#------------------------------------------------------------------------------
#$Date: 2020-06-27 04:37:00 +0300 (Sat, 27 Jun 2020) $
#$Revision: 253505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/07/7240786.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_7240786
loop_
_publ_author_name
'Rani, Jyoti'
'Arora, Ashim'
'Ahmed, J. Irshad'
'Adhikari, Debashis'
'Natarajan, Palani'
'Venugopalan, P.'
'Patra, Ranjan'
_publ_section_title
;
 Nature of Fluorine Interactions in ‘Wheel and Axle’
 Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and
 Theoretical Analysis
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00333F
_journal_year                    2020
_chemical_formula_sum            'C54 H32 F2 N8 O4 Sn'
_chemical_formula_weight         1013.56
_chemical_name_common            m-fluorobenzoate-tin-porphrin
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-06-02 deposited with the CCDC.	2020-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.019(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.3030(3)
_cell_length_b                   19.0612(5)
_cell_length_c                   11.2798(3)
_cell_measurement_reflns_used    12557
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.288
_cell_measurement_theta_min      3.577
_cell_volume                     2193.55(10)
_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    XP
_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  0.0296
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_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            19083
_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         25.997
_diffrn_reflns_theta_min         3.297
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.78529
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       'Elongated block'
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4295
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0581P)²+0.9423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1058
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3386
_reflns_number_total             4295
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00333f2.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7240786
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Sn1 Sn 0.500000 0.500000 0.500000 0.03776(12) Uani 1 2 d S . P . .
F1 F 0.0366(3) 0.19203(17) 0.6561(3) 0.1353(11) Uani 1 1 d . . . . .
O1 O 0.4245(2) 0.40961(11) 0.57723(17) 0.0484(5) Uani 1 1 d . U . . .
O2 O 0.2179(3) 0.40862(14) 0.4904(2) 0.0735(7) Uani 1 1 d . . . . .
N1 N 0.3406(2) 0.56194(12) 0.53150(19) 0.0407(5) Uani 1 1 d . . . . .
N2 N 0.4080(2) 0.47728(14) 0.3278(2) 0.0418(5) Uani 1 1 d . . . . .
N3 N -0.1682(4) 0.5864(3) 0.1265(3) 0.0924(12) Uani 1 1 d . . . . .
N4 N 0.6734(4) 0.29076(19) -0.0466(3) 0.0822(10) Uani 1 1 d . . . . .
C1 C 0.3263(3) 0.59503(15) 0.6371(2) 0.0406(6) Uani 1 1 d . . . . .
C2 C 0.1976(3) 0.62435(17) 0.6236(3) 0.0505(7) Uani 1 1 d . . . . .
H2A H 0.161364 0.649692 0.681394 0.061 Uiso 1 1 calc R U . . .
C3 C 0.1379(3) 0.60899(16) 0.5131(3) 0.0495(7) Uani 1 1 d . . . . .
H3A H 0.052966 0.621583 0.481082 0.059 Uiso 1 1 calc R U . . .
C4 C 0.2267(3) 0.57037(16) 0.4540(3) 0.0418(7) Uani 1 1 d . . . . .
C5 C 0.2024(3) 0.54326(15) 0.3361(2) 0.0423(7) Uani 1 1 d . . . . .
C6 C 0.2842(3) 0.50025(13) 0.2800(3) 0.0411(7) Uani 1 1 d . . . . .
C7 C 0.2561(3) 0.47121(18) 0.1621(2) 0.0484(7) Uani 1 1 d . . . . .
H7A H 0.179589 0.478210 0.109147 0.058 Uiso 1 1 calc R U . . .
C8 C 0.3588(3) 0.43222(16) 0.1410(2) 0.0486(7) Uani 1 1 d . . . . .
H8A H 0.365392 0.407185 0.071331 0.058 Uiso 1 1 calc R U . . .
C9 C 0.4567(3) 0.43587(15) 0.2447(2) 0.0414(6) Uani 1 1 d . . . . .
C10 C 0.5798(3) 0.40344(14) 0.2599(2) 0.0416(6) Uani 1 1 d . . . . .
C11 C 0.0728(3) 0.56093(16) 0.2657(2) 0.0466(7) Uani 1 1 d . . . . .
C12 C -0.0308(5) 0.5192(3) 0.2658(6) 0.116(2) Uani 1 1 d . . . . .
H12A H -0.024464 0.479040 0.312972 0.139 Uiso 1 1 calc R U . . .
C13 C -0.1475(5) 0.5356(4) 0.1959(6) 0.133(2) Uani 1 1 d . . . . .
H13A H -0.217789 0.505672 0.201085 0.159 Uiso 1 1 calc R U . . .
C14 C -0.0692(5) 0.6281(3) 0.1275(4) 0.0977(16) Uani 1 1 d . . . . .
H14A H -0.080356 0.667465 0.078368 0.117 Uiso 1 1 calc R U . . .
C15 C 0.0534(4) 0.6190(2) 0.1966(4) 0.0787(11) Uani 1 1 d . . . . .
H15A H 0.119754 0.651879 0.194954 0.094 Uiso 1 1 calc R U . . .
C16 C 0.6149(3) 0.36370(16) 0.1541(2) 0.0465(7) Uani 1 1 d . . . . .
C17 C 0.6392(3) 0.29285(18) 0.1590(3) 0.0568(8) Uani 1 1 d . . . . .
H17A H 0.636692 0.267910 0.229505 0.068 Uiso 1 1 calc R U . . .
C18 C 0.6676(4) 0.2594(2) 0.0569(3) 0.0756(11) Uani 1 1 d . . . . .
H18A H 0.683700 0.211365 0.061438 0.091 Uiso 1 1 calc R U . . .
C19 C 0.6519(4) 0.3584(2) -0.0489(3) 0.0738(11) Uani 1 1 d . . . . .
H19A H 0.657419 0.381918 -0.120349 0.089 Uiso 1 1 calc R U . . .
C20 C 0.6218(3) 0.39772(18) 0.0464(3) 0.0575(8) Uani 1 1 d . . . . .
H20A H 0.606476 0.445698 0.038633 0.069 Uiso 1 1 calc R U . . .
C21 C 0.3093(3) 0.38551(18) 0.5614(3) 0.0542(8) Uani 1 1 d . U . . .
C22 C 0.2854(4) 0.32260(18) 0.6366(3) 0.0566(8) Uani 1 1 d . . . . .
C23 C 0.3728(4) 0.3043(2) 0.7362(3) 0.0771(11) Uani 1 1 d . . . . .
H23A H 0.450085 0.329516 0.756024 0.092 Uiso 1 1 calc R U . . .
C24 C 0.3442(5) 0.2475(3) 0.8070(4) 0.0887(13) Uani 1 1 d . . . . .
H24A H 0.402678 0.235196 0.874210 0.106 Uiso 1 1 calc R U . . .
C25 C 0.2335(6) 0.2108(2) 0.7787(4) 0.0899(14) Uani 1 1 d . . . . .
H25A H 0.214096 0.173158 0.825815 0.108 Uiso 1 1 calc R U . . .
C26 C 0.1498(4) 0.2296(2) 0.6797(4) 0.0772(11) Uani 1 1 d . . . . .
C27 C 0.1722(4) 0.28360(19) 0.6080(3) 0.0641(9) Uani 1 1 d . . . . .
H27A H 0.112625 0.294419 0.540755 0.077 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'
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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
N2 Sn1 N2 180.00(13) 3_666 . ?
N2 Sn1 N1 90.55(9) 3_666 3_666 ?
N2 Sn1 N1 89.45(9) . 3_666 ?
N2 Sn1 N1 89.45(9) 3_666 . ?
N2 Sn1 N1 90.55(9) . . ?
N1 Sn1 N1 180.0 3_666 . ?
N2 Sn1 O1 93.93(9) 3_666 3_666 ?
N2 Sn1 O1 86.07(9) . 3_666 ?
N1 Sn1 O1 92.71(8) 3_666 3_666 ?
N1 Sn1 O1 87.30(8) . 3_666 ?
N2 Sn1 O1 86.07(9) 3_666 . ?
N2 Sn1 O1 93.93(9) . . ?
N1 Sn1 O1 87.29(8) 3_666 . ?
N1 Sn1 O1 92.70(8) . . ?
O1 Sn1 O1 180.00(6) 3_666 . ?
C21 O1 Sn1 128.9(2) . . ?
C4 N1 C1 108.2(2) . . ?
C4 N1 Sn1 125.44(19) . . ?
C1 N1 Sn1 126.02(19) . . ?
C9 N2 C6 108.7(2) . . ?
C9 N2 Sn1 126.38(19) . . ?
C6 N2 Sn1 124.88(19) . . ?
C13 N3 C14 114.1(4) . . ?
C19 N4 C18 115.9(3) . . ?
N1 C1 C10 125.6(3) . 3_666 ?
N1 C1 C2 107.3(2) . . ?
C10 C1 C2 127.0(3) 3_666 . ?
C3 C2 C1 108.2(3) . . ?
C3 C2 H2A 125.9 . . ?
C1 C2 H2A 125.9 . . ?
C2 C3 C4 108.0(3) . . ?
C2 C3 H3A 126.0 . . ?
C4 C3 H3A 126.0 . . ?
N1 C4 C3 108.3(3) . . ?
N1 C4 C5 125.4(3) . . ?
C3 C4 C5 126.3(3) . . ?
C6 C5 C4 127.1(3) . . ?
C6 C5 C11 116.4(3) . . ?
C4 C5 C11 116.4(3) . . ?
N2 C6 C5 126.4(3) . . ?
N2 C6 C7 107.2(3) . . ?
C5 C6 C7 126.4(3) . . ?
C8 C7 C6 108.5(3) . . ?
C8 C7 H7A 125.8 . . ?
C6 C7 H7A 125.8 . . ?
C7 C8 C9 108.1(3) . . ?
C7 C8 H8A 126.0 . . ?
C9 C8 H8A 126.0 . . ?
N2 C9 C10 125.6(2) . . ?
N2 C9 C8 107.5(2) . . ?
C10 C9 C8 126.8(3) . . ?
C9 C10 C1 126.8(2) . 3_666 ?
C9 C10 C16 116.1(2) . . ?
C1 C10 C16 117.0(3) 3_666 . ?
C12 C11 C15 115.8(4) . . ?
C12 C11 C5 121.5(3) . . ?
C15 C11 C5 122.7(3) . . ?
C11 C12 C13 120.0(5) . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
N3 C13 C12 126.5(5) . . ?
N3 C13 H13A 116.8 . . ?
C12 C13 H13A 116.8 . . ?
N3 C14 C15 125.3(5) . . ?
N3 C14 H14A 117.3 . . ?
C15 C14 H14A 117.3 . . ?
C11 C15 C14 118.2(4) . . ?
C11 C15 H15A 120.9 . . ?
C14 C15 H15A 120.9 . . ?
C17 C16 C20 117.6(3) . . ?
C17 C16 C10 121.8(3) . . ?
C20 C16 C10 120.5(3) . . ?
C16 C17 C18 118.6(3) . . ?
C16 C17 H17A 120.7 . . ?
C18 C17 H17A 120.7 . . ?
N4 C18 C17 124.6(3) . . ?
N4 C18 H18A 117.7 . . ?
C17 C18 H18A 117.7 . . ?
N4 C19 C20 125.1(3) . . ?
N4 C19 H19A 117.5 . . ?
C20 C19 H19A 117.5 . . ?
C19 C20 C16 118.2(3) . . ?
C19 C20 H20A 120.9 . . ?
C16 C20 H20A 120.9 . . ?
O2 C21 O1 125.5(3) . . ?
O2 C21 C22 118.7(3) . . ?
O1 C21 C22 115.7(3) . . ?
C23 C22 C27 119.1(3) . . ?
C23 C22 C21 121.2(3) . . ?
C27 C22 C21 119.7(3) . . ?
C22 C23 C24 119.6(4) . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 H23A 120.2 . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24A 119.7 . . ?
C23 C24 H24A 119.7 . . ?
C24 C25 C26 118.6(4) . . ?
C24 C25 H25A 120.7 . . ?
C26 C25 H25A 120.7 . . ?
C27 C26 C25 123.5(4) . . ?
C27 C26 F1 119.9(4) . . ?
C25 C26 F1 116.6(4) . . ?
C26 C27 C22 118.7(4) . . ?
C26 C27 H27A 120.7 . . ?
C22 C27 H27A 120.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 N2 2.084(2) 3_666 ?
Sn1 N2 2.084(2) . ?
Sn1 N1 2.093(2) 3_666 ?
Sn1 N1 2.093(2) . ?
Sn1 O1 2.126(2) 3_666 ?
Sn1 O1 2.126(2) . ?
F1 C26 1.363(5) . ?
O1 C21 1.262(4) . ?
O2 C21 1.230(4) . ?
N1 C4 1.372(4) . ?
N1 C1 1.374(3) . ?
N2 C9 1.373(3) . ?
N2 C6 1.384(4) . ?
N3 C13 1.245(7) . ?
N3 C14 1.292(6) . ?
N4 C19 1.308(5) . ?
N4 C18 1.321(5) . ?
C1 C10 1.405(4) 3_666 ?
C1 C2 1.427(4) . ?
C2 C3 1.344(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.412(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.416(4) . ?
C5 C6 1.390(4) . ?
C5 C11 1.494(4) . ?
C6 C7 1.432(4) . ?
C7 C8 1.341(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.436(4) . ?
C8 H8A 0.9300 . ?
C9 C10 1.400(4) . ?
C10 C16 1.499(4) . ?
C11 C12 1.331(5) . ?
C11 C15 1.352(5) . ?
C12 C13 1.378(7) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.400(6) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.373(4) . ?
C16 C20 1.388(4) . ?
C17 C18 1.383(4) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.381(5) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.508(5) . ?
C22 C23 1.383(5) . ?
C22 C27 1.383(5) . ?
C23 C24 1.401(6) . ?
C23 H23A 0.9300 . ?
C24 C25 1.339(6) . ?
C24 H24A 0.9300 . ?
C25 C26 1.361(6) . ?
C25 H25A 0.9300 . ?
C26 C27 1.348(5) . ?
C27 H27A 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
_geom_torsion_publ_flag
C4 N1 C1 C10 178.1(3) . . . 3_666 ?
Sn1 N1 C1 C10 4.3(4) . . . 3_666 ?
C4 N1 C1 C2 0.5(3) . . . . ?
Sn1 N1 C1 C2 -173.3(2) . . . . ?
N1 C1 C2 C3 -0.1(4) . . . . ?
C10 C1 C2 C3 -177.6(3) 3_666 . . . ?
C1 C2 C3 C4 -0.4(4) . . . . ?
C1 N1 C4 C3 -0.8(3) . . . . ?
Sn1 N1 C4 C3 173.09(19) . . . . ?
C1 N1 C4 C5 -179.4(3) . . . . ?
Sn1 N1 C4 C5 -5.5(4) . . . . ?
C2 C3 C4 N1 0.7(4) . . . . ?
C2 C3 C4 C5 179.3(3) . . . . ?
N1 C4 C5 C6 4.2(5) . . . . ?
C3 C4 C5 C6 -174.2(3) . . . . ?
N1 C4 C5 C11 -177.9(3) . . . . ?
C3 C4 C5 C11 3.7(4) . . . . ?
C9 N2 C6 C5 180.0(3) . . . . ?
Sn1 N2 C6 C5 1.8(4) . . . . ?
C9 N2 C6 C7 0.2(3) . . . . ?
Sn1 N2 C6 C7 -178.0(2) . . . . ?
C4 C5 C6 N2 -2.2(5) . . . . ?
C11 C5 C6 N2 180.0(3) . . . . ?
C4 C5 C6 C7 177.6(3) . . . . ?
C11 C5 C6 C7 -0.3(4) . . . . ?
N2 C6 C7 C8 0.3(4) . . . . ?
C5 C6 C7 C8 -179.5(3) . . . . ?
C6 C7 C8 C9 -0.7(4) . . . . ?
C6 N2 C9 C10 179.4(3) . . . . ?
Sn1 N2 C9 C10 -2.4(4) . . . . ?
C6 N2 C9 C8 -0.6(3) . . . . ?
Sn1 N2 C9 C8 177.5(2) . . . . ?
C7 C8 C9 N2 0.8(3) . . . . ?
C7 C8 C9 C10 -179.2(3) . . . . ?
N2 C9 C10 C1 2.4(5) . . . 3_666 ?
C8 C9 C10 C1 -177.6(3) . . . 3_666 ?
N2 C9 C10 C16 -176.9(3) . . . . ?
C8 C9 C10 C16 3.2(4) . . . . ?
C6 C5 C11 C12 86.5(5) . . . . ?
C4 C5 C11 C12 -91.6(5) . . . . ?
C6 C5 C11 C15 -92.3(4) . . . . ?
C4 C5 C11 C15 89.6(4) . . . . ?
C15 C11 C12 C13 1.5(9) . . . . ?
C5 C11 C12 C13 -177.3(6) . . . . ?
C14 N3 C13 C12 -3.4(11) . . . . ?
C11 C12 C13 N3 2.1(13) . . . . ?
C13 N3 C14 C15 1.2(8) . . . . ?
C12 C11 C15 C14 -3.3(6) . . . . ?
C5 C11 C15 C14 175.5(4) . . . . ?
N3 C14 C15 C11 2.1(7) . . . . ?
C9 C10 C16 C17 -118.5(3) . . . . ?
C1 C10 C16 C17 62.2(4) 3_666 . . . ?
C9 C10 C16 C20 60.5(4) . . . . ?
C1 C10 C16 C20 -118.8(3) 3_666 . . . ?
C20 C16 C17 C18 -0.7(5) . . . . ?
C10 C16 C17 C18 178.3(3) . . . . ?
C19 N4 C18 C17 0.9(6) . . . . ?
C16 C17 C18 N4 0.1(6) . . . . ?
C18 N4 C19 C20 -1.4(7) . . . . ?
N4 C19 C20 C16 0.8(6) . . . . ?
C17 C16 C20 C19 0.3(5) . . . . ?
C10 C16 C20 C19 -178.7(3) . . . . ?
Sn1 O1 C21 O2 4.6(5) . . . . ?
Sn1 O1 C21 C22 -176.02(18) . . . . ?
O2 C21 C22 C23 -164.6(4) . . . . ?
O1 C21 C22 C23 15.9(5) . . . . ?
O2 C21 C22 C27 13.3(5) . . . . ?
O1 C21 C22 C27 -166.1(3) . . . . ?
C27 C22 C23 C24 -0.9(6) . . . . ?
C21 C22 C23 C24 177.0(4) . . . . ?
C22 C23 C24 C25 0.3(7) . . . . ?
C23 C24 C25 C26 0.3(7) . . . . ?
C24 C25 C26 C27 -0.1(7) . . . . ?
C24 C25 C26 F1 -178.3(4) . . . . ?
C25 C26 C27 C22 -0.6(6) . . . . ?
F1 C26 C27 C22 177.5(3) . . . . ?
C23 C22 C27 C26 1.1(5) . . . . ?
C21 C22 C27 C26 -176.9(3) . . . . ?
