#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:55:33 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/21/7232121.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_7232121
loop_
_publ_author_name
'Rani, Jyoti'
'Kaur, Gurkiran'
'Sushila, Sushila'
'Diksha, Diksha'
'Yadav, Rashmi'
'Kataria, Ramesh'
'Venugopalan, Paloth'
'Natarajan, Palani'
'Chaudhary, Arvind'
'Patra, Ranjan'
_publ_section_title
;
 Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and
 2D networks in hexa-coordinated Sn(iv) porphyrins
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1150
_journal_paper_doi               10.1039/C8CE01877D
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C58 H30 Br4 I4 N4 O4 Sn'
_chemical_formula_weight         1792.79
_chemical_name_common            3,5-Dibromobenzoate-tin-tetraiodoporphrin
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-10-31 deposited with the CCDC.
2019-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                98.727(5)
_cell_angle_beta                 101.652(6)
_cell_angle_gamma                96.887(6)
_cell_formula_units_Z            1
_cell_length_a                   8.8374(7)
_cell_length_b                   10.7088(6)
_cell_length_c                   15.0404(11)
_cell_measurement_reflns_used    4443
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.2650
_cell_measurement_theta_min      3.6770
_cell_volume                     1361.15(17)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    SHELX
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0986
_diffrn_reflns_av_unetI/netI     0.1039
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15488
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         3.118
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.725
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.187
_exptl_crystal_description       Block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.613
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1335
_refine_ls_R_factor_gt           0.0699
_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)+(0.0805P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1709
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2731
_reflns_number_total             4767
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01877d2.cif
_cod_data_source_block           shelx_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7232116--7232123.cif.'
_cod_database_code               7232121
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.170
_shelx_estimated_absorpt_t_max   0.394
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Sn1 Sn 0.500000 0.500000 0.500000 0.0399(3) Uani 1 2 d S . P
Br1 Br 0.5917(2) 0.91267(16) 0.08694(12) 0.1241(7) Uani 1 1 d . . .
Br2 Br 0.70276(19) 0.40586(13) 0.09364(10) 0.0919(5) Uani 1 1 d . . .
I1 I 1.27387(9) -0.05151(7) 0.37711(6) 0.0650(3) Uani 1 1 d . . .
I2 I -0.11847(12) 0.18010(10) -0.12880(6) 0.1007(4) Uani 1 1 d . . .
N1 N 0.7140(8) 0.4652(7) 0.5734(6) 0.042(2) Uani 1 1 d . . .
N2 N 0.5001(9) 0.3498(6) 0.3932(5) 0.0372(19) Uani 1 1 d . . .
O1 O 0.6235(7) 0.6065(6) 0.4224(4) 0.0469(17) Uani 1 1 d . . .
O2 O 0.5223(10) 0.7835(7) 0.4145(5) 0.072(2) Uani 1 1 d . . .
C1 C 0.7867(11) 0.5236(8) 0.6597(7) 0.041(2) Uani 1 1 d . . .
C2 C 0.9229(11) 0.4668(9) 0.6850(7) 0.049(3) Uani 1 1 d . . .
H2A H 0.994404 0.488161 0.741532 0.058 Uiso 1 1 calc R U .
C3 C 0.9312(11) 0.3784(9) 0.6146(7) 0.045(3) Uani 1 1 d . . .
H3A H 1.009905 0.328175 0.613318 0.054 Uiso 1 1 calc R U .
C4 C 0.8001(12) 0.3739(8) 0.5423(7) 0.044(3) Uani 1 1 d . . .
C5 C 0.7597(11) 0.2939(9) 0.4563(7) 0.041(2) Uani 1 1 d . . .
C6 C 0.6228(12) 0.2840(8) 0.3858(7) 0.042(2) Uani 1 1 d . . .
C7 C 0.5925(12) 0.2135(9) 0.2929(7) 0.052(3) Uani 1 1 d . . .
H7A H 0.657098 0.161192 0.269201 0.063 Uiso 1 1 calc R U .
C8 C 0.4554(12) 0.2361(9) 0.2463(7) 0.051(3) Uani 1 1 d . . .
H8A H 0.407366 0.201522 0.185130 0.061 Uiso 1 1 calc R U .
C9 C 0.3958(11) 0.3237(8) 0.3082(7) 0.041(2) Uani 1 1 d . . .
C10 C 0.2637(11) 0.3803(8) 0.2837(7) 0.041(2) Uani 1 1 d . . .
C11 C 0.8765(12) 0.2084(9) 0.4333(6) 0.044(3) Uani 1 1 d . . .
C12 C 1.0276(13) 0.2614(9) 0.4399(7) 0.053(3) Uani 1 1 d . . .
H12A H 1.056350 0.349529 0.457285 0.063 Uiso 1 1 calc R U .
C13 C 1.1387(12) 0.1871(10) 0.4214(8) 0.055(3) Uani 1 1 d . . .
H13A H 1.242012 0.224285 0.428377 0.066 Uiso 1 1 calc R U .
C14 C 1.0949(13) 0.0589(10) 0.3930(7) 0.051(3) Uani 1 1 d . . .
C15 C 0.9452(13) 0.0038(9) 0.3826(7) 0.051(3) Uani 1 1 d . . .
H15A H 0.915982 -0.083515 0.360452 0.062 Uiso 1 1 calc R U .
C16 C 0.8354(12) 0.0775(9) 0.4048(7) 0.053(3) Uani 1 1 d . . .
H16A H 0.733547 0.038966 0.400638 0.064 Uiso 1 1 calc R U .
C17 C 0.1679(12) 0.3328(9) 0.1896(7) 0.047(3) Uani 1 1 d . . .
C18 C 0.1686(13) 0.4099(10) 0.1223(8) 0.058(3) Uani 1 1 d . . .
H18A H 0.225864 0.491895 0.138372 0.069 Uiso 1 1 calc R U .
C19 C 0.0888(14) 0.3679(11) 0.0361(8) 0.063(3) Uani 1 1 d . . .
H19A H 0.093907 0.419086 -0.008306 0.076 Uiso 1 1 calc R U .
C20 C -0.0025(15) 0.2475(12) 0.0118(7) 0.068(3) Uani 1 1 d . . .
C21 C -0.0058(14) 0.1701(11) 0.0740(9) 0.067(3) Uani 1 1 d . . .
H21A H -0.063866 0.088424 0.056856 0.081 Uiso 1 1 calc R U .
C22 C 0.0774(14) 0.2129(10) 0.1629(8) 0.065(3) Uani 1 1 d . . .
H22A H 0.073023 0.160149 0.206375 0.078 Uiso 1 1 calc R U .
C23 C 0.5797(12) 0.6967(10) 0.3819(7) 0.049(3) Uani 1 1 d . . .
C24 C 0.6050(12) 0.6825(10) 0.2844(8) 0.054(3) Uani 1 1 d . . .
C25 C 0.5878(13) 0.7876(11) 0.2380(8) 0.065(3) Uani 1 1 d . . .
H25A H 0.563671 0.863265 0.267017 0.078 Uiso 1 1 calc R U .
C26 C 0.6073(15) 0.7748(12) 0.1516(9) 0.073(4) Uani 1 1 d . . .
C27 C 0.6410(13) 0.6631(12) 0.1051(9) 0.071(3) Uani 1 1 d . . .
H27A H 0.651450 0.655080 0.044259 0.085 Uiso 1 1 calc R U .
C28 C 0.6584(13) 0.5624(11) 0.1549(9) 0.070(3) Uani 1 1 d . . .
C29 C 0.6438(12) 0.5751(11) 0.2430(8) 0.059(3) Uani 1 1 d . . .
H29A H 0.660936 0.508758 0.275377 0.070 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'
Br Br -0.2901 2.4595 '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'
N N 0.0061 0.0033 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Sn1 N2 180.0 . 2_666
N2 Sn1 N1 90.2(3) . .
N2 Sn1 N1 89.8(3) 2_666 .
N2 Sn1 N1 89.8(3) . 2_666
N2 Sn1 N1 90.2(3) 2_666 2_666
N1 Sn1 N1 180.0 . 2_666
N2 Sn1 O1 82.2(3) . .
N2 Sn1 O1 97.8(3) 2_666 .
N1 Sn1 O1 88.9(3) . .
N1 Sn1 O1 91.1(3) 2_666 .
N2 Sn1 O1 97.8(3) . 2_666
N2 Sn1 O1 82.2(3) 2_666 2_666
N1 Sn1 O1 91.1(3) . 2_666
N1 Sn1 O1 88.9(3) 2_666 2_666
O1 Sn1 O1 180.0(3) . 2_666
C1 N1 C4 109.1(8) . .
C1 N1 Sn1 125.4(6) . .
C4 N1 Sn1 125.4(7) . .
C6 N2 C9 107.9(7) . .
C6 N2 Sn1 125.5(6) . .
C9 N2 Sn1 124.6(6) . .
C23 O1 Sn1 127.3(6) . .
N1 C1 C10 127.0(8) . 2_666
N1 C1 C2 107.1(8) . .
C10 C1 C2 125.9(9) 2_666 .
C3 C2 C1 108.9(9) . .
C3 C2 H2A 125.5 . .
C1 C2 H2A 125.5 . .
C2 C3 C4 108.1(9) . .
C2 C3 H3A 125.9 . .
C4 C3 H3A 125.9 . .
N1 C4 C5 125.3(9) . .
N1 C4 C3 106.7(9) . .
C5 C4 C3 128.0(9) . .
C4 C5 C6 127.8(9) . .
C4 C5 C11 116.8(9) . .
C6 C5 C11 115.4(9) . .
N2 C6 C5 125.0(8) . .
N2 C6 C7 107.9(8) . .
C5 C6 C7 126.9(9) . .
C8 C7 C6 108.4(9) . .
C8 C7 H7A 125.8 . .
C6 C7 H7A 125.8 . .
C7 C8 C9 107.6(9) . .
C7 C8 H8A 126.2 . .
C9 C8 H8A 126.2 . .
N2 C9 C10 126.3(9) . .
N2 C9 C8 108.2(8) . .
C10 C9 C8 125.3(9) . .
C9 C10 C1 126.2(9) . 2_666
C9 C10 C17 116.0(8) . .
C1 C10 C17 117.8(8) 2_666 .
C12 C11 C16 118.2(9) . .
C12 C11 C5 119.4(9) . .
C16 C11 C5 122.3(9) . .
C11 C12 C13 121.5(10) . .
C11 C12 H12A 119.3 . .
C13 C12 H12A 119.3 . .
C14 C13 C12 119.0(10) . .
C14 C13 H13A 120.5 . .
C12 C13 H13A 120.5 . .
C15 C14 C13 121.0(9) . .
C15 C14 I1 121.6(7) . .
C13 C14 I1 117.2(8) . .
C14 C15 C16 119.9(9) . .
C14 C15 H15A 120.1 . .
C16 C15 H15A 120.1 . .
C15 C16 C11 120.3(9) . .
C15 C16 H16A 119.9 . .
C11 C16 H16A 119.9 . .
C22 C17 C18 117.2(10) . .
C22 C17 C10 123.1(9) . .
C18 C17 C10 119.6(9) . .
C19 C18 C17 121.1(10) . .
C19 C18 H18A 119.5 . .
C17 C18 H18A 119.5 . .
C18 C19 C20 120.2(10) . .
C18 C19 H19A 119.9 . .
C20 C19 H19A 119.9 . .
C21 C20 C19 120.7(11) . .
C21 C20 I2 120.2(9) . .
C19 C20 I2 118.8(9) . .
C20 C21 C22 119.2(11) . .
C20 C21 H21A 120.4 . .
C22 C21 H21A 120.4 . .
C21 C22 C17 121.6(10) . .
C21 C22 H22A 119.2 . .
C17 C22 H22A 119.2 . .
O2 C23 O1 125.4(10) . .
O2 C23 C24 122.0(10) . .
O1 C23 C24 112.5(9) . .
C29 C24 C25 120.5(11) . .
C29 C24 C23 121.6(10) . .
C25 C24 C23 117.9(10) . .
C26 C25 C24 118.2(11) . .
C26 C25 H25A 120.9 . .
C24 C25 H25A 120.9 . .
C25 C26 C27 122.9(11) . .
C25 C26 Br1 120.4(10) . .
C27 C26 Br1 116.7(10) . .
C26 C27 C28 116.4(11) . .
C26 C27 H27A 121.8 . .
C28 C27 H27A 121.8 . .
C29 C28 C27 121.4(11) . .
C29 C28 Br2 120.5(10) . .
C27 C28 Br2 118.1(10) . .
C24 C29 C28 120.4(11) . .
C24 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 N2 2.094(7) .
Sn1 N2 2.094(7) 2_666
Sn1 N1 2.095(7) .
Sn1 N1 2.095(7) 2_666
Sn1 O1 2.115(6) .
Sn1 O1 2.115(6) 2_666
Br1 C26 1.891(11) .
Br2 C28 1.910(12) .
I1 C14 2.114(10) .
I2 C20 2.127(11) .
N1 C1 1.344(11) .
N1 C4 1.391(11) .
N2 C6 1.375(11) .
N2 C9 1.383(11) .
O1 C23 1.276(11) .
O2 C23 1.199(11) .
C1 C10 1.407(13) 2_666
C1 C2 1.422(12) .
C2 C3 1.329(12) .
C2 H2A 0.9300 .
C3 C4 1.411(13) .
C3 H3A 0.9300 .
C4 C5 1.393(13) .
C5 C6 1.420(13) .
C5 C11 1.516(12) .
C6 C7 1.441(13) .
C7 C8 1.340(13) .
C7 H7A 0.9300 .
C8 C9 1.441(13) .
C8 H8A 0.9300 .
C9 C10 1.389(12) .
C10 C17 1.474(13) .
C11 C12 1.365(13) .
C11 C16 1.383(12) .
C12 C13 1.380(13) .
C12 H12A 0.9300 .
C13 C14 1.358(13) .
C13 H13A 0.9300 .
C14 C15 1.351(13) .
C15 C16 1.382(13) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C22 1.385(13) .
C17 C18 1.400(13) .
C18 C19 1.327(14) .
C18 H18A 0.9300 .
C19 C20 1.391(15) .
C19 H19A 0.9300 .
C20 C21 1.343(14) .
C21 C22 1.370(15) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.514(15) .
C24 C29 1.339(14) .
C24 C25 1.419(14) .
C25 C26 1.333(15) .
C25 H25A 0.9300 .
C26 C27 1.388(16) .
C27 C28 1.409(15) .
C27 H27A 0.9300 .
C28 C29 1.345(15) .
C29 H29A 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_4
C4 N1 C1 C10 -178.6(9) . 2_666
Sn1 N1 C1 C10 -1.2(14) . 2_666
C4 N1 C1 C2 -0.7(10) . .
Sn1 N1 C1 C2 176.7(6) . .
N1 C1 C2 C3 0.9(11) . .
C10 C1 C2 C3 178.9(9) 2_666 .
C1 C2 C3 C4 -0.8(11) . .
C1 N1 C4 C5 179.4(9) . .
Sn1 N1 C4 C5 2.1(13) . .
C1 N1 C4 C3 0.2(10) . .
Sn1 N1 C4 C3 -177.2(6) . .
C2 C3 C4 N1 0.4(11) . .
C2 C3 C4 C5 -178.8(9) . .
N1 C4 C5 C6 -3.4(15) . .
C3 C4 C5 C6 175.7(9) . .
N1 C4 C5 C11 175.3(8) . .
C3 C4 C5 C11 -5.6(14) . .
C9 N2 C6 C5 174.8(8) . .
Sn1 N2 C6 C5 10.3(12) . .
C9 N2 C6 C7 -0.6(10) . .
Sn1 N2 C6 C7 -165.0(6) . .
C4 C5 C6 N2 -3.4(15) . .
C11 C5 C6 N2 177.9(8) . .
C4 C5 C6 C7 171.1(9) . .
C11 C5 C6 C7 -7.6(13) . .
N2 C6 C7 C8 -0.3(11) . .
C5 C6 C7 C8 -175.5(9) . .
C6 C7 C8 C9 1.0(11) . .
C6 N2 C9 C10 -173.5(9) . .
Sn1 N2 C9 C10 -8.9(13) . .
C6 N2 C9 C8 1.1(10) . .
Sn1 N2 C9 C8 165.8(6) . .
C7 C8 C9 N2 -1.3(11) . .
C7 C8 C9 C10 173.4(9) . .
N2 C9 C10 C1 1.3(16) . 2_666
C8 C9 C10 C1 -172.5(9) . 2_666
N2 C9 C10 C17 -177.9(8) . .
C8 C9 C10 C17 8.3(14) . .
C4 C5 C11 C12 -54.0(12) . .
C6 C5 C11 C12 124.9(10) . .
C4 C5 C11 C16 126.6(10) . .
C6 C5 C11 C16 -54.6(12) . .
C16 C11 C12 C13 -1.8(16) . .
C5 C11 C12 C13 178.7(9) . .
C11 C12 C13 C14 2.3(16) . .
C12 C13 C14 C15 0.1(16) . .
C12 C13 C14 I1 -174.8(8) . .
C13 C14 C15 C16 -2.8(16) . .
I1 C14 C15 C16 171.8(8) . .
C14 C15 C16 C11 3.2(16) . .
C12 C11 C16 C15 -1.0(15) . .
C5 C11 C16 C15 178.5(9) . .
C9 C10 C17 C22 71.1(13) . .
C1 C10 C17 C22 -108.2(11) 2_666 .
C9 C10 C17 C18 -107.7(10) . .
C1 C10 C17 C18 73.1(12) 2_666 .
C22 C17 C18 C19 -1.7(16) . .
C10 C17 C18 C19 177.1(10) . .
C17 C18 C19 C20 2.6(17) . .
C18 C19 C20 C21 -3.0(18) . .
C18 C19 C20 I2 -176.7(9) . .
C19 C20 C21 C22 2.4(18) . .
I2 C20 C21 C22 176.1(9) . .
C20 C21 C22 C17 -1.6(18) . .
C18 C17 C22 C21 1.2(16) . .
C10 C17 C22 C21 -177.6(10) . .
Sn1 O1 C23 O2 45.2(15) . .
Sn1 O1 C23 C24 -133.8(7) . .
O2 C23 C24 C29 -168.5(11) . .
O1 C23 C24 C29 10.5(14) . .
O2 C23 C24 C25 12.2(16) . .
O1 C23 C24 C25 -168.8(9) . .
C29 C24 C25 C26 1.8(17) . .
C23 C24 C25 C26 -178.9(11) . .
C24 C25 C26 C27 1.1(19) . .
C24 C25 C26 Br1 -178.3(8) . .
C25 C26 C27 C28 -1.8(19) . .
Br1 C26 C27 C28 177.6(8) . .
C26 C27 C28 C29 -0.4(17) . .
C26 C27 C28 Br2 179.4(9) . .
C25 C24 C29 C28 -3.9(17) . .
C23 C24 C29 C28 176.8(10) . .
C27 C28 C29 C24 3.2(18) . .
Br2 C28 C29 C24 -176.6(8) . .
