#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:55:33 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/21/7232120.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_7232120
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 Cl4 I4 N4 O4 Sn'
_chemical_formula_weight         1614.95
_chemical_name_common            3,5-Dichloromobenzoate-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                98.367(5)
_cell_angle_beta                 101.545(5)
_cell_angle_gamma                96.724(4)
_cell_formula_units_Z            1
_cell_length_a                   8.8373(5)
_cell_length_b                   10.7391(6)
_cell_length_c                   14.9694(9)
_cell_measurement_reflns_used    5756
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.0050
_cell_measurement_theta_min      3.6760
_cell_volume                     1361.35(14)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0622
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_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            14068
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.221
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.985
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88070
_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    1.970
_exptl_crystal_description       Block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.711
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.175
_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     340
_refine_ls_number_reflns         4775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0588
_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)+(0.1025P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1507
_refine_ls_wR_factor_ref         0.1655
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3290
_reflns_number_total             4775
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01877d2.cif
_cod_data_source_block           shelx_CCDC4
_cod_depositor_comments
'Adding full bibliography for 7232116--7232123.cif.'
_cod_database_code               7232120
_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   0.534
_shelx_estimated_absorpt_t_max   0.616
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 0.000000 0.500000 0.500000 0.0381(2) Uani 1 2 d S . P
Cl1 Cl 0.2032(4) 0.4228(3) 0.0957(2) 0.1084(10) Uani 1 1 d . . .
Cl2 Cl 0.0872(5) 0.9026(4) 0.0892(3) 0.1531(16) Uani 1 1 d . . .
I1 I 0.77562(6) -0.05104(5) 0.37755(4) 0.0586(2) Uani 1 1 d . . .
I2 I 0.62235(10) 0.82089(8) 1.12840(5) 0.1072(3) Uani 1 1 d . . .
N1 N -0.0006(6) 0.3505(5) 0.3931(4) 0.0399(13) Uani 1 1 d . . .
N2 N 0.2134(6) 0.4629(5) 0.5713(4) 0.0408(13) Uani 1 1 d . . .
O1 O 0.1210(5) 0.6034(4) 0.4220(3) 0.0494(12) Uani 1 1 d . . .
O2 O 0.0220(7) 0.7839(6) 0.4128(4) 0.0741(16) Uani 1 1 d . . .
C1 C -0.1009(8) 0.3259(6) 0.3089(5) 0.0447(17) Uani 1 1 d . . .
C2 C -0.0449(8) 0.2386(7) 0.2459(5) 0.0497(18) Uani 1 1 d . . .
H2A H -0.093557 0.204133 0.184783 0.060 Uiso 1 1 calc R U .
C3 C 0.0936(9) 0.2168(7) 0.2938(5) 0.0545(19) Uani 1 1 d . . .
H3A H 0.158716 0.164732 0.270370 0.065 Uiso 1 1 calc R U .
C4 C 0.1239(8) 0.2866(6) 0.3862(5) 0.0425(16) Uani 1 1 d . . .
C5 C 0.2593(7) 0.2932(6) 0.4540(5) 0.0382(15) Uani 1 1 d . . .
C6 C 0.2965(8) 0.3724(6) 0.5407(5) 0.0407(16) Uani 1 1 d . . .
C7 C 0.4302(8) 0.3758(6) 0.6146(5) 0.0473(17) Uani 1 1 d . . .
H7A H 0.507632 0.324453 0.613036 0.057 Uiso 1 1 calc R U .
C8 C 0.4247(8) 0.4662(6) 0.6871(5) 0.0464(17) Uani 1 1 d . . .
H8A H 0.497340 0.488832 0.743232 0.056 Uiso 1 1 calc R U .
C9 C 0.2855(7) 0.5198(6) 0.6601(5) 0.0407(16) Uani 1 1 d . . .
C10 C 0.2372(7) 0.6182(6) 0.7176(5) 0.0409(16) Uani 1 1 d . . .
C11 C 0.3765(7) 0.2100(6) 0.4321(4) 0.0423(17) Uani 1 1 d . . .
C12 C 0.5312(8) 0.2630(6) 0.4418(5) 0.0477(18) Uani 1 1 d . . .
H12A H 0.561082 0.350412 0.460462 0.057 Uiso 1 1 calc R U .
C13 C 0.6419(8) 0.1862(7) 0.4239(5) 0.0508(18) Uani 1 1 d . . .
H13A H 0.745709 0.221967 0.431610 0.061 Uiso 1 1 calc R U .
C14 C 0.5985(8) 0.0609(7) 0.3955(5) 0.0458(17) Uani 1 1 d . . .
C15 C 0.4455(8) 0.0026(7) 0.3838(5) 0.0491(18) Uani 1 1 d . . .
H15A H 0.417829 -0.084765 0.363665 0.059 Uiso 1 1 calc R U .
C16 C 0.3348(8) 0.0781(7) 0.4029(5) 0.0487(18) Uani 1 1 d . . .
H16A H 0.231884 0.040795 0.396269 0.058 Uiso 1 1 calc R U .
C17 C 0.3330(8) 0.6634(7) 0.8115(5) 0.0502(19) Uani 1 1 d . . .
C18 C 0.3339(9) 0.5903(8) 0.8790(6) 0.060(2) Uani 1 1 d . . .
H18A H 0.276908 0.508734 0.864210 0.072 Uiso 1 1 calc R U .
C19 C 0.4163(10) 0.6341(9) 0.9677(6) 0.070(2) Uani 1 1 d . . .
H19A H 0.411041 0.584226 1.013203 0.083 Uiso 1 1 calc R U .
C20 C 0.5083(10) 0.7536(9) 0.9899(5) 0.062(2) Uani 1 1 d . . .
C21 C 0.5110(11) 0.8252(9) 0.9243(7) 0.081(3) Uani 1 1 d . . .
H21A H 0.571519 0.905299 0.938531 0.097 Uiso 1 1 calc R U .
C22 C 0.4241(10) 0.7807(8) 0.8354(6) 0.068(2) Uani 1 1 d . . .
H22A H 0.427448 0.831760 0.790473 0.082 Uiso 1 1 calc R U .
C23 C 0.0786(8) 0.6962(7) 0.3798(5) 0.0487(18) Uani 1 1 d . . .
C24 C 0.1079(9) 0.6847(8) 0.2836(6) 0.0555(19) Uani 1 1 d . . .
C25 C 0.1430(8) 0.5757(8) 0.2397(6) 0.061(2) Uani 1 1 d . . .
H25A H 0.156703 0.507974 0.271253 0.073 Uiso 1 1 calc R U .
C26 C 0.1585(11) 0.5637(9) 0.1496(7) 0.077(3) Uani 1 1 d . . .
C27 C 0.1391(12) 0.6677(11) 0.1027(7) 0.090(3) Uani 1 1 d . . .
H27A H 0.150859 0.662351 0.041988 0.108 Uiso 1 1 calc R U .
C28 C 0.1030(11) 0.7760(10) 0.1477(7) 0.082(3) Uani 1 1 d . . .
C29 C 0.0842(10) 0.7844(9) 0.2360(7) 0.078(3) Uani 1 1 d . . .
H29A H 0.055130 0.857767 0.264730 0.093 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'
Cl Cl 0.1484 0.1585 '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
O1 Sn1 O1 180.00(18) 2_566 .
O1 Sn1 N2 91.4(2) 2_566 .
O1 Sn1 N2 88.6(2) . .
O1 Sn1 N2 88.6(2) 2_566 2_566
O1 Sn1 N2 91.4(2) . 2_566
N2 Sn1 N2 180.0 . 2_566
O1 Sn1 N1 98.02(19) 2_566 .
O1 Sn1 N1 81.98(19) . .
N2 Sn1 N1 89.5(2) . .
N2 Sn1 N1 90.5(2) 2_566 .
O1 Sn1 N1 81.98(19) 2_566 2_566
O1 Sn1 N1 98.02(19) . 2_566
N2 Sn1 N1 90.5(2) . 2_566
N2 Sn1 N1 89.5(2) 2_566 2_566
N1 Sn1 N1 180.0 . 2_566
C1 N1 C4 107.8(5) . .
C1 N1 Sn1 125.2(4) . .
C4 N1 Sn1 124.6(4) . .
C6 N2 C9 109.4(5) . .
C6 N2 Sn1 126.0(4) . .
C9 N2 Sn1 124.4(4) . .
C23 O1 Sn1 128.2(4) . .
N1 C1 C10 126.8(6) . 2_566
N1 C1 C2 110.0(6) . .
C10 C1 C2 123.2(7) 2_566 .
C3 C2 C1 105.7(6) . .
C3 C2 H2A 127.2 . .
C1 C2 H2A 127.2 . .
C2 C3 C4 109.1(6) . .
C2 C3 H3A 125.4 . .
C4 C3 H3A 125.4 . .
N1 C4 C5 127.0(6) . .
N1 C4 C3 107.3(6) . .
C5 C4 C3 125.6(6) . .
C4 C5 C6 125.5(6) . .
C4 C5 C11 117.5(6) . .
C6 C5 C11 117.0(6) . .
N2 C6 C5 126.4(6) . .
N2 C6 C7 106.6(6) . .
C5 C6 C7 127.0(6) . .
C8 C7 C6 109.0(6) . .
C8 C7 H7A 125.5 . .
C6 C7 H7A 125.5 . .
C7 C8 C9 106.5(6) . .
C7 C8 H8A 126.8 . .
C9 C8 H8A 126.8 . .
N2 C9 C10 127.7(6) . .
N2 C9 C8 108.5(6) . .
C10 C9 C8 123.8(6) . .
C1 C10 C9 124.5(6) 2_566 .
C1 C10 C17 117.6(6) 2_566 .
C9 C10 C17 117.9(6) . .
C12 C11 C16 118.4(6) . .
C12 C11 C5 119.9(6) . .
C16 C11 C5 121.7(6) . .
C11 C12 C13 120.4(6) . .
C11 C12 H12A 119.8 . .
C13 C12 H12A 119.8 . .
C14 C13 C12 119.8(7) . .
C14 C13 H13A 120.1 . .
C12 C13 H13A 120.1 . .
C13 C14 C15 122.4(6) . .
C13 C14 I1 117.6(5) . .
C15 C14 I1 119.9(5) . .
C16 C15 C14 118.2(6) . .
C16 C15 H15A 120.9 . .
C14 C15 H15A 120.9 . .
C15 C16 C11 120.7(6) . .
C15 C16 H16A 119.6 . .
C11 C16 H16A 119.6 . .
C18 C17 C22 117.2(7) . .
C18 C17 C10 121.2(7) . .
C22 C17 C10 121.6(7) . .
C19 C18 C17 121.6(8) . .
C19 C18 H18A 119.2 . .
C17 C18 H18A 119.2 . .
C18 C19 C20 119.8(8) . .
C18 C19 H19A 120.1 . .
C20 C19 H19A 120.1 . .
C21 C20 C19 119.3(8) . .
C21 C20 I2 122.1(7) . .
C19 C20 I2 118.4(6) . .
C20 C21 C22 120.2(9) . .
C20 C21 H21A 119.9 . .
C22 C21 H21A 119.9 . .
C17 C22 C21 121.8(8) . .
C17 C22 H22A 119.1 . .
C21 C22 H22A 119.1 . .
O2 C23 O1 125.0(7) . .
O2 C23 C24 121.8(7) . .
O1 C23 C24 113.2(6) . .
C25 C24 C29 119.3(8) . .
C25 C24 C23 121.9(7) . .
C29 C24 C23 118.5(7) . .
C24 C25 C26 121.2(8) . .
C24 C25 H25A 119.4 . .
C26 C25 H25A 119.4 . .
C25 C26 C27 118.9(9) . .
C25 C26 Cl1 119.9(8) . .
C27 C26 Cl1 121.2(8) . .
C28 C27 C26 119.1(9) . .
C28 C27 H27A 120.5 . .
C26 C27 H27A 120.5 . .
C29 C28 C27 120.9(9) . .
C29 C28 Cl2 121.6(8) . .
C27 C28 Cl2 117.5(8) . .
C28 C29 C24 120.5(8) . .
C28 C29 H29A 119.7 . .
C24 C29 H29A 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.083(4) 2_566
Sn1 O1 2.083(4) .
Sn1 N2 2.085(5) .
Sn1 N2 2.085(5) 2_566
Sn1 N1 2.094(5) .
Sn1 N1 2.094(5) 2_566
Cl1 C26 1.735(9) .
Cl2 C28 1.725(9) .
I1 C14 2.117(6) .
I2 C20 2.096(7) .
N1 C1 1.359(9) .
N1 C4 1.377(8) .
N2 C6 1.366(8) .
N2 C9 1.371(8) .
O1 C23 1.307(8) .
O2 C23 1.205(8) .
C1 C10 1.420(9) 2_566
C1 C2 1.432(9) .
C2 C3 1.354(10) .
C2 H2A 0.9300 .
C3 C4 1.432(9) .
C3 H3A 0.9300 .
C4 C5 1.393(9) .
C5 C6 1.400(9) .
C5 C11 1.499(8) .
C6 C7 1.441(10) .
C7 C8 1.359(9) .
C7 H7A 0.9300 .
C8 C9 1.429(9) .
C8 H8A 0.9300 .
C9 C10 1.424(9) .
C10 C17 1.469(10) .
C11 C12 1.389(9) .
C11 C16 1.402(9) .
C12 C13 1.393(9) .
C12 H12A 0.9300 .
C13 C14 1.336(10) .
C13 H13A 0.9300 .
C14 C15 1.388(10) .
C15 C16 1.388(9) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.366(10) .
C17 C22 1.370(11) .
C18 C19 1.366(11) .
C18 H18A 0.9300 .
C19 C20 1.394(12) .
C19 H19A 0.9300 .
C20 C21 1.334(12) .
C21 C22 1.383(11) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.504(10) .
C24 C25 1.356(11) .
C24 C29 1.384(11) .
C25 C26 1.372(11) .
C25 H25A 0.9300 .
C26 C27 1.412(14) .
C27 C28 1.361(13) .
C27 H27A 0.9300 .
C28 C29 1.356(13) .
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 -173.7(7) . 2_566
Sn1 N1 C1 C10 -10.9(9) . 2_566
C4 N1 C1 C2 2.9(7) . .
Sn1 N1 C1 C2 165.6(5) . .
N1 C1 C2 C3 -2.6(8) . .
C10 C1 C2 C3 174.1(7) 2_566 .
C1 C2 C3 C4 1.2(8) . .
C1 N1 C4 C5 174.5(7) . .
Sn1 N1 C4 C5 11.6(10) . .
C1 N1 C4 C3 -2.0(7) . .
Sn1 N1 C4 C3 -164.9(5) . .
C2 C3 C4 N1 0.4(8) . .
C2 C3 C4 C5 -176.2(7) . .
N1 C4 C5 C6 -3.5(11) . .
C3 C4 C5 C6 172.4(7) . .
N1 C4 C5 C11 177.3(6) . .
C3 C4 C5 C11 -6.8(10) . .
C9 N2 C6 C5 179.3(6) . .
Sn1 N2 C6 C5 4.2(9) . .
C9 N2 C6 C7 -1.3(7) . .
Sn1 N2 C6 C7 -176.5(4) . .
C4 C5 C6 N2 -5.2(11) . .
C11 C5 C6 N2 174.0(6) . .
C4 C5 C6 C7 175.6(7) . .
C11 C5 C6 C7 -5.2(10) . .
N2 C6 C7 C8 0.2(8) . .
C5 C6 C7 C8 179.6(6) . .
C6 C7 C8 C9 0.9(8) . .
C6 N2 C9 C10 -179.7(6) . .
Sn1 N2 C9 C10 -4.5(9) . .
C6 N2 C9 C8 1.9(7) . .
Sn1 N2 C9 C8 177.1(4) . .
C7 C8 C9 N2 -1.7(8) . .
C7 C8 C9 C10 179.8(6) . .
N2 C9 C10 C1 0.6(11) . 2_566
C8 C9 C10 C1 178.7(7) . 2_566
N2 C9 C10 C17 179.2(6) . .
C8 C9 C10 C17 -2.6(10) . .
C4 C5 C11 C12 126.8(7) . .
C6 C5 C11 C12 -52.5(9) . .
C4 C5 C11 C16 -54.1(9) . .
C6 C5 C11 C16 126.6(7) . .
C16 C11 C12 C13 -0.7(10) . .
C5 C11 C12 C13 178.5(6) . .
C11 C12 C13 C14 1.2(11) . .
C12 C13 C14 C15 -0.7(11) . .
C12 C13 C14 I1 -176.3(5) . .
C13 C14 C15 C16 -0.3(11) . .
I1 C14 C15 C16 175.2(5) . .
C14 C15 C16 C11 0.8(11) . .
C12 C11 C16 C15 -0.3(10) . .
C5 C11 C16 C15 -179.4(6) . .
C1 C10 C17 C18 106.4(8) 2_566 .
C9 C10 C17 C18 -72.3(9) . .
C1 C10 C17 C22 -73.0(9) 2_566 .
C9 C10 C17 C22 108.2(8) . .
C22 C17 C18 C19 2.8(11) . .
C10 C17 C18 C19 -176.6(6) . .
C17 C18 C19 C20 -3.2(12) . .
C18 C19 C20 C21 1.9(13) . .
C18 C19 C20 I2 176.6(6) . .
C19 C20 C21 C22 -0.4(14) . .
I2 C20 C21 C22 -174.9(6) . .
C18 C17 C22 C21 -1.3(12) . .
C10 C17 C22 C21 178.1(7) . .
C20 C21 C22 C17 0.1(14) . .
Sn1 O1 C23 O2 44.5(11) . .
Sn1 O1 C23 C24 -135.7(5) . .
O2 C23 C24 C25 -167.1(7) . .
O1 C23 C24 C25 13.1(10) . .
O2 C23 C24 C29 6.9(12) . .
O1 C23 C24 C29 -172.9(7) . .
C29 C24 C25 C26 1.4(12) . .
C23 C24 C25 C26 175.3(8) . .
C24 C25 C26 C27 0.7(13) . .
C24 C25 C26 Cl1 -179.9(6) . .
C25 C26 C27 C28 -1.1(14) . .
Cl1 C26 C27 C28 179.5(8) . .
C26 C27 C28 C29 -0.6(16) . .
C26 C27 C28 Cl2 177.8(8) . .
C27 C28 C29 C24 2.8(16) . .
Cl2 C28 C29 C24 -175.6(7) . .
C25 C24 C29 C28 -3.1(13) . .
C23 C24 C29 C28 -177.3(8) . .
