#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:55:33 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/21/7232118.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_7232118
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            'C66 H52 I4 N6 O10 Sn'
_chemical_formula_weight         1715.42
_chemical_name_common            3-Nitrobenzoate-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                103.991(2)
_cell_angle_beta                 95.327(2)
_cell_angle_gamma                111.000(2)
_cell_formula_units_Z            1
_cell_length_a                   11.2861(4)
_cell_length_b                   11.7958(3)
_cell_length_c                   13.3288(3)
_cell_measurement_reflns_used    13774
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.1310
_cell_measurement_theta_min      3.4130
_cell_volume                     1575.58(8)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0341
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20620
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         3.214
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.429
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63477
_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    1.808
_exptl_crystal_description       Block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.260
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         6193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0363
_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)+(0.0326P)²+1.1224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0839
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5125
_reflns_number_total             6193
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01877d2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7232116--7232123.cif.'
_cod_original_cell_volume        1575.57(8)
_cod_database_code               7232118
_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   0.593
_shelx_estimated_absorpt_t_max   0.669
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 1.000000 1.000000 0.500000 0.02696(10) Uani 1 2 d S . P
I1 I 0.60985(3) 0.73240(3) 1.07367(2) 0.06474(12) Uani 1 1 d . . .
I2 I 0.71906(3) 0.11147(2) 0.06229(2) 0.06531(12) Uani 1 1 d . . .
N1 N 0.9927(3) 1.0949(2) 0.6518(2) 0.0303(6) Uani 1 1 d . . .
N2 N 0.9233(3) 0.8238(2) 0.5303(2) 0.0299(6) Uani 1 1 d . . .
N3 N 0.3446(4) 0.7460(4) 0.4883(4) 0.0651(11) Uani 1 1 d . . .
O1 O 0.8065(2) 0.9699(2) 0.4602(2) 0.0411(6) Uani 1 1 d . . .
O2 O 0.8031(3) 1.0446(3) 0.3233(3) 0.0713(10) Uani 1 1 d . . .
O3 O 0.4118(4) 0.7293(4) 0.5564(3) 0.0891(12) Uani 1 1 d . . .
O4 O 0.2269(4) 0.7006(4) 0.4715(4) 0.1009(14) Uani 1 1 d . . .
O5 O 0.6682(4) 0.4862(3) 0.7567(3) 0.0788(10) Uani 1 1 d . . .
C1 C 1.0285(3) 1.2240(3) 0.6936(3) 0.0299(8) Uani 1 1 d . . .
C2 C 0.9921(3) 1.2450(3) 0.7941(3) 0.0344(8) Uani 1 1 d . . .
H2A H 1.006301 1.323583 0.840402 0.041 Uiso 1 1 calc R U .
C3 C 0.9336(3) 1.1309(3) 0.8104(3) 0.0342(8) Uani 1 1 d . . .
H3A H 0.898718 1.116995 0.868990 0.041 Uiso 1 1 calc R U .
C4 C 0.9348(3) 1.0360(3) 0.7221(3) 0.0302(8) Uani 1 1 d . . .
C5 C 0.8826(3) 0.9038(3) 0.7070(3) 0.0307(8) Uani 1 1 d . . .
C6 C 0.8790(3) 0.8075(3) 0.6203(3) 0.0309(8) Uani 1 1 d . . .
C7 C 0.8232(4) 0.6737(3) 0.6078(3) 0.0384(9) Uani 1 1 d . . .
H7A H 0.787296 0.636032 0.657570 0.046 Uiso 1 1 calc R U .
C8 C 0.8319(4) 0.6125(3) 0.5115(3) 0.0394(9) Uani 1 1 d . . .
H8A H 0.803102 0.524928 0.482955 0.047 Uiso 1 1 calc R U .
C9 C 0.8934(3) 0.7062(3) 0.4603(3) 0.0315(8) Uani 1 1 d . . .
C10 C 0.9148(3) 0.6830(3) 0.3568(3) 0.0303(8) Uani 1 1 d . . .
C11 C 0.8177(3) 0.8628(3) 0.7933(3) 0.0312(8) Uani 1 1 d . . .
C12 C 0.8888(4) 0.8633(4) 0.8829(3) 0.0486(10) Uani 1 1 d . . .
H12A H 0.977977 0.888647 0.890232 0.058 Uiso 1 1 calc R U .
C13 C 0.8289(4) 0.8265(4) 0.9626(3) 0.0544(11) Uani 1 1 d . . .
H13A H 0.877804 0.826830 1.022841 0.065 Uiso 1 1 calc R U .
C14 C 0.6981(4) 0.7898(3) 0.9526(3) 0.0399(9) Uani 1 1 d . . .
C15 C 0.6254(4) 0.7891(4) 0.8644(3) 0.0480(10) Uani 1 1 d . . .
H15A H 0.536307 0.764490 0.857917 0.058 Uiso 1 1 calc R U .
C16 C 0.6859(4) 0.8255(4) 0.7847(3) 0.0456(10) Uani 1 1 d . . .
H16A H 0.636505 0.824710 0.724430 0.055 Uiso 1 1 calc R U .
C17 C 0.8689(3) 0.5473(3) 0.2904(3) 0.0338(8) Uani 1 1 d . . .
C18 C 0.7831(4) 0.5063(3) 0.1951(3) 0.0382(9) Uani 1 1 d . . .
H18A H 0.753776 0.562822 0.173998 0.046 Uiso 1 1 calc R U .
C19 C 0.7405(4) 0.3820(3) 0.1307(3) 0.0445(10) Uani 1 1 d . . .
H19A H 0.683866 0.355530 0.066502 0.053 Uiso 1 1 calc R U .
C20 C 0.7829(4) 0.2987(3) 0.1629(3) 0.0431(10) Uani 1 1 d . . .
C21 C 0.8656(4) 0.3345(3) 0.2579(3) 0.0466(10) Uani 1 1 d . . .
H21A H 0.890907 0.276006 0.279699 0.056 Uiso 1 1 calc R U .
C22 C 0.9104(4) 0.4600(3) 0.3205(3) 0.0417(9) Uani 1 1 d . . .
H22A H 0.969104 0.486299 0.383594 0.050 Uiso 1 1 calc R U .
C23 C 0.7494(4) 0.9909(3) 0.3834(3) 0.0403(9) Uani 1 1 d . . .
C24 C 0.6047(4) 0.9400(3) 0.3719(3) 0.0387(9) Uani 1 1 d . . .
C25 C 0.5433(4) 0.8691(3) 0.4355(3) 0.0435(9) Uani 1 1 d . . .
H25A H 0.591603 0.852982 0.486604 0.052 Uiso 1 1 calc R U .
C26 C 0.4101(4) 0.8228(4) 0.4221(4) 0.0488(10) Uani 1 1 d . . .
C27 C 0.3361(4) 0.8446(4) 0.3472(4) 0.0604(12) Uani 1 1 d . . .
H27A H 0.246485 0.813150 0.339320 0.073 Uiso 1 1 calc R U .
C28 C 0.3972(5) 0.9136(5) 0.2844(4) 0.0649(13) Uani 1 1 d . . .
H28A H 0.348039 0.928305 0.232877 0.078 Uiso 1 1 calc R U .
C29 C 0.5298(4) 0.9617(4) 0.2959(3) 0.0535(11) Uani 1 1 d . . .
H29A H 0.569367 1.008828 0.252672 0.064 Uiso 1 1 calc R U .
C30 C 0.7164(6) 0.4656(6) 0.8494(5) 0.0849(17) Uani 1 1 d . . .
H30A H 0.678320 0.375879 0.843733 0.102 Uiso 1 1 calc R U .
H30B H 0.693377 0.511897 0.909704 0.102 Uiso 1 1 calc R U .
C31 C 0.8582(7) 0.5093(7) 0.8640(6) 0.123(3) Uani 1 1 d . . .
H31A H 0.891103 0.495395 0.927000 0.185 Uiso 1 1 calc R U .
H31B H 0.880498 0.462694 0.804441 0.185 Uiso 1 1 calc R U .
H31C H 0.895515 0.598344 0.870234 0.185 Uiso 1 1 calc R U .
C32 C 0.5333(6) 0.4511(5) 0.7414(5) 0.0809(17) Uani 1 1 d . . .
H32A H 0.511903 0.500357 0.800983 0.097 Uiso 1 1 calc R U .
H32B H 0.490496 0.361806 0.736230 0.097 Uiso 1 1 calc R U .
C33 C 0.4883(6) 0.4739(6) 0.6443(5) 0.103(2) Uani 1 1 d . . .
H33A H 0.396308 0.449944 0.633866 0.155 Uiso 1 1 calc R U .
H33B H 0.530289 0.562479 0.650026 0.155 Uiso 1 1 calc R U .
H33C H 0.508938 0.424290 0.585442 0.155 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'
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 180.0 . 2_776
O1 Sn1 N1 86.07(11) . .
O1 Sn1 N1 93.93(11) 2_776 .
O1 Sn1 N1 93.93(11) . 2_776
O1 Sn1 N1 86.07(11) 2_776 2_776
N1 Sn1 N1 180.0 . 2_776
O1 Sn1 N2 83.62(10) . .
O1 Sn1 N2 96.38(10) 2_776 .
N1 Sn1 N2 91.01(10) . .
N1 Sn1 N2 88.99(10) 2_776 .
O1 Sn1 N2 96.38(10) . 2_776
O1 Sn1 N2 83.62(10) 2_776 2_776
N1 Sn1 N2 88.99(10) . 2_776
N1 Sn1 N2 91.01(10) 2_776 2_776
N2 Sn1 N2 180.0 . 2_776
C4 N1 C1 108.3(3) . .
C4 N1 Sn1 124.6(2) . .
C1 N1 Sn1 126.6(2) . .
C6 N2 C9 108.6(3) . .
C6 N2 Sn1 124.3(2) . .
C9 N2 Sn1 126.6(2) . .
O4 N3 O3 123.4(4) . .
O4 N3 C26 118.5(5) . .
O3 N3 C26 118.1(4) . .
C23 O1 Sn1 129.1(2) . .
C32 O5 C30 111.7(4) . .
N1 C1 C10 125.8(3) . 2_776
N1 C1 C2 107.5(3) . .
C10 C1 C2 126.7(3) 2_776 .
C3 C2 C1 108.2(3) . .
C3 C2 H2A 125.9 . .
C1 C2 H2A 125.9 . .
C2 C3 C4 107.9(3) . .
C2 C3 H3A 126.1 . .
C4 C3 H3A 126.1 . .
N1 C4 C5 125.5(3) . .
N1 C4 C3 108.2(3) . .
C5 C4 C3 126.3(3) . .
C6 C5 C4 127.9(3) . .
C6 C5 C11 116.9(3) . .
C4 C5 C11 115.1(3) . .
N2 C6 C5 126.1(3) . .
N2 C6 C7 107.9(3) . .
C5 C6 C7 125.9(3) . .
C8 C7 C6 107.9(3) . .
C8 C7 H7A 126.1 . .
C6 C7 H7A 126.1 . .
C7 C8 C9 108.1(3) . .
C7 C8 H8A 126.0 . .
C9 C8 H8A 126.0 . .
N2 C9 C10 125.8(3) . .
N2 C9 C8 107.4(3) . .
C10 C9 C8 126.8(3) . .
C9 C10 C1 126.1(3) . 2_776
C9 C10 C17 117.9(3) . .
C1 C10 C17 115.9(3) 2_776 .
C12 C11 C16 118.5(3) . .
C12 C11 C5 120.8(3) . .
C16 C11 C5 120.7(3) . .
C11 C12 C13 120.7(4) . .
C11 C12 H12A 119.7 . .
C13 C12 H12A 119.7 . .
C14 C13 C12 120.0(4) . .
C14 C13 H13A 120.0 . .
C12 C13 H13A 120.0 . .
C13 C14 C15 120.5(3) . .
C13 C14 I1 119.1(3) . .
C15 C14 I1 120.4(3) . .
C14 C15 C16 119.3(4) . .
C14 C15 H15A 120.4 . .
C16 C15 H15A 120.4 . .
C11 C16 C15 121.1(4) . .
C11 C16 H16A 119.4 . .
C15 C16 H16A 119.4 . .
C18 C17 C22 118.3(3) . .
C18 C17 C10 119.3(3) . .
C22 C17 C10 122.3(3) . .
C17 C18 C19 120.9(3) . .
C17 C18 H18A 119.6 . .
C19 C18 H18A 119.6 . .
C20 C19 C18 119.2(4) . .
C20 C19 H19A 120.4 . .
C18 C19 H19A 120.4 . .
C19 C20 C21 121.8(3) . .
C19 C20 I2 118.4(3) . .
C21 C20 I2 119.8(3) . .
C20 C21 C22 118.5(4) . .
C20 C21 H21A 120.7 . .
C22 C21 H21A 120.7 . .
C21 C22 C17 121.2(4) . .
C21 C22 H22A 119.4 . .
C17 C22 H22A 119.4 . .
O2 C23 O1 125.2(4) . .
O2 C23 C24 121.5(4) . .
O1 C23 C24 113.4(3) . .
C29 C24 C25 118.9(4) . .
C29 C24 C23 120.1(4) . .
C25 C24 C23 121.0(4) . .
C26 C25 C24 119.5(4) . .
C26 C25 H25A 120.3 . .
C24 C25 H25A 120.3 . .
C27 C26 C25 121.6(4) . .
C27 C26 N3 118.8(4) . .
C25 C26 N3 119.6(4) . .
C28 C27 C26 118.6(4) . .
C28 C27 H27A 120.7 . .
C26 C27 H27A 120.7 . .
C27 C28 C29 121.3(4) . .
C27 C28 H28A 119.3 . .
C29 C28 H28A 119.3 . .
C28 C29 C24 120.1(4) . .
C28 C29 H29A 119.9 . .
C24 C29 H29A 119.9 . .
O5 C30 C31 109.4(5) . .
O5 C30 H30A 109.8 . .
C31 C30 H30A 109.8 . .
O5 C30 H30B 109.8 . .
C31 C30 H30B 109.8 . .
H30A C30 H30B 108.2 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
O5 C32 C33 109.5(5) . .
O5 C32 H32A 109.8 . .
C33 C32 H32A 109.8 . .
O5 C32 H32B 109.8 . .
C33 C32 H32B 109.8 . .
H32A C32 H32B 108.2 . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.077(2) .
Sn1 O1 2.077(2) 2_776
Sn1 N1 2.087(3) .
Sn1 N1 2.087(3) 2_776
Sn1 N2 2.101(3) .
Sn1 N2 2.101(3) 2_776
I1 C14 2.098(3) .
I2 C20 2.108(4) .
N1 C4 1.376(4) .
N1 C1 1.379(4) .
N2 C6 1.370(4) .
N2 C9 1.375(4) .
N3 O4 1.215(5) .
N3 O3 1.227(5) .
N3 C26 1.474(6) .
O1 C23 1.280(4) .
O2 C23 1.213(4) .
O5 C32 1.407(6) .
O5 C30 1.412(6) .
C1 C10 1.413(4) 2_776
C1 C2 1.428(5) .
C2 C3 1.351(5) .
C2 H2A 0.9300 .
C3 C4 1.419(5) .
C3 H3A 0.9300 .
C4 C5 1.409(5) .
C5 C6 1.397(5) .
C5 C11 1.505(4) .
C6 C7 1.434(5) .
C7 C8 1.343(5) .
C7 H7A 0.9300 .
C8 C9 1.439(5) .
C8 H8A 0.9300 .
C9 C10 1.402(5) .
C10 C17 1.499(4) .
C11 C12 1.374(5) .
C11 C16 1.376(5) .
C12 C13 1.385(5) .
C12 H12A 0.9300 .
C13 C14 1.364(6) .
C13 H13A 0.9300 .
C14 C15 1.366(5) .
C15 C16 1.387(5) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.387(5) .
C17 C22 1.398(5) .
C18 C19 1.388(5) .
C18 H18A 0.9300 .
C19 C20 1.372(5) .
C19 H19A 0.9300 .
C20 C21 1.375(6) .
C21 C22 1.390(5) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.503(5) .
C24 C29 1.389(6) .
C24 C25 1.391(5) .
C25 C26 1.380(6) .
C25 H25A 0.9300 .
C26 C27 1.372(6) .
C27 C28 1.369(6) .
C27 H27A 0.9300 .
C28 C29 1.375(6) .
C28 H28A 0.9300 .
C29 H29A 0.9300 .
C30 C31 1.472(9) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.466(8) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
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 -176.7(3) . 2_776
Sn1 N1 C1 C10 -4.7(5) . 2_776
C4 N1 C1 C2 0.7(4) . .
Sn1 N1 C1 C2 172.7(2) . .
N1 C1 C2 C3 -1.4(4) . .
C10 C1 C2 C3 176.0(3) 2_776 .
C1 C2 C3 C4 1.5(4) . .
C1 N1 C4 C5 178.6(3) . .
Sn1 N1 C4 C5 6.4(5) . .
C1 N1 C4 C3 0.3(4) . .
Sn1 N1 C4 C3 -172.0(2) . .
C2 C3 C4 N1 -1.1(4) . .
C2 C3 C4 C5 -179.5(3) . .
N1 C4 C5 C6 0.2(6) . .
C3 C4 C5 C6 178.3(4) . .
N1 C4 C5 C11 -176.7(3) . .
C3 C4 C5 C11 1.4(5) . .
C9 N2 C6 C5 -175.2(3) . .
Sn1 N2 C6 C5 -3.0(5) . .
C9 N2 C6 C7 2.3(4) . .
Sn1 N2 C6 C7 174.5(2) . .
C4 C5 C6 N2 -2.1(6) . .
C11 C5 C6 N2 174.8(3) . .
C4 C5 C6 C7 -179.1(4) . .
C11 C5 C6 C7 -2.3(5) . .
N2 C6 C7 C8 -1.3(4) . .
C5 C6 C7 C8 176.2(4) . .
C6 C7 C8 C9 -0.1(4) . .
C6 N2 C9 C10 175.4(3) . .
Sn1 N2 C9 C10 3.3(5) . .
C6 N2 C9 C8 -2.3(4) . .
Sn1 N2 C9 C8 -174.3(2) . .
C7 C8 C9 N2 1.5(4) . .
C7 C8 C9 C10 -176.2(4) . .
N2 C9 C10 C1 0.5(6) . 2_776
C8 C9 C10 C1 177.8(4) . 2_776
N2 C9 C10 C17 -176.8(3) . .
C8 C9 C10 C17 0.5(5) . .
C6 C5 C11 C12 99.0(4) . .
C4 C5 C11 C12 -83.8(4) . .
C6 C5 C11 C16 -81.9(4) . .
C4 C5 C11 C16 95.4(4) . .
C16 C11 C12 C13 0.3(6) . .
C5 C11 C12 C13 179.5(4) . .
C11 C12 C13 C14 -0.3(7) . .
C12 C13 C14 C15 -0.1(6) . .
C12 C13 C14 I1 179.3(3) . .
C13 C14 C15 C16 0.4(6) . .
I1 C14 C15 C16 -179.0(3) . .
C12 C11 C16 C15 0.0(6) . .
C5 C11 C16 C15 -179.2(3) . .
C14 C15 C16 C11 -0.3(6) . .
C9 C10 C17 C18 122.8(4) . .
C1 C10 C17 C18 -54.7(4) 2_776 .
C9 C10 C17 C22 -57.7(5) . .
C1 C10 C17 C22 124.7(4) 2_776 .
C22 C17 C18 C19 -0.6(5) . .
C10 C17 C18 C19 178.8(3) . .
C17 C18 C19 C20 0.8(6) . .
C18 C19 C20 C21 0.7(6) . .
C18 C19 C20 I2 -179.0(3) . .
C19 C20 C21 C22 -2.4(6) . .
I2 C20 C21 C22 177.3(3) . .
C20 C21 C22 C17 2.6(6) . .
C18 C17 C22 C21 -1.1(6) . .
C10 C17 C22 C21 179.5(3) . .
Sn1 O1 C23 O2 -7.1(6) . .
Sn1 O1 C23 C24 172.0(2) . .
O2 C23 C24 C29 -4.5(6) . .
O1 C23 C24 C29 176.3(3) . .
O2 C23 C24 C25 174.4(4) . .
O1 C23 C24 C25 -4.7(5) . .
C29 C24 C25 C26 -0.4(6) . .
C23 C24 C25 C26 -179.4(4) . .
C24 C25 C26 C27 0.2(6) . .
C24 C25 C26 N3 179.1(3) . .
O4 N3 C26 C27 2.7(6) . .
O3 N3 C26 C27 -178.6(4) . .
O4 N3 C26 C25 -176.2(4) . .
O3 N3 C26 C25 2.5(6) . .
C25 C26 C27 C28 0.3(7) . .
N3 C26 C27 C28 -178.6(4) . .
C26 C27 C28 C29 -0.6(7) . .
C27 C28 C29 C24 0.4(7) . .
C25 C24 C29 C28 0.1(6) . .
C23 C24 C29 C28 179.1(4) . .
C32 O5 C30 C31 -177.4(5) . .
C30 O5 C32 C33 -179.9(5) . .
