#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/24/2222468.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_2222468
loop_
_publ_author_name
'Yap, Quai Ling'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 Trimethylphenylammonium dibromidotriphenylstannate(IV)
;
_journal_coeditor_code           TK2456
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m714
_journal_paper_doi               10.1107/S1600536809019722
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C9 H14 N) [Sn Br2 (C6 H5)3]'
_chemical_formula_moiety         'C9 H14 N +, C18 H15 Br2 Sn -'
_chemical_formula_sum            'C27 H29 Br2 N Sn'
_chemical_formula_weight         646.02
_chemical_name_systematic
;
Trimethylphenylammonium dibromidotriphenylstannate(IV)
;
_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
_cell_angle_beta                 111.0030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.00100(10)
_cell_length_b                   16.7778(2)
_cell_length_c                   9.24480(10)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.4
_cell_volume                     1303.37(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'pubCIF (Westrip, 2009)'
_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  0.012
_diffrn_reflns_av_sigmaI/netI    0.016
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12525
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.4
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.060
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.223
_refine_ls_abs_structure_details 'Flack (1983), 2872 Friedel pairs'
_refine_ls_abs_structure_Flack   0.011(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5966
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.016
_refine_ls_R_factor_gt           0.016
_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)+(0.0283P)²+0.211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.042
_refine_ls_wR_factor_ref         0.042
_reflns_number_gt                5889
_reflns_number_total             5966
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2456.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2222468
_cod_database_fobs_code          2222468
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_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.800735(16) 0.499537(6) 0.968485(15) 0.01425(4) Uani d . 1 . .
Br Br1 0.50474(2) 0.441885(12) 0.78666(2) 0.01891(5) Uani d . 1 . .
Br Br2 1.10719(2) 0.544697(12) 1.14791(2) 0.01839(5) Uani d . 1 . .
N N1 0.4280(2) 0.36054(11) 1.3067(2) 0.0184(3) Uani d . 1 . .
C C1 0.8550(2) 0.52187(12) 0.7653(2) 0.0173(4) Uani d . 1 . .
C C2 0.7539(3) 0.56900(13) 0.6462(3) 0.0213(4) Uani d . 1 . .
H H2 0.6596 0.5903 0.6549 0.026 Uiso calc R 1 . .
C C3 0.7901(3) 0.58504(15) 0.5146(3) 0.0254(5) Uani d . 1 . .
H H3 0.7209 0.6175 0.4346 0.030 Uiso calc R 1 . .
C C4 0.9258(3) 0.55404(16) 0.4999(3) 0.0273(5) Uani d . 1 . .
H H4 0.9495 0.5649 0.4097 0.033 Uiso calc R 1 . .
C C5 1.0273(3) 0.50715(18) 0.6166(3) 0.0292(5) Uani d . 1 . .
H H5 1.1205 0.4855 0.6060 0.035 Uiso calc R 1 . .
C C6 0.9933(3) 0.49146(15) 0.7499(3) 0.0250(5) Uani d . 1 . .
H H6 1.0645 0.4600 0.8304 0.030 Uiso calc R 1 . .
C C7 0.8524(2) 0.38465(13) 1.0804(2) 0.0157(4) Uani d . 1 . .
C C8 0.8729(3) 0.37779(14) 1.2360(3) 0.0220(4) Uani d . 1 . .
H H8 0.8638 0.4235 1.2931 0.026 Uiso calc R 1 . .
C C9 0.9068(3) 0.30373(16) 1.3081(3) 0.0301(5) Uani d . 1 . .
H H9 0.9167 0.2985 1.4135 0.036 Uiso calc R 1 . .
C C10 0.9261(3) 0.23781(15) 1.2269(3) 0.0315(6) Uani d . 1 . .
H H10 0.9494 0.1873 1.2764 0.038 Uiso calc R 1 . .
C C11 0.9113(3) 0.24555(14) 1.0730(3) 0.0299(5) Uani d . 1 . .
H H11 0.9264 0.2005 1.0176 0.036 Uiso calc R 1 . .
C C12 0.8743(3) 0.31912(14) 0.9998(3) 0.0249(5) Uani d . 1 . .
H H12 0.8641 0.3243 0.8944 0.030 Uiso calc R 1 . .
C C13 0.6992(2) 0.59342(13) 1.0628(2) 0.0159(4) Uani d . 1 . .
C C14 0.7844(3) 0.66346(13) 1.1201(2) 0.0202(4) Uani d . 1 . .
H H14 0.8905 0.6686 1.1227 0.024 Uiso calc R 1 . .
C C15 0.7154(3) 0.72562(13) 1.1732(3) 0.0229(4) Uani d . 1 . .
H H15 0.7747 0.7728 1.2120 0.027 Uiso calc R 1 . .
C C16 0.5604(3) 0.71924(14) 1.1700(3) 0.0253(5) Uani d . 1 . .
H H16 0.5126 0.7622 1.2041 0.030 Uiso calc R 1 . .
C C17 0.4761(3) 0.64944(15) 1.1163(3) 0.0250(5) Uani d . 1 . .
H H17 0.3710 0.6441 1.1161 0.030 Uiso calc R 1 . .
C C18 0.5447(2) 0.58699(13) 1.0626(2) 0.0186(4) Uani d . 1 . .
H H18 0.4855 0.5396 1.0256 0.022 Uiso calc R 1 . .
C C19 0.5292(2) 0.28835(13) 1.3666(2) 0.0175(4) Uani d . 1 . .
C C20 0.6100(3) 0.28234(14) 1.5255(3) 0.0238(5) Uani d . 1 . .
H H20 0.6051 0.3244 1.5924 0.029 Uiso calc R 1 . .
C C21 0.6975(3) 0.21445(15) 1.5849(3) 0.0264(5) Uani d . 1 . .
H H21 0.7536 0.2100 1.6933 0.032 Uiso calc R 1 . .
C C22 0.7040(3) 0.15287(14) 1.4874(3) 0.0242(4) Uani d . 1 . .
H H22 0.7628 0.1059 1.5290 0.029 Uiso calc R 1 . .
C C23 0.6246(3) 0.15991(13) 1.3294(3) 0.0227(4) Uani d . 1 . .
H H23 0.6302 0.1179 1.2626 0.027 Uiso calc R 1 . .
C C24 0.5367(3) 0.22799(13) 1.2673(3) 0.0206(4) Uani d . 1 . .
H H24 0.4826 0.2330 1.1586 0.025 Uiso calc R 1 . .
C C25 0.2875(3) 0.35662(15) 1.3594(3) 0.0265(5) Uani d . 1 . .
H H25A 0.3257 0.3534 1.4727 0.040 Uiso calc R 1 . .
H H25B 0.2234 0.3094 1.3147 0.040 Uiso calc R 1 . .
H H25C 0.2221 0.4046 1.3249 0.040 Uiso calc R 1 . .
C C26 0.3650(3) 0.36554(15) 1.1328(3) 0.0317(6) Uani d . 1 . .
H H26A 0.4542 0.3686 1.0958 0.048 Uiso calc R 1 . .
H H26B 0.2985 0.4132 1.0997 0.048 Uiso calc R 1 . .
H H26C 0.3012 0.3180 1.0894 0.048 Uiso calc R 1 . .
C C27 0.5184(3) 0.43595(14) 1.3676(3) 0.0246(4) Uani d . 1 . .
H H27A 0.6096 0.4394 1.3336 0.037 Uiso calc R 1 . .
H H27B 0.5563 0.4358 1.4810 0.037 Uiso calc R 1 . .
H H27C 0.4484 0.4819 1.3278 0.037 Uiso calc R 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
C1 Sn1 C7 . . 120.02(8) ?
C1 Sn1 C13 . . 119.42(8) ?
C7 Sn1 C13 . . 120.54(7) ?
C1 Sn1 Br2 . . 89.20(5) ?
C13 Sn1 Br2 . . 91.91(5) ?
C7 Sn1 Br2 . . 87.71(5) ?
C1 Sn1 Br1 . . 90.06(5) ?
C13 Sn1 Br1 . . 92.62(5) ?
C7 Sn1 Br1 . . 88.51(5) ?
Br1 Sn1 Br2 . . 175.151(7) ?
C27 N1 C26 . . 107.47(18) ?
C27 N1 C19 . . 111.54(16) ?
C26 N1 C19 . . 112.77(17) ?
C27 N1 C25 . . 108.64(17) ?
C26 N1 C25 . . 107.97(18) ?
C19 N1 C25 . . 108.32(17) ?
C2 C1 C6 . . 118.6(2) ?
C2 C1 Sn1 . . 120.17(15) ?
C6 C1 Sn1 . . 121.19(15) ?
C3 C2 C1 . . 120.5(2) ?
C3 C2 H2 . . 119.8 ?
C1 C2 H2 . . 119.8 ?
C4 C3 C2 . . 120.4(2) ?
C4 C3 H3 . . 119.8 ?
C2 C3 H3 . . 119.8 ?
C5 C4 C3 . . 120.0(2) ?
C5 C4 H4 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.2(2) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C5 C6 C1 . . 120.4(2) ?
C5 C6 H6 . . 119.8 ?
C1 C6 H6 . . 119.8 ?
C12 C7 C8 . . 120.1(2) ?
C12 C7 Sn1 . . 120.01(15) ?
C8 C7 Sn1 . . 119.79(15) ?
C9 C8 C7 . . 119.7(2) ?
C9 C8 H8 . . 120.2 ?
C7 C8 H8 . . 120.2 ?
C10 C9 C8 . . 120.2(2) ?
C10 C9 H9 . . 119.9 ?
C8 C9 H9 . . 119.9 ?
C9 C10 C11 . . 119.8(2) ?
C9 C10 H10 . . 120.1 ?
C11 C10 H10 . . 120.1 ?
C12 C11 C10 . . 120.1(2) ?
C12 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C7 C12 C11 . . 120.0(2) ?
C7 C12 H12 . . 120.0 ?
C11 C12 H12 . . 120.0 ?
C18 C13 C14 . . 118.46(19) ?
C18 C13 Sn1 . . 120.68(16) ?
C14 C13 Sn1 . . 120.82(14) ?
C15 C14 C13 . . 120.7(2) ?
C15 C14 H14 . . 119.7 ?
C13 C14 H14 . . 119.7 ?
C16 C15 C14 . . 120.5(2) ?
C16 C15 H15 . . 119.8 ?
C14 C15 H15 . . 119.8 ?
C15 C16 C17 . . 119.3(2) ?
C15 C16 H16 . . 120.4 ?
C17 C16 H16 . . 120.4 ?
C16 C17 C18 . . 120.5(2) ?
C16 C17 H17 . . 119.8 ?
C18 C17 H17 . . 119.8 ?
C17 C18 C13 . . 120.6(2) ?
C17 C18 H18 . . 119.7 ?
C13 C18 H18 . . 119.7 ?
C24 C19 C20 . . 121.1(2) ?
C24 C19 N1 . . 120.93(18) ?
C20 C19 N1 . . 117.91(19) ?
C19 C20 C21 . . 119.2(2) ?
C19 C20 H20 . . 120.4 ?
C21 C20 H20 . . 120.4 ?
C22 C21 C20 . . 120.4(2) ?
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C21 C22 C23 . . 119.8(2) ?
C21 C22 H22 . . 120.1 ?
C23 C22 H22 . . 120.1 ?
C22 C23 C24 . . 120.6(2) ?
C22 C23 H23 . . 119.7 ?
C24 C23 H23 . . 119.7 ?
C19 C24 C23 . . 118.8(2) ?
C19 C24 H24 . . 120.6 ?
C23 C24 H24 . . 120.6 ?
N1 C25 H25A . . 109.5 ?
N1 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
N1 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
N1 C26 H26A . . 109.5 ?
N1 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
N1 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
N1 C27 H27A . . 109.5 ?
N1 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
N1 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
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 Br1 . 2.7657(2) ?
Sn1 Br2 . 2.7667(2) ?
Sn1 C1 . 2.137(2) ?
Sn1 C7 . 2.158(2) ?
Sn1 C13 . 2.156(2) ?
N1 C27 . 1.500(3) ?
N1 C26 . 1.503(3) ?
N1 C19 . 1.497(3) ?
N1 C25 . 1.511(3) ?
C1 C2 . 1.396(3) ?
C1 C6 . 1.399(3) ?
C2 C3 . 1.394(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.378(4) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.382(4) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.397(3) ?
C5 H5 . 0.9500 ?
C6 H6 . 0.9500 ?
C7 C12 . 1.381(3) ?
C7 C8 . 1.388(3) ?
C8 C9 . 1.391(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.382(4) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.387(4) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.389(3) ?
C11 H11 . 0.9500 ?
C12 H12 . 0.9500 ?
C13 C18 . 1.395(3) ?
C13 C14 . 1.399(3) ?
C14 C15 . 1.390(3) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.389(3) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.387(4) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.394(3) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
C19 C24 . 1.385(3) ?
C19 C20 . 1.390(3) ?
C20 C21 . 1.382(3) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.386(3) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.382(3) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.391(3) ?
C23 H23 . 0.9500 ?
C24 H24 . 0.9500 ?
C25 H25A . 0.9800 ?
C25 H25B . 0.9800 ?
C25 H25C . 0.9800 ?
C26 H26A . 0.9800 ?
C26 H26B . 0.9800 ?
C26 H26C . 0.9800 ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
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
C13 Sn1 C1 C2 . . . . -38.04(19) ?
C7 Sn1 C1 C2 . . . . 143.32(15) ?
Br2 Sn1 C1 C2 . . . . -129.79(16) ?
Br1 Sn1 C1 C2 . . . . 55.01(16) ?
C13 Sn1 C1 C6 . . . . 140.49(17) ?
C7 Sn1 C1 C6 . . . . -38.1(2) ?
Br2 Sn1 C1 C6 . . . . 48.75(17) ?
Br1 Sn1 C1 C6 . . . . -126.46(17) ?
C6 C1 C2 C3 . . . . 0.2(3) ?
Sn1 C1 C2 C3 . . . . 178.79(16) ?
C1 C2 C3 C4 . . . . 0.5(3) ?
C2 C3 C4 C5 . . . . -0.4(4) ?
C3 C4 C5 C6 . . . . -0.4(4) ?
C4 C5 C6 C1 . . . . 1.1(4) ?
C2 C1 C6 C5 . . . . -1.0(3) ?
Sn1 C1 C6 C5 . . . . -179.56(19) ?
C1 Sn1 C7 C12 . . . . -19.52(19) ?
C13 Sn1 C7 C12 . . . . 161.86(15) ?
Br2 Sn1 C7 C12 . . . . -107.26(16) ?
Br1 Sn1 C7 C12 . . . . 69.69(16) ?
C1 Sn1 C7 C8 . . . . 156.62(15) ?
C13 Sn1 C7 C8 . . . . -22.00(19) ?
Br2 Sn1 C7 C8 . . . . 68.87(15) ?
Br1 Sn1 C7 C8 . . . . -114.17(15) ?
C12 C7 C8 C9 . . . . -3.6(3) ?
Sn1 C7 C8 C9 . . . . -179.74(16) ?
C7 C8 C9 C10 . . . . 2.5(3) ?
C8 C9 C10 C11 . . . . -0.1(3) ?
C9 C10 C11 C12 . . . . -1.2(4) ?
C8 C7 C12 C11 . . . . 2.3(3) ?
Sn1 C7 C12 C11 . . . . 178.46(17) ?
C10 C11 C12 C7 . . . . 0.1(3) ?
C1 Sn1 C13 C18 . . . . 113.96(16) ?
C7 Sn1 C13 C18 . . . . -67.41(18) ?
Br2 Sn1 C13 C18 . . . . -155.88(16) ?
Br1 Sn1 C13 C18 . . . . 22.41(16) ?
C1 Sn1 C13 C14 . . . . -63.53(18) ?
C7 Sn1 C13 C14 . . . . 115.10(17) ?
Br2 Sn1 C13 C14 . . . . 26.62(16) ?
Br1 Sn1 C13 C14 . . . . -155.09(16) ?
C18 C13 C14 C15 . . . . -1.0(3) ?
Sn1 C13 C14 C15 . . . . 176.54(16) ?
C13 C14 C15 C16 . . . . -0.2(3) ?
C14 C15 C16 C17 . . . . 1.4(3) ?
C15 C16 C17 C18 . . . . -1.5(3) ?
C16 C17 C18 C13 . . . . 0.4(3) ?
C14 C13 C18 C17 . . . . 0.9(3) ?
Sn1 C13 C18 C17 . . . . -176.66(16) ?
C27 N1 C19 C24 . . . . -131.5(2) ?
C26 N1 C19 C24 . . . . -10.4(3) ?
C25 N1 C19 C24 . . . . 109.0(2) ?
C27 N1 C19 C20 . . . . 51.2(2) ?
C26 N1 C19 C20 . . . . 172.2(2) ?
C25 N1 C19 C20 . . . . -68.3(2) ?
C24 C19 C20 C21 . . . . -0.8(3) ?
N1 C19 C20 C21 . . . . 176.6(2) ?
C19 C20 C21 C22 . . . . -0.4(4) ?
C20 C21 C22 C23 . . . . 1.1(4) ?
C21 C22 C23 C24 . . . . -0.7(4) ?
C20 C19 C24 C23 . . . . 1.1(3) ?
N1 C19 C24 C23 . . . . -176.13(19) ?
C22 C23 C24 C19 . . . . -0.4(3) ?
