#------------------------------------------------------------------------------
#$Date: 2023-01-30 12:22:59 +0200 (Mon, 30 Jan 2023) $
#$Revision: 280667 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/66/8106623.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_8106623
loop_
_publ_author_name
'Liu, Gang'
'Hu, Yao-Dong'
'Wang, Yi-Han'
_publ_section_title
;
 Crystal structure of
 (E)-1-[1-(3-chloro-4-fluoro-phenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine,
 C28H20Cl2F2N8O8
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              627
_journal_page_last               629
_journal_paper_doi               10.1515/ncrs-2016-0381
_journal_volume                  232
_journal_year                    2017
_chemical_formula_moiety         'C28 H20 Cl2 F2 N8 O8'
_chemical_formula_sum            'C28 H20 Cl2 F2 N8 O8'
_chemical_formula_weight         705.42
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.416(7)
_cell_angle_beta                 95.771(7)
_cell_angle_gamma                95.915(6)
_cell_formula_units_Z            2
_cell_length_a                   9.045(3)
_cell_length_b                   10.907(4)
_cell_length_c                   15.351(5)
_cell_measurement_reflns_used    1057
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.18
_cell_measurement_theta_min      2.23
_cell_volume                     1495.0(9)
_computing_cell_refinement       APEX2-2005
_computing_data_collection       APEX2-2005
_computing_data_reduction        'SAINT-2005 '
_computing_molecular_graphics    'SHELXTL-2008 [9]'
_computing_publication_material  'SHELXTL-2008 [9]'
_computing_structure_refinement  'SHELXTL-2008 [9]'
_computing_structure_solution    'SHELXTL-2008 [9]'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_sigmaI/netI    0.1292
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7539
_diffrn_reflns_theta_full        24.80
_diffrn_reflns_theta_max         24.80
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  0.9542
_exptl_absorpt_correction_T_min  0.9378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         5100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1542
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0620P)²+0.0010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1779
_refine_ls_wR_factor_ref         0.1940
_reflns_number_gt                2028
_reflns_number_total             5100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0381_suppl.cif
_cod_data_source_block           111
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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_database_code               8106623
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.2575(6) 0.5009(5) 0.5060(4) 0.0455(15) Uani 1 1 d . . .
C2 C -0.2260(6) 0.4888(5) 0.5937(4) 0.0502(15) Uani 1 1 d . . .
H2 H -0.2682 0.5365 0.6347 0.060 Uiso 1 1 calc R . .
C3 C -0.1299(6) 0.4038(5) 0.6203(4) 0.0481(15) Uani 1 1 d . . .
C4 C -0.0650(6) 0.3303(5) 0.5585(4) 0.0421(14) Uani 1 1 d . . .
C5 C -0.1041(6) 0.3466(5) 0.4701(4) 0.0470(14) Uani 1 1 d . . .
H5 H -0.0648 0.2986 0.4278 0.056 Uiso 1 1 calc R . .
C6 C -0.1977(6) 0.4301(5) 0.4435(4) 0.0498(15) Uani 1 1 d . . .
H6 H -0.2212 0.4395 0.3841 0.060 Uiso 1 1 calc R . .
C7 C 0.1716(6) 0.0961(5) 0.5509(4) 0.0547(16) Uani 1 1 d . . .
C8 C 0.2081(8) 0.0769(6) 0.6470(4) 0.090(2) Uani 1 1 d . . .
H8A H 0.2552 0.1529 0.6770 0.134 Uiso 1 1 calc R . .
H8B H 0.2747 0.0142 0.6530 0.134 Uiso 1 1 calc R . .
H8C H 0.1177 0.0516 0.6720 0.134 Uiso 1 1 calc R . .
C9 C 0.2348(6) 0.0212(5) 0.4828(4) 0.0491(15) Uani 1 1 d . . .
C10 C 0.2080(6) 0.0419(5) 0.3944(4) 0.0570(17) Uani 1 1 d . . .
H10 H 0.1527 0.1058 0.3782 0.068 Uiso 1 1 calc R . .
C11 C 0.2614(7) -0.0297(6) 0.3304(4) 0.0649(18) Uani 1 1 d . . .
C12 C 0.3466(7) -0.1225(6) 0.3535(5) 0.0676(19) Uani 1 1 d . . .
C13 C 0.3787(6) -0.1436(5) 0.4409(5) 0.068(2) Uani 1 1 d . . .
H13 H 0.4385 -0.2050 0.4566 0.082 Uiso 1 1 calc R . .
C14 C 0.3220(6) -0.0738(5) 0.5050(4) 0.0596(17) Uani 1 1 d . . .
H14 H 0.3418 -0.0898 0.5636 0.071 Uiso 1 1 calc R . .
C15 C -0.0364(6) 0.7959(5) 0.9951(4) 0.0470(15) Uani 1 1 d . . .
C16 C -0.0219(6) 0.7811(5) 0.9072(4) 0.0482(15) Uani 1 1 d . . .
H16 H -0.0681 0.8302 0.8676 0.058 Uiso 1 1 calc R . .
C17 C 0.0631(6) 0.6917(5) 0.8790(3) 0.0436(14) Uani 1 1 d . . .
C18 C 0.1356(6) 0.6170(5) 0.9363(4) 0.0436(14) Uani 1 1 d . . .
C19 C 0.1178(6) 0.6363(5) 1.0264(4) 0.0479(15) Uani 1 1 d . . .
H19 H 0.1634 0.5878 1.0667 0.057 Uiso 1 1 calc R . .
C20 C 0.0346(6) 0.7253(5) 1.0552(4) 0.0524(16) Uani 1 1 d . . .
H20 H 0.0258 0.7385 1.1148 0.063 Uiso 1 1 calc R . .
C21 C 0.3661(6) 0.3754(5) 0.9437(4) 0.0509(16) Uani 1 1 d . . .
C22 C 0.3896(7) 0.3497(6) 0.8496(4) 0.081(2) Uani 1 1 d . . .
H22A H 0.2948 0.3259 0.8157 0.121 Uiso 1 1 calc R . .
H22B H 0.4518 0.2839 0.8449 0.121 Uiso 1 1 calc R . .
H22C H 0.4373 0.4227 0.8279 0.121 Uiso 1 1 calc R . .
C23 C 0.4331(6) 0.3031(5) 1.0129(4) 0.0489(15) Uani 1 1 d . . .
C24 C 0.4136(6) 0.3279(5) 1.1000(4) 0.0548(16) Uani 1 1 d . . .
H24 H 0.3563 0.3906 1.1146 0.066 Uiso 1 1 calc R . .
C25 C 0.4757(7) 0.2636(6) 1.1658(4) 0.0586(17) Uani 1 1 d . . .
C26 C 0.5619(7) 0.1698(6) 1.1439(5) 0.0645(19) Uani 1 1 d . . .
C27 C 0.5837(7) 0.1432(6) 1.0582(5) 0.068(2) Uani 1 1 d . . .
H27 H 0.6421 0.0811 1.0440 0.081 Uiso 1 1 calc R . .
C28 C 0.5199(6) 0.2077(5) 0.9935(4) 0.0616(17) Uani 1 1 d . . .
H28 H 0.5342 0.1879 0.9354 0.074 Uiso 1 1 calc R . .
Cl1 Cl 0.2240(2) -0.00958(17) 0.22086(12) 0.0922(7) Uani 1 1 d . . .
Cl2 Cl 0.4539(2) 0.29716(18) 1.27382(12) 0.0937(7) Uani 1 1 d . . .
F1 F 0.3993(4) -0.1930(3) 0.2909(3) 0.0937(13) Uani 1 1 d . . .
F2 F 0.6255(4) 0.1072(4) 1.2078(3) 0.1004(14) Uani 1 1 d . . .
N1 N -0.3556(5) 0.5935(5) 0.4779(4) 0.0600(14) Uani 1 1 d . . .
N2 N -0.1010(6) 0.3947(5) 0.7143(3) 0.0627(14) Uani 1 1 d . . .
N3 N 0.0292(5) 0.2470(4) 0.5834(3) 0.0535(13) Uani 1 1 d . . .
H3 H 0.0521 0.2386 0.6383 0.064 Uiso 1 1 calc R . .
N4 N 0.0886(5) 0.1756(4) 0.5217(3) 0.0517(13) Uani 1 1 d . . .
N5 N -0.1270(5) 0.8909(5) 1.0256(4) 0.0584(14) Uani 1 1 d . . .
N6 N 0.0738(6) 0.6797(5) 0.7851(3) 0.0615(15) Uani 1 1 d . . .
N7 N 0.2197(5) 0.5274(4) 0.9105(3) 0.0542(13) Uani 1 1 d . . .
H7 H 0.2310 0.5141 0.8559 0.065 Uiso 1 1 calc R . .
N8 N 0.2862(5) 0.4587(4) 0.9720(3) 0.0502(12) Uani 1 1 d . . .
O1 O -0.3742(5) 0.6087(4) 0.3993(3) 0.0762(14) Uani 1 1 d . . .
O2 O -0.4125(5) 0.6522(4) 0.5337(3) 0.0817(15) Uani 1 1 d . . .
O3 O -0.1658(5) 0.4570(4) 0.7636(3) 0.0814(14) Uani 1 1 d . . .
O4 O -0.0109(5) 0.3247(4) 0.7405(3) 0.0821(15) Uani 1 1 d . . .
O5 O -0.1789(5) 0.9567(4) 0.9724(3) 0.0714(13) Uani 1 1 d . . .
O6 O -0.1449(5) 0.8961(4) 1.1041(3) 0.0784(14) Uani 1 1 d . . .
O7 O 0.0058(6) 0.7455(5) 0.7378(3) 0.0984(17) Uani 1 1 d . . .
O8 O 0.1513(5) 0.6030(4) 0.7567(3) 0.0746(14) 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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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 C6 121.9(5) . .
C2 C1 N1 118.6(5) . .
C6 C1 N1 119.5(5) . .
C1 C2 C3 118.7(5) . .
C1 C2 H2 120.7 . .
C3 C2 H2 120.7 . .
C2 C3 C4 121.3(5) . .
C2 C3 N2 116.2(5) . .
C4 C3 N2 122.5(5) . .
N3 C4 C5 121.2(5) . .
N3 C4 C3 122.1(5) . .
C5 C4 C3 116.7(5) . .
C6 C5 C4 122.3(5) . .
C6 C5 H5 118.9 . .
C4 C5 H5 118.9 . .
C5 C6 C1 119.1(5) . .
C5 C6 H6 120.4 . .
C1 C6 H6 120.4 . .
N4 C7 C9 115.1(5) . .
N4 C7 C8 124.5(5) . .
C9 C7 C8 120.4(5) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 C14 117.6(6) . .
C10 C9 C7 121.0(5) . .
C14 C9 C7 121.4(6) . .
C11 C10 C9 121.6(5) . .
C11 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C12 C11 C10 119.9(6) . .
C12 C11 Cl1 117.8(6) . .
C10 C11 Cl1 122.4(5) . .
F1 C12 C11 120.1(7) . .
F1 C12 C13 119.8(6) . .
C11 C12 C13 120.1(6) . .
C14 C13 C12 120.0(6) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C9 120.8(6) . .
C13 C14 H14 119.6 . .
C9 C14 H14 119.6 . .
C16 C15 C20 121.5(5) . .
C16 C15 N5 118.6(5) . .
C20 C15 N5 119.9(5) . .
C15 C16 C17 118.3(5) . .
C15 C16 H16 120.8 . .
C17 C16 H16 120.8 . .
C16 C17 C18 122.7(5) . .
C16 C17 N6 115.9(5) . .
C18 C17 N6 121.4(5) . .
N7 C18 C17 124.2(5) . .
N7 C18 C19 119.0(5) . .
C17 C18 C19 116.8(5) . .
C20 C19 C18 121.0(5) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C15 119.7(5) . .
C19 C20 H20 120.2 . .
C15 C20 H20 120.2 . .
N8 C21 C23 114.4(5) . .
N8 C21 C22 124.7(5) . .
C23 C21 C22 120.9(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C28 117.1(6) . .
C24 C23 C21 121.0(5) . .
C28 C23 C21 121.9(6) . .
C25 C24 C23 122.5(5) . .
C25 C24 H24 118.8 . .
C23 C24 H24 118.8 . .
C24 C25 C26 118.7(6) . .
C24 C25 Cl2 122.0(5) . .
C26 C25 Cl2 119.2(5) . .
F2 C26 C27 120.3(6) . .
F2 C26 C25 119.4(6) . .
C27 C26 C25 120.3(6) . .
C28 C27 C26 120.1(6) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C27 C28 C23 121.3(6) . .
C27 C28 H28 119.3 . .
C23 C28 H28 119.3 . .
O2 N1 O1 123.6(5) . .
O2 N1 C1 118.8(5) . .
O1 N1 C1 117.6(5) . .
O3 N2 O4 122.9(5) . 1
O3 N2 O4 122.9(5) . .
O3 N2 C3 119.0(5) . .
O4 N2 C3 118.1(5) 1 .
O4 N2 C3 118.1(5) . .
C4 N3 N4 120.6(4) . .
C4 N3 H3 119.7 . .
N4 N3 H3 119.7 . .
C7 N4 N3 116.4(5) . .
O5 N5 O6 125.2(5) . .
O5 N5 C15 118.2(5) . .
O6 N5 C15 116.5(5) . .
O7 N6 O8 122.8(5) . 1
O7 N6 O8 122.8(5) . .
O7 N6 C17 118.8(5) . .
O8 N6 C17 118.5(5) 1 .
O8 N6 C17 118.5(5) . .
C18 N7 N8 119.7(5) . .
C18 N7 H7 120.2 . .
N8 N7 H7 120.2 . .
C21 N8 N7 116.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.365(7) .
C1 C6 1.382(7) .
C1 N1 1.467(6) .
C2 C3 1.386(7) .
C2 H2 0.9300 .
C3 C4 1.415(7) .
C3 N2 1.451(7) .
C4 N3 1.354(6) .
C4 C5 1.395(7) .
C5 C6 1.358(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 N4 1.277(6) .
C7 C9 1.484(8) .
C7 C8 1.510(8) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.390(7) .
C9 C14 1.402(7) .
C10 C11 1.376(8) .
C10 H10 0.9300 .
C11 C12 1.375(8) .
C11 Cl1 1.713(6) .
C12 F1 1.349(7) .
C12 C13 1.382(8) .
C13 C14 1.379(8) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.371(7) .
C15 C20 1.387(7) .
C15 N5 1.469(7) .
C16 C17 1.378(7) .
C16 H16 0.9300 .
C17 C18 1.395(7) .
C17 N6 1.454(7) .
C18 N7 1.363(6) .
C18 C19 1.415(7) .
C19 C20 1.368(7) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 N8 1.299(6) .
C21 C23 1.477(7) .
C21 C22 1.495(8) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.381(7) .
C23 C28 1.403(7) .
C24 C25 1.371(7) .
C24 H24 0.9300 .
C25 C26 1.394(8) .
C25 Cl2 1.712(6) .
C26 F2 1.344(6) .
C26 C27 1.368(8) .
C27 C28 1.367(8) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N1 O2 1.225(6) .
N1 O1 1.225(6) .
N2 O3 1.220(5) .
N2 O4 1.228(5) 1
N2 O4 1.228(5) .
N3 N4 1.377(5) .
N3 H3 0.8600 .
N5 O5 1.210(6) .
N5 O6 1.230(6) .
N6 O7 1.217(5) .
N6 O8 1.233(5) 1
N6 O8 1.233(5) .
N7 N8 1.371(6) .
N7 H7 0.8600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N7 H7 O8 0.86 1.97 2.585(6) 127.5 1
N3 H3 O4 0.86 1.94 2.581(6) 129.8 1
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
C6 C1 C2 C3 0.8(8) . . . .
N1 C1 C2 C3 -178.1(5) . . . .
C1 C2 C3 C4 -0.1(8) . . . .
C1 C2 C3 N2 -179.8(5) . . . .
C2 C3 C4 N3 179.9(5) . . . .
N2 C3 C4 N3 -0.4(8) . . . .
C2 C3 C4 C5 -0.8(8) . . . .
N2 C3 C4 C5 178.9(5) . . . .
N3 C4 C5 C6 -179.6(5) . . . .
C3 C4 C5 C6 1.2(8) . . . .
C4 C5 C6 C1 -0.6(8) . . . .
C2 C1 C6 C5 -0.4(8) . . . .
N1 C1 C6 C5 178.5(5) . . . .
N4 C7 C9 C10 2.4(8) . . . .
C8 C7 C9 C10 -176.9(6) . . . .
N4 C7 C9 C14 -176.8(5) . . . .
C8 C7 C9 C14 3.9(8) . . . .
C14 C9 C10 C11 1.6(9) . . . .
C7 C9 C10 C11 -177.6(5) . . . .
C9 C10 C11 C12 -1.6(9) . . . .
C9 C10 C11 Cl1 177.5(5) . . . .
C10 C11 C12 F1 -179.9(5) . . . .
Cl1 C11 C12 F1 0.9(8) . . . .
C10 C11 C12 C13 -0.1(10) . . . .
Cl1 C11 C12 C13 -179.3(5) . . . .
F1 C12 C13 C14 -178.5(5) . . . .
C11 C12 C13 C14 1.7(10) . . . .
C12 C13 C14 C9 -1.7(9) . . . .
C10 C9 C14 C13 0.0(8) . . . .
C7 C9 C14 C13 179.2(5) . . . .
C20 C15 C16 C17 1.5(8) . . . .
N5 C15 C16 C17 -179.9(5) . . . .
C15 C16 C17 C18 -0.7(8) . . . .
C15 C16 C17 N6 179.6(5) . . . .
C16 C17 C18 N7 179.7(5) . . . .
N6 C17 C18 N7 -0.7(8) . . . .
C16 C17 C18 C19 0.3(8) . . . .
N6 C17 C18 C19 180.0(5) . . . .
N7 C18 C19 C20 179.9(5) . . . .
C17 C18 C19 C20 -0.7(8) . . . .
C18 C19 C20 C15 1.5(8) . . . .
C16 C15 C20 C19 -1.9(9) . . . .
N5 C15 C20 C19 179.5(5) . . . .
N8 C21 C23 C24 -2.0(8) . . . .
C22 C21 C23 C24 178.9(6) . . . .
N8 C21 C23 C28 178.6(5) . . . .
C22 C21 C23 C28 -0.5(8) . . . .
C28 C23 C24 C25 0.2(9) . . . .
C21 C23 C24 C25 -179.2(5) . . . .
C23 C24 C25 C26 0.1(9) . . . .
C23 C24 C25 Cl2 178.7(5) . . . .
C24 C25 C26 F2 178.9(5) . . . .
Cl2 C25 C26 F2 0.3(8) . . . .
C24 C25 C26 C27 0.1(9) . . . .
Cl2 C25 C26 C27 -178.5(5) . . . .
F2 C26 C27 C28 -179.5(5) . . . .
C25 C26 C27 C28 -0.6(10) . . . .
C26 C27 C28 C23 1.0(10) . . . .
C24 C23 C28 C27 -0.7(8) . . . .
C21 C23 C28 C27 178.7(6) . . . .
C2 C1 N1 O2 -3.9(8) . . . .
C6 C1 N1 O2 177.2(5) . . . .
C2 C1 N1 O1 175.2(5) . . . .
C6 C1 N1 O1 -3.7(8) . . . .
C2 C3 N2 O3 2.9(8) . . . .
C4 C3 N2 O3 -176.9(5) . . . .
C2 C3 N2 O4 -176.6(5) . . . 1
C4 C3 N2 O4 3.7(8) . . . 1
C2 C3 N2 O4 -176.6(5) . . . .
C4 C3 N2 O4 3.7(8) . . . .
C5 C4 N3 N4 -0.2(7) . . . .
C3 C4 N3 N4 179.0(5) . . . .
C9 C7 N4 N3 -179.6(4) . . . .
C8 C7 N4 N3 -0.4(8) . . . .
C4 N3 N4 C7 -177.3(5) . . . .
C16 C15 N5 O5 -3.7(8) . . . .
C20 C15 N5 O5 174.9(5) . . . .
C16 C15 N5 O6 175.7(5) . . . .
C20 C15 N5 O6 -5.7(8) . . . .
C16 C17 N6 O7 -1.8(8) . . . .
C18 C17 N6 O7 178.5(5) . . . .
C16 C17 N6 O8 178.3(5) . . . 1
C18 C17 N6 O8 -1.4(8) . . . 1
C16 C17 N6 O8 178.3(5) . . . .
C18 C17 N6 O8 -1.4(8) . . . .
C17 C18 N7 N8 -179.8(5) . . . .
C19 C18 N7 N8 -0.5(7) . . . .
C23 C21 N8 N7 -179.2(5) . . . .
C22 C21 N8 N7 -0.2(8) . . . .
C18 N7 N8 C21 -179.4(5) . . . .
O3 N2 O4 O4 0.0(7) . . . 1
C3 N2 O4 O4 0.0(6) . . . 1
O7 N6 O8 O8 0.0(6) . . . 1
C17 N6 O8 O8 0.0(7) . . . 1
