#------------------------------------------------------------------------------
#$Date: 2020-06-27 04:37:00 +0300 (Sat, 27 Jun 2020) $
#$Revision: 253505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/07/7240787.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_7240787
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            p-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                 99.881(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.2892(2)
_cell_length_b                   18.7516(3)
_cell_length_c                   11.5557(2)
_cell_measurement_reflns_used    13925
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.218
_cell_measurement_theta_min      3.569
_cell_volume                     2196.47(7)
_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  0.0493
_diffrn_reflns_av_unetI/netI     0.0322
_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       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19400
_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         25.999
_diffrn_reflns_theta_min         3.275
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.87788
_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    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4311
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0393
_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)+(0.0801P)²+0.8943P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1258
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3587
_reflns_number_total             4311
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00333f2.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7240787
_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 0.03531(13) Uani 1 2 d S . P . .
F1 F 0.0792(3) 0.17415(17) 0.7657(4) 0.1499(15) Uani 1 1 d . . . . .
O1 O 0.3991(2) 0.41183(11) 0.55506(19) 0.0506(5) Uani 1 1 d . U . . .
O2 O 0.5548(3) 0.36830(15) 0.6891(2) 0.0757(7) Uani 1 1 d . . . . .
N1 N 0.6630(2) 0.43962(12) 0.4730(2) 0.0379(5) Uani 1 1 d . . . . .
N2 N 0.4061(2) 0.47443(14) 0.3299(2) 0.0402(5) Uani 1 1 d . . . . .
N3 N 0.6915(4) 0.29356(19) -0.0289(3) 0.0828(10) Uani 1 1 d . . . . .
N4 N -0.1747(4) 0.5928(3) 0.1225(3) 0.0903(12) Uani 1 1 d . . . . .
C1 C 0.7778(3) 0.43386(15) 0.5520(2) 0.0399(6) Uani 1 1 d . . . . .
C2 C 0.8699(3) 0.39378(17) 0.4969(3) 0.0499(7) Uani 1 1 d . . . . .
H2A H 0.955560 0.381436 0.530551 0.060 Uiso 1 1 calc R U . . .
C3 C 0.8086(3) 0.37744(17) 0.3872(3) 0.0480(7) Uani 1 1 d . . . . .
H3B H 0.845501 0.351863 0.331962 0.058 Uiso 1 1 calc R U . . .
C4 C 0.6784(3) 0.40579(14) 0.3701(2) 0.0394(6) Uani 1 1 d . . . . .
C5 C 0.5836(3) 0.40311(15) 0.2672(2) 0.0415(6) Uani 1 1 d . . . . .
C6 C 0.4573(3) 0.43431(15) 0.2496(2) 0.0414(6) Uani 1 1 d . . . . .
C7 C 0.3582(3) 0.42878(17) 0.1460(3) 0.0498(7) Uani 1 1 d . . . . .
H7A H 0.365795 0.403582 0.078174 0.060 Uiso 1 1 calc R U . . .
C8 C 0.2533(3) 0.46615(18) 0.1643(3) 0.0498(7) Uani 1 1 d . . . . .
H8A H 0.175238 0.471990 0.111143 0.060 Uiso 1 1 calc R U . . .
C9 C 0.2820(4) 0.49590(13) 0.2810(3) 0.0410(7) Uani 1 1 d . . . . .
C10 C 0.1976(3) 0.53891(15) 0.3342(2) 0.0423(6) Uani 1 1 d . . . . .
C11 C 0.6221(3) 0.36478(16) 0.1642(2) 0.0457(7) Uani 1 1 d . . . . .
C12 C 0.6244(4) 0.39970(19) 0.0590(3) 0.0596(9) Uani 1 1 d . . . . .
H12A H 0.603673 0.447943 0.051439 0.071 Uiso 1 1 calc R U . . .
C13 C 0.6573(4) 0.3628(2) -0.0335(3) 0.0746(11) Uani 1 1 d . . . . .
H13A H 0.656000 0.387018 -0.103894 0.089 Uiso 1 1 calc R U . . .
C14 C 0.6558(4) 0.29369(18) 0.1704(3) 0.0575(8) Uani 1 1 d . . . . .
H14A H 0.656363 0.267842 0.239196 0.069 Uiso 1 1 calc R U . . .
C15 C 0.6891(4) 0.2615(2) 0.0707(4) 0.0755(12) Uani 1 1 d . . . . .
H15A H 0.711432 0.213395 0.075681 0.091 Uiso 1 1 calc R U . . .
C16 C 0.0684(3) 0.55821(16) 0.2604(3) 0.0462(7) Uani 1 1 d . . . . .
C17 C -0.0453(5) 0.5225(3) 0.2689(6) 0.1034(19) Uani 1 1 d . . . . .
H17A H -0.044750 0.484528 0.320738 0.124 Uiso 1 1 calc R U . . .
C18 C -0.1622(5) 0.5443(3) 0.1984(6) 0.115(2) Uani 1 1 d . . . . .
H18A H -0.238732 0.520505 0.208575 0.138 Uiso 1 1 calc R U . . .
C19 C 0.0563(4) 0.6146(2) 0.1852(4) 0.0756(11) Uani 1 1 d . . . . .
H19A H 0.128624 0.643341 0.179535 0.091 Uiso 1 1 calc R U . . .
C20 C -0.0659(5) 0.6287(3) 0.1172(4) 0.0944(15) Uani 1 1 d . . . . .
H20A H -0.071203 0.666196 0.063985 0.113 Uiso 1 1 calc R U . . .
C21 C 0.4396(4) 0.36949(18) 0.6368(3) 0.0556(8) Uani 1 1 d . U . . .
C22 C 0.3396(4) 0.31674(17) 0.6670(3) 0.0591(9) Uani 1 1 d . . . . .
C23 C 0.2162(4) 0.3105(2) 0.6043(3) 0.0663(10) Uani 1 1 d . . . . .
H23A H 0.191226 0.339189 0.538530 0.080 Uiso 1 1 calc R U . . .
C24 C 0.1277(4) 0.2631(3) 0.6356(5) 0.0873(13) Uani 1 1 d . . . . .
H24A H 0.042613 0.259141 0.593120 0.105 Uiso 1 1 calc R U . . .
C25 C 0.1697(6) 0.2215(2) 0.7320(5) 0.0921(16) Uani 1 1 d . . . . .
C26 C 0.2931(5) 0.2256(2) 0.7992(4) 0.0835(13) Uani 1 1 d . . . . .
H26A H 0.317688 0.197066 0.865112 0.100 Uiso 1 1 calc R U . . .
C27 C 0.3763(4) 0.2729(2) 0.7647(4) 0.0734(11) Uani 1 1 d . . . . .
H27A H 0.461381 0.276550 0.807206 0.088 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 180.0 3_666 . ?
N2 Sn1 N1 90.66(9) 3_666 . ?
N2 Sn1 N1 89.34(9) . . ?
N2 Sn1 N1 89.34(9) 3_666 3_666 ?
N2 Sn1 N1 90.66(9) . 3_666 ?
N1 Sn1 N1 180.0 . 3_666 ?
N2 Sn1 O1 86.09(9) 3_666 3_666 ?
N2 Sn1 O1 93.91(9) . 3_666 ?
N1 Sn1 O1 86.00(8) . 3_666 ?
N1 Sn1 O1 94.00(8) 3_666 3_666 ?
N2 Sn1 O1 93.91(9) 3_666 . ?
N2 Sn1 O1 86.09(9) . . ?
N1 Sn1 O1 94.00(8) . . ?
N1 Sn1 O1 86.00(8) 3_666 . ?
O1 Sn1 O1 180.00(7) 3_666 . ?
C21 O1 Sn1 127.5(2) . . ?
C1 N1 C4 109.0(2) . . ?
C1 N1 Sn1 124.47(18) . . ?
C4 N1 Sn1 126.23(18) . . ?
C9 N2 C6 108.8(2) . . ?
C9 N2 Sn1 124.8(2) . . ?
C6 N2 Sn1 126.43(19) . . ?
C15 N3 C13 115.9(3) . . ?
C18 N4 C20 114.6(4) . . ?
N1 C1 C10 126.7(3) . 3_666 ?
N1 C1 C2 107.7(2) . . ?
C10 C1 C2 125.6(3) 3_666 . ?
C3 C2 C1 107.3(3) . . ?
C3 C2 H2A 126.4 . . ?
C1 C2 H2A 126.4 . . ?
C2 C3 C4 108.8(3) . . ?
C2 C3 H3B 125.6 . . ?
C4 C3 H3B 125.6 . . ?
N1 C4 C5 125.5(3) . . ?
N1 C4 C3 107.2(2) . . ?
C5 C4 C3 127.3(3) . . ?
C4 C5 C6 126.7(3) . . ?
C4 C5 C11 116.7(3) . . ?
C6 C5 C11 116.6(3) . . ?
N2 C6 C5 125.7(3) . . ?
N2 C6 C7 107.7(3) . . ?
C5 C6 C7 126.6(3) . . ?
C8 C7 C6 107.9(3) . . ?
C8 C7 H7A 126.0 . . ?
C6 C7 H7A 126.0 . . ?
C7 C8 C9 108.1(3) . . ?
C7 C8 H8A 126.0 . . ?
C9 C8 H8A 126.0 . . ?
N2 C9 C10 126.4(3) . . ?
N2 C9 C8 107.5(3) . . ?
C10 C9 C8 126.1(3) . . ?
C1 C10 C9 126.9(3) 3_666 . ?
C1 C10 C16 116.7(3) 3_666 . ?
C9 C10 C16 116.5(3) . . ?
C14 C11 C12 117.5(3) . . ?
C14 C11 C5 121.4(3) . . ?
C12 C11 C5 121.1(3) . . ?
C13 C12 C11 119.5(3) . . ?
C13 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
N3 C13 C12 123.9(3) . . ?
N3 C13 H13A 118.1 . . ?
C12 C13 H13A 118.1 . . ?
C11 C14 C15 118.1(3) . . ?
C11 C14 H14A 120.9 . . ?
C15 C14 H14A 120.9 . . ?
N3 C15 C14 125.1(4) . . ?
N3 C15 H15A 117.5 . . ?
C14 C15 H15A 117.5 . . ?
C19 C16 C17 116.1(4) . . ?
C19 C16 C10 121.8(3) . . ?
C17 C16 C10 121.9(3) . . ?
C16 C17 C18 118.6(5) . . ?
C16 C17 H17A 120.7 . . ?
C18 C17 H17A 120.7 . . ?
N4 C18 C17 126.6(5) . . ?
N4 C18 H18A 116.7 . . ?
C17 C18 H18A 116.7 . . ?
C16 C19 C20 118.9(4) . . ?
C16 C19 H19A 120.5 . . ?
C20 C19 H19A 120.5 . . ?
N4 C20 C19 124.8(4) . . ?
N4 C20 H20A 117.6 . . ?
C19 C20 H20A 117.6 . . ?
O2 C21 O1 123.3(3) . . ?
O2 C21 C22 120.6(3) . . ?
O1 C21 C22 116.0(3) . . ?
C23 C22 C27 118.8(3) . . ?
C23 C22 C21 123.0(3) . . ?
C27 C22 C21 118.2(4) . . ?
C22 C23 C24 121.4(4) . . ?
C22 C23 H23A 119.3 . . ?
C24 C23 H23A 119.3 . . ?
C23 C24 C25 117.1(4) . . ?
C23 C24 H24A 121.5 . . ?
C25 C24 H24A 121.5 . . ?
C24 C25 C26 124.1(4) . . ?
C24 C25 F1 117.3(5) . . ?
C26 C25 F1 118.5(5) . . ?
C27 C26 C25 116.5(4) . . ?
C27 C26 H26A 121.8 . . ?
C25 C26 H26A 121.8 . . ?
C26 C27 C22 122.2(4) . . ?
C26 C27 H27A 118.9 . . ?
C22 C27 H27A 118.9 . . ?
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 2.092(2) 3_666 ?
Sn1 N2 2.092(2) . ?
Sn1 N1 2.091(2) . ?
Sn1 N1 2.091(2) 3_666 ?
Sn1 O1 2.108(2) 3_666 ?
Sn1 O1 2.108(2) . ?
F1 C25 1.389(5) . ?
O1 C21 1.249(4) . ?
O2 C21 1.236(4) . ?
N1 C1 1.368(4) . ?
N1 C4 1.381(3) . ?
N2 C9 1.365(4) . ?
N2 C6 1.369(4) . ?
N3 C15 1.302(5) . ?
N3 C13 1.344(5) . ?
N4 C18 1.254(7) . ?
N4 C20 1.317(6) . ?
C1 C10 1.393(4) 3_666 ?
C1 C2 1.440(4) . ?
C2 C3 1.350(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.424(4) . ?
C3 H3B 0.9300 . ?
C4 C5 1.404(4) . ?
C5 C6 1.407(4) . ?
C5 C11 1.501(4) . ?
C6 C7 1.437(4) . ?
C7 C8 1.334(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.442(4) . ?
C8 H8A 0.9300 . ?
C9 C10 1.402(4) . ?
C10 C16 1.495(4) . ?
C11 C14 1.376(4) . ?
C11 C12 1.385(4) . ?
C12 C13 1.363(5) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.395(5) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C19 1.361(5) . ?
C16 C17 1.366(6) . ?
C17 C18 1.394(7) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.388(6) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.511(5) . ?
C22 C23 1.355(5) . ?
C22 C27 1.395(5) . ?
C23 C24 1.366(6) . ?
C23 H23A 0.9300 . ?
C24 C25 1.368(7) . ?
C24 H24A 0.9300 . ?
C25 C26 1.372(7) . ?
C26 C27 1.340(6) . ?
C26 H26A 0.9300 . ?
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 179.8(3) . . . 3_666 ?
Sn1 N1 C1 C10 6.0(4) . . . 3_666 ?
C4 N1 C1 C2 -0.6(3) . . . . ?
Sn1 N1 C1 C2 -174.43(18) . . . . ?
N1 C1 C2 C3 0.6(3) . . . . ?
C10 C1 C2 C3 -179.9(3) 3_666 . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C1 N1 C4 C5 -177.2(3) . . . . ?
Sn1 N1 C4 C5 -3.5(4) . . . . ?
C1 N1 C4 C3 0.5(3) . . . . ?
Sn1 N1 C4 C3 174.1(2) . . . . ?
C2 C3 C4 N1 -0.1(3) . . . . ?
C2 C3 C4 C5 177.5(3) . . . . ?
N1 C4 C5 C6 0.4(5) . . . . ?
C3 C4 C5 C6 -176.7(3) . . . . ?
N1 C4 C5 C11 178.6(3) . . . . ?
C3 C4 C5 C11 1.4(4) . . . . ?
C9 N2 C6 C5 179.5(3) . . . . ?
Sn1 N2 C6 C5 -0.3(4) . . . . ?
C9 N2 C6 C7 -1.7(3) . . . . ?
Sn1 N2 C6 C7 178.5(2) . . . . ?
C4 C5 C6 N2 1.6(5) . . . . ?
C11 C5 C6 N2 -176.5(3) . . . . ?
C4 C5 C6 C7 -177.0(3) . . . . ?
C11 C5 C6 C7 4.9(4) . . . . ?
N2 C6 C7 C8 1.5(4) . . . . ?
C5 C6 C7 C8 -179.7(3) . . . . ?
C6 C7 C8 C9 -0.7(4) . . . . ?
C6 N2 C9 C10 -178.8(3) . . . . ?
Sn1 N2 C9 C10 1.0(4) . . . . ?
C6 N2 C9 C8 1.3(3) . . . . ?
Sn1 N2 C9 C8 -179.0(2) . . . . ?
C7 C8 C9 N2 -0.3(4) . . . . ?
C7 C8 C9 C10 179.8(3) . . . . ?
N2 C9 C10 C1 -2.2(5) . . . 3_666 ?
C8 C9 C10 C1 177.7(3) . . . 3_666 ?
N2 C9 C10 C16 177.1(3) . . . . ?
C8 C9 C10 C16 -3.0(5) . . . . ?
C4 C5 C11 C14 60.4(4) . . . . ?
C6 C5 C11 C14 -121.2(3) . . . . ?
C4 C5 C11 C12 -119.8(3) . . . . ?
C6 C5 C11 C12 58.5(4) . . . . ?
C14 C11 C12 C13 1.1(5) . . . . ?
C5 C11 C12 C13 -178.7(3) . . . . ?
C15 N3 C13 C12 1.4(7) . . . . ?
C11 C12 C13 N3 -1.6(7) . . . . ?
C12 C11 C14 C15 -0.4(5) . . . . ?
C5 C11 C14 C15 179.3(3) . . . . ?
C13 N3 C15 C14 -0.7(7) . . . . ?
C11 C14 C15 N3 0.3(7) . . . . ?
C1 C10 C16 C19 94.8(4) 3_666 . . . ?
C9 C10 C16 C19 -84.6(4) . . . . ?
C1 C10 C16 C17 -81.8(5) 3_666 . . . ?
C9 C10 C16 C17 98.8(5) . . . . ?
C19 C16 C17 C18 2.3(8) . . . . ?
C10 C16 C17 C18 179.1(5) . . . . ?
C20 N4 C18 C17 -4.9(9) . . . . ?
C16 C17 C18 N4 2.8(11) . . . . ?
C17 C16 C19 C20 -4.7(7) . . . . ?
C10 C16 C19 C20 178.5(4) . . . . ?
C18 N4 C20 C19 2.1(8) . . . . ?
C16 C19 C20 N4 2.7(8) . . . . ?
Sn1 O1 C21 O2 -9.6(5) . . . . ?
Sn1 O1 C21 C22 172.4(2) . . . . ?
O2 C21 C22 C23 -172.6(4) . . . . ?
O1 C21 C22 C23 5.5(5) . . . . ?
O2 C21 C22 C27 7.9(5) . . . . ?
O1 C21 C22 C27 -174.1(3) . . . . ?
C27 C22 C23 C24 0.7(6) . . . . ?
C21 C22 C23 C24 -178.8(3) . . . . ?
C22 C23 C24 C25 -0.8(6) . . . . ?
C23 C24 C25 C26 1.1(7) . . . . ?
C23 C24 C25 F1 178.7(4) . . . . ?
C24 C25 C26 C27 -1.2(7) . . . . ?
F1 C25 C26 C27 -178.8(4) . . . . ?
C25 C26 C27 C22 1.1(6) . . . . ?
C23 C22 C27 C26 -0.9(6) . . . . ?
C21 C22 C27 C26 178.7(4) . . . . ?
