60(16) . . . .
C31 C32 C33 C34 -1.1(3) . . . .
C32 C33 C34 C35 0.3(3) . . . .
C33 C34 C35 C36 0.3(3) . . . .
C34 C35 C36 C31 0.0(3) . . . .
C32 C31 C36 C35 -0.9(3) . . . .
P1 C31 C36 C35 172.24(15) . . . .
