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#$Date: 2022-10-20 10:34:11 +0300 (Thu, 20 Oct 2022) $
#$Revision: 278647 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/58/8105898.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_8105898
loop_
_publ_author_name
'Li, Yongjie'
'Zheng, Chunhong'
'Pu, Shouzhi'
_publ_section_title
;
 Crystal structure and photochromic properties of a novel photochromic
 perfluordiarylethene containing a triazole bridged pyridine group moiety,
 C24H18F6N4S2
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              939
_journal_page_last               941
_journal_paper_doi               10.1515/ncrs-2019-0159
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C24 H18 F6 N4 S2'
_chemical_formula_weight         540.54
_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
_cell_angle_alpha                90
_cell_angle_beta                 97.241(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.0525(18)
_cell_length_b                   8.5569(9)
_cell_length_c                   15.3792(15)
_cell_measurement_reflns_used    2113
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.43
_cell_measurement_theta_min      2.61
_cell_volume                     2487.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14666
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.723
_diffrn_reflns_theta_min         3.578
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.280
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6769
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.160
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.6769
_refine_diff_density_max         0.210
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.1493
_refine_ls_R_factor_gt           0.0513
_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)+(0.0604P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1425
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2432
_reflns_number_total             5652
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0159_suppl.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8105898
_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   0.926
_shelx_estimated_absorpt_t_max   0.957
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
C1 C -0.0385(2) 0.3078(5) 0.9069(3) 0.1278(17) Uani 1 1 d . . . . .
H1A H -0.034798 0.216889 0.943729 0.192 Uiso 1 1 calc R U . . .
H1B H -0.072353 0.378864 0.926100 0.192 Uiso 1 1 calc R U . . .
H1C H -0.053622 0.277287 0.847376 0.192 Uiso 1 1 calc R U . . .
C2 C 0.03233(18) 0.3866(4) 0.9121(2) 0.0792(10) Uani 1 1 d . . . . .
C3 C 0.05223(17) 0.5156(4) 0.8724(2) 0.0709(9) Uani 1 1 d . . . . .
H3SA H 0.020912 0.575774 0.835041 0.085 Uiso 1 1 calc R U . . .
C4 C 0.12584(15) 0.5533(3) 0.89234(18) 0.0541(7) Uani 1 1 d . . . . .
C5 C 0.16155(17) 0.4518(4) 0.94930(19) 0.0646(8) Uani 1 1 d . . . . .
C6 C 0.23656(18) 0.4527(5) 0.9881(2) 0.0997(12) Uani 1 1 d . . . . .
H6A H 0.263116 0.383301 0.955636 0.150 Uiso 1 1 calc R U . . .
H6B H 0.240115 0.418834 1.047965 0.150 Uiso 1 1 calc R U . . .
H6C H 0.255171 0.556713 0.985794 0.150 Uiso 1 1 calc R U . . .
C7 C 0.15880(14) 0.6873(3) 0.85387(17) 0.0517(7) Uani 1 1 d . . . . .
C8 C 0.1325(2) 0.8487(4) 0.8648(3) 0.0759(11) Uani 1 1 d . . . . .
C9 C 0.18205(19) 0.9565(4) 0.8228(3) 0.0746(10) Uani 1 1 d . . . . .
C10 C 0.23103(18) 0.8471(3) 0.7793(2) 0.0637(8) Uani 1 1 d . . . . .
C11 C 0.21366(14) 0.6858(3) 0.80750(17) 0.0494(7) Uani 1 1 d . . . . .
C12 C 0.25258(13) 0.5486(3) 0.78073(16) 0.0451(6) Uani 1 1 d . . . . .
C13 C 0.22139(14) 0.4319(3) 0.73069(18) 0.0525(7) Uani 1 1 d . . . . .
C14 C 0.14653(16) 0.4188(4) 0.6881(2) 0.0821(10) Uani 1 1 d . . . . .
H14A H 0.122517 0.516171 0.693949 0.123 Uiso 1 1 calc R U . . .
H14B H 0.122909 0.337243 0.715903 0.123 Uiso 1 1 calc R U . . .
H14C H 0.146151 0.394734 0.627058 0.123 Uiso 1 1 calc R U . . .
C15 C 0.32546(14) 0.5210(3) 0.80656(17) 0.0533(7) Uani 1 1 d . . . . .
H15A H 0.354723 0.591713 0.839714 0.064 Uiso 1 1 calc R U . . .
C16 C 0.34867(14) 0.3831(3) 0.77876(17) 0.0530(7) Uani 1 1 d . . . . .
C17 C 0.42050(15) 0.3130(4) 0.7994(2) 0.0685(9) Uani 1 1 d . . . . .
H17A H 0.450181 0.383935 0.837082 0.082 Uiso 1 1 calc R U . . .
H17B H 0.416672 0.216390 0.831533 0.082 Uiso 1 1 calc R U . . .
C18 C 0.49961(14) 0.3666(4) 0.6817(2) 0.0648(8) Uani 1 1 d . . . . .
H18 H 0.518537 0.463015 0.699980 0.078 Uiso 1 1 calc R U . . .
C19 C 0.51219(14) 0.2852(3) 0.60984(19) 0.0564(7) Uani 1 1 d . . . . .
C20 C 0.55885(14) 0.3229(4) 0.54358(19) 0.0575(8) Uani 1 1 d . . . . .
C21 C 0.57266(16) 0.2141(4) 0.4813(2) 0.0692(9) Uani 1 1 d . . . . .
H21A H 0.551516 0.116015 0.479184 0.083 Uiso 1 1 calc R U . . .
C22 C 0.61857(19) 0.2548(5) 0.4223(2) 0.0850(10) Uani 1 1 d . . . . .
H22A H 0.629064 0.184065 0.379879 0.102 Uiso 1 1 calc R U . . .
C23 C 0.64814(18) 0.3992(5) 0.4272(2) 0.0914(12) Uani 1 1 d . . . . .
H23A H 0.679658 0.428616 0.388644 0.110 Uiso 1 1 calc R U . . .
C24 C 0.63076(18) 0.5008(5) 0.4899(3) 0.0875(11) Uani 1 1 d . . . . .
H24 H 0.650801 0.600071 0.491588 0.105 Uiso 1 1 calc R U . . .
F1 F 0.122(2) 0.881(2) 0.9431(18) 0.138(8) Uani 0.50(5) 1 d . . P A 1
F2 F 0.0652(8) 0.869(2) 0.8118(17) 0.105(5) Uani 0.50(5) 1 d . . P A 1
F3 F 0.2161(10) 1.051(2) 0.870(2) 0.131(6) Uani 0.50(5) 1 d . . P A 1
F4 F 0.14665(11) 1.0525(3) 0.76538(17) 0.1213(9) Uani 1 1 d . . . . .
F5 F 0.2974(13) 0.881(3) 0.790(2) 0.087(6) Uani 0.50(5) 1 d . . P A 1
F6 F 0.2149(9) 0.850(2) 0.6875(12) 0.095(5) Uani 0.50(5) 1 d . . P A 1
F1' F 0.1410(19) 0.889(2) 0.9535(14) 0.144(7) Uani 0.50(5) 1 d . . P A 2
F2' F 0.0671(10) 0.8676(18) 0.843(3) 0.134(8) Uani 0.50(5) 1 d . . P A 2
F3' F 0.2215(6) 1.040(2) 0.8928(18) 0.106(5) Uani 0.50(5) 1 d . . P A 2
F5' F 0.3003(15) 0.886(4) 0.814(3) 0.100(6) Uani 0.50(5) 1 d . . P A 2
F6' F 0.2220(10) 0.870(2) 0.6941(11) 0.105(5) Uani 0.50(5) 1 d . . P A 2
N1 N 0.45454(12) 0.2803(3) 0.72093(16) 0.0626(7) Uani 1 1 d . . . . .
N2 N 0.43846(15) 0.1486(3) 0.6751(2) 0.0863(9) Uani 1 1 d . . . . .
N3 N 0.47471(15) 0.1516(3) 0.60742(19) 0.0827(8) Uani 1 1 d . . . . .
N4 N 0.58665(12) 0.4671(3) 0.54917(17) 0.0713(7) Uani 1 1 d . . . . .
S1 S 0.28102(4) 0.28684(9) 0.71636(5) 0.0659(3) Uani 1 1 d . . . . .
S2 S 0.10461(6) 0.30905(11) 0.97695(6) 0.0964(4) Uani 1 1 d . . . . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C1 130.5(4) . .
C3 C2 S2 109.2(3) . .
C1 C2 S2 120.3(3) . .
C2 C3 C4 114.4(3) . .
C2 C3 H3SA 122.8 . .
C4 C3 H3SA 122.8 . .
C5 C4 C3 113.1(3) . .
C5 C4 C7 123.8(3) . .
C3 C4 C7 123.1(3) . .
C4 C5 C6 129.7(3) . .
C4 C5 S2 109.5(2) . .
C6 C5 S2 120.8(2) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C11 C7 C4 127.7(3) . .
C11 C7 C8 111.5(2) . .
C4 C7 C8 120.8(2) . .
F2' C8 F1' 102.8(19) . .
F1 C8 F2 106.1(18) . .
F2' C8 C7 115.1(10) . .
F1 C8 C7 113.6(9) . .
F1' C8 C7 110.1(9) . .
F2 C8 C7 109.7(8) . .
F2' C8 C9 116.9(15) . .
F1 C8 C9 116.7(15) . .
F1' C8 C9 105.2(13) . .
F2 C8 C9 104.0(9) . .
C7 C8 C9 106.2(3) . .
F3 C9 F4 100.2(13) . .
F4 C9 F3' 111.6(9) . .
F3 C9 C8 117.3(12) . .
F4 C9 C8 111.6(3) . .
F3' C9 C8 106.2(11) . .
F3 C9 C10 111.0(8) . .
F4 C9 C10 111.9(3) . .
F3' C9 C10 110.1(6) . .
C8 C9 C10 105.0(3) . .
F6' C10 F5' 109.9(14) . .
F5 C10 F6 101.9(14) . .
F5 C10 C11 115.1(14) . .
F6' C10 C11 114.7(9) . .
F5' C10 C11 110.1(14) . .
F6 C10 C11 106.1(10) . .
F5 C10 C9 116.7(14) . .
F6' C10 C9 109.6(7) . .
F5' C10 C9 106.5(14) . .
F6 C10 C9 111.1(6) . .
C11 C10 C9 105.5(3) . .
C7 C11 C12 127.6(2) . .
C7 C11 C10 111.2(2) . .
C12 C11 C10 121.1(2) . .
C13 C12 C15 112.5(2) . .
C13 C12 C11 123.2(2) . .
C15 C12 C11 124.3(2) . .
C12 C13 C14 129.1(3) . .
C12 C13 S1 110.9(2) . .
C14 C13 S1 120.0(2) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C12 114.0(3) . .
C16 C15 H15A 123.0 . .
C12 C15 H15A 123.0 . .
C15 C16 C17 127.8(3) . .
C15 C16 S1 110.1(2) . .
C17 C16 S1 122.0(2) . .
N1 C17 C16 112.9(2) . .
N1 C17 H17A 109.0 . .
C16 C17 H17A 109.0 . .
N1 C17 H17B 109.0 . .
C16 C17 H17B 109.0 . .
H17A C17 H17B 107.8 . .
N1 C18 C19 106.0(3) . .
N1 C18 H18 127.0 . .
C19 C18 H18 127.0 . .
N3 C19 C18 108.2(3) . .
N3 C19 C20 122.2(3) . .
C18 C19 C20 129.6(3) . .
N4 C20 C21 123.7(3) . .
N4 C20 C19 115.2(3) . .
C21 C20 C19 121.1(3) . .
C22 C21 C20 118.4(3) . .
C22 C21 H21A 120.8 . .
C20 C21 H21A 120.8 . .
C23 C22 C21 119.1(4) . .
C23 C22 H22A 120.5 . .
C21 C22 H22A 120.5 . .
C22 C23 C24 118.8(3) . .
C22 C23 H23A 120.6 . .
C24 C23 H23A 120.6 . .
N4 C24 C23 124.6(4) . .
N4 C24 H24 117.7 . .
C23 C24 H24 117.7 . .
C18 N1 N2 110.1(2) . .
C18 N1 C17 130.0(3) . .
N2 N1 C17 119.7(2) . .
N3 N2 N1 106.9(2) . .
N2 N3 C19 108.8(3) . .
C20 N4 C24 115.4(3) . .
C13 S1 C16 92.51(13) . .
C5 S2 C2 93.80(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.501(4) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.340(4) .
C2 S2 1.727(4) .
C3 C4 1.434(4) .
C3 H3SA 0.9300 .
C4 C5 1.354(4) .
C4 C7 1.467(4) .
C5 C6 1.478(4) .
C5 S2 1.722(3) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C11 1.338(4) .
C7 C8 1.486(4) .
C8 F2' 1.26(2) .
C8 F1 1.27(2) .
C8 F1' 1.40(2) .
C8 F2 1.442(19) .
C8 C9 1.521(5) .
C9 F3 1.22(2) .
C9 F4 1.327(4) .
C9 F3' 1.42(2) .
C9 C10 1.534(4) .
C10 F5 1.29(2) .
C10 F6' 1.314(17) .
C10 F5' 1.40(3) .
C10 F6 1.406(17) .
C10 C11 1.496(4) .
C11 C12 1.475(3) .
C12 C13 1.352(3) .
C12 C15 1.415(3) .
C13 C14 1.497(4) .
C13 S1 1.715(3) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.349(3) .
C15 H15A 0.9300 .
C16 C17 1.492(4) .
C16 S1 1.717(3) .
C17 N1 1.468(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N1 1.333(3) .
C18 C19 1.353(4) .
C18 H18 0.9300 .
C19 N3 1.346(3) .
C19 C20 1.470(4) .
C20 N4 1.341(4) .
C20 C21 1.385(4) .
C21 C22 1.381(4) .
C21 H21A 0.9300 .
C22 C23 1.356(5) .
C22 H22A 0.9300 .
C23 C24 1.370(5) .
C23 H23A 0.9300 .
C24 N4 1.347(4) .
C24 H24 0.9300 .
N1 N2 1.344(3) .
N2 N3 1.320(3) .
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
C1 C2 C3 C4 -178.6(3) . . . .
S2 C2 C3 C4 0.8(4) . . . .
C2 C3 C4 C5 -1.1(4) . . . .
C2 C3 C4 C7 178.3(3) . . . .
C3 C4 C5 C6 -177.7(3) . . . .
C7 C4 C5 C6 3.0(5) . . . .
C3 C4 C5 S2 0.8(3) . . . .
C7 C4 C5 S2 -178.5(2) . . . .
C5 C4 C7 C11 56.5(4) . . . .
C3 C4 C7 C11 -122.8(3) . . . .
C5 C4 C7 C8 -122.8(3) . . . .
C3 C4 C7 C8 57.9(4) . . . .
C11 C7 C8 F2' 128(2) . . . .
C4 C7 C8 F2' -53(2) . . . .
C11 C7 C8 F1 -133(2) . . . .
C4 C7 C8 F1 46(2) . . . .
C11 C7 C8 F1' -116.9(15) . . . .
C4 C7 C8 F1' 62.5(16) . . . .
C11 C7 C8 F2 108.3(10) . . . .
C4 C7 C8 F2 -72.3(11) . . . .
C11 C7 C8 C9 -3.5(4) . . . .
C4 C7 C8 C9 175.9(3) . . . .
F1 C8 C9 F3 10.4(17) . . . .
F2 C8 C9 F3 126.8(14) . . . .
C7 C8 C9 F3 -117.4(12) . . . .
F2' C8 C9 F4 -2.2(19) . . . .
F1 C8 C9 F4 -104.3(16) . . . .
F1' C8 C9 F4 -115.4(12) . . . .
F2 C8 C9 F4 12.1(10) . . . .
C7 C8 C9 F4 127.8(3) . . . .
F2' C8 C9 F3' 119.6(18) . . . .
F1' C8 C9 F3' 6.4(12) . . . .
C7 C8 C9 F3' -110.3(7) . . . .
F2' C8 C9 C10 -123.7(19) . . . .
F1 C8 C9 C10 134.2(16) . . . .
F1' C8 C9 C10 123.1(12) . . . .
F2 C8 C9 C10 -109.4(10) . . . .
C7 C8 C9 C10 6.3(4) . . . .
F3 C9 C10 F5 -8.3(19) . . . .
F4 C9 C10 F5 102.7(16) . . . .
C8 C9 C10 F5 -136.1(16) . . . .
F4 C9 C10 F6' -4.1(11) . . . .
F3' C9 C10 F6' -128.9(14) . . . .
C8 C9 C10 F6' 117.2(11) . . . .
F4 C9 C10 F5' 114.8(15) . . . .
F3' C9 C10 F5' -9.9(16) . . . .
C8 C9 C10 F5' -123.9(15) . . . .
F3 C9 C10 F6 -124.5(15) . . . .
F4 C9 C10 F6 -13.5(11) . . . .
C8 C9 C10 F6 107.7(11) . . . .
F3 C9 C10 C11 120.9(14) . . . .
F4 C9 C10 C11 -128.1(3) . . . .
F3' C9 C10 C11 107.1(12) . . . .
C8 C9 C10 C11 -6.9(4) . . . .
C4 C7 C11 C12 2.7(5) . . . .
C8 C7 C11 C12 -178.0(3) . . . .
C4 C7 C11 C10 179.6(3) . . . .
C8 C7 C11 C10 -1.1(4) . . . .
F5 C10 C11 C7 135.3(16) . . . .
F6' C10 C11 C7 -115.6(8) . . . .
F5' C10 C11 C7 119.7(16) . . . .
F6 C10 C11 C7 -112.9(6) . . . .
C9 C10 C11 C7 5.1(4) . . . .
F5 C10 C11 C12 -47.6(16) . . . .
F6' C10 C11 C12 61.5(8) . . . .
F5' C10 C11 C12 -63.1(16) . . . .
F6 C10 C11 C12 64.3(6) . . . .
C9 C10 C11 C12 -177.7(3) . . . .
C7 C11 C12 C13 59.1(4) . . . .
C10 C11 C12 C13 -117.5(3) . . . .
C7 C11 C12 C15 -118.6(3) . . . .
C10 C11 C12 C15 64.8(4) . . . .
C15 C12 C13 C14 -177.7(3) . . . .
C11 C12 C13 C14 4.4(4) . . . .
C15 C12 C13 S1 0.8(3) . . . .
C11 C12 C13 S1 -177.14(19) . . . .
C13 C12 C15 C16 -1.9(3) . . . .
C11 C12 C15 C16 176.0(2) . . . .
C12 C15 C16 C17 -175.3(2) . . . .
C12 C15 C16 S1 2.1(3) . . . .
C15 C16 C17 N1 -122.0(3) . . . .
S1 C16 C17 N1 60.9(3) . . . .
N1 C18 C19 N3 -0.2(3) . . . .
N1 C18 C19 C20 -178.6(3) . . . .
N3 C19 C20 N4 173.1(3) . . . .
C18 C19 C20 N4 -8.8(4) . . . .
N3 C19 C20 C21 -7.6(4) . . . .
C18 C19 C20 C21 170.6(3) . . . .
N4 C20 C21 C22 1.2(5) . . . .
C19 C20 C21 C22 -178.1(3) . . . .
C20 C21 C22 C23 -0.3(5) . . . .
C21 C22 C23 C24 -0.8(5) . . . .
C22 C23 C24 N4 1.2(6) . . . .
C19 C18 N1 N2 -0.5(3) . . . .
C19 C18 N1 C17 -177.4(3) . . . .
C16 C17 N1 C18 94.5(4) . . . .
C16 C17 N1 N2 -82.1(3) . . . .
C18 N1 N2 N3 1.0(3) . . . .
C17 N1 N2 N3 178.2(2) . . . .
N1 N2 N3 C19 -1.1(4) . . . .
C18 C19 N3 N2 0.8(4) . . . .
C20 C19 N3 N2 179.3(3) . . . .
C21 C20 N4 C24 -0.8(4) . . . .
C19 C20 N4 C24 178.5(2) . . . .
C23 C24 N4 C20 -0.4(5) . . . .
C12 C13 S1 C16 0.3(2) . . . .
C14 C13 S1 C16 179.0(2) . . . .
C15 C16 S1 C13 -1.4(2) . . . .
C17 C16 S1 C13 176.2(2) . . . .
C4 C5 S2 C2 -0.3(2) . . . .
C6 C5 S2 C2 178.4(3) . . . .
C3 C2 S2 C5 -0.3(3) . . . .
C1 C2 S2 C5 179.2(3) . . . .
