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#$Date: 2022-09-23 11:41:58 +0300 (Fri, 23 Sep 2022) $
#$Revision: 278111 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/58/8105846.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_8105846
loop_
_publ_author_name
'Ha, Kwang'
_publ_section_title
;
 Crystal structure of
 dichlorido(pyridine-\kN)(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3 N 2,N 1,N
 6)nickel(II), C23H17Cl2N7Ni
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              775
_journal_page_last               776
_journal_paper_doi               10.1515/ncrs-2019-0098
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C23 H17 Cl2 N7 Ni'
_chemical_formula_sum            'C23 H17 Cl2 N7 Ni'
_chemical_formula_weight         521.04
_chemical_name_systematic
;
dichlorido(pyridine-κN)(2,4,6-tri-2-pyridyl-1,3,5-triazine-
κ³N²,N¹,N⁶)nickel(II)
;
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 102.4634(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5392(5)
_cell_length_b                   11.5655(6)
_cell_length_c                   15.5085(8)
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.81
_cell_measurement_theta_min      2.22
_cell_volume                     2196.07(18)
_computing_cell_refinement       'Bruker SAINT [1]'
_computing_data_collection       'Bruker APEX2 [1]'
_computing_data_reduction        'Bruker SAINT [1]'
_computing_molecular_graphics    'ORTEP-III [3]'
_computing_publication_material  'SHELXL-2014/7 [2]'
_computing_structure_refinement  'SHELXL-2014/7 [2]'
_computing_structure_solution    'SHELXL-2014/7 [2]'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0964
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            59997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.145
_diffrn_reflns_theta_min         2.216
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.154
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016) [1]'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4371
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0348
_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)+(0.0330P)²+1.2936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0792
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3317
_reflns_number_total             4371
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0098_suppl.cif
_cod_data_source_block           NiCl2(py)(tptz)
_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               8105846
_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   0.802
_shelx_estimated_absorpt_t_max   0.913
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
Ni1 Ni 0.24377(2) 0.22047(3) 0.44366(2) 0.02636(10) Uani 1 1 d . . . . .
Cl1 Cl 0.37145(5) 0.26968(6) 0.58086(4) 0.03440(16) Uani 1 1 d . . . . .
Cl2 Cl 0.10316(5) 0.15682(6) 0.31799(4) 0.03424(16) Uani 1 1 d . . . . .
N1 N 0.23932(15) 0.06252(17) 0.49174(13) 0.0256(4) Uani 1 1 d . . . . .
N2 N 0.30604(16) -0.12738(17) 0.50367(13) 0.0286(5) Uani 1 1 d . . . . .
N3 N 0.16859(16) -0.06770(17) 0.58029(13) 0.0281(5) Uani 1 1 d . . . . .
N4 N 0.36287(15) 0.13119(18) 0.38988(13) 0.0283(5) Uani 1 1 d . . . . .
N5 N 0.31885(18) -0.33404(19) 0.59039(16) 0.0407(6) Uani 1 1 d . . . . .
N6 N 0.11921(15) 0.23234(17) 0.51938(13) 0.0264(4) Uani 1 1 d . . . . .
N7 N 0.25728(15) 0.38393(18) 0.39170(13) 0.0287(5) Uani 1 1 d . . . . .
C1 C 0.30382(18) -0.0205(2) 0.47265(15) 0.0254(5) Uani 1 1 d . . . . .
C2 C 0.37407(18) 0.0184(2) 0.41264(16) 0.0272(5) Uani 1 1 d . . . . .
C3 C 0.44503(19) -0.0553(2) 0.38338(16) 0.0326(6) Uani 1 1 d . . . . .
H3 H 0.4513 -0.1331 0.4012 0.039 Uiso 1 1 calc R U . . .
C4 C 0.5070(2) -0.0111(3) 0.32684(18) 0.0390(7) Uani 1 1 d . . . . .
H4 H 0.5568 -0.0587 0.3060 0.047 Uiso 1 1 calc R U . . .
C5 C 0.4949(2) 0.1024(3) 0.30167(18) 0.0391(7) Uani 1 1 d . . . . .
H5 H 0.5352 0.1334 0.2626 0.047 Uiso 1 1 calc R U . . .
C6 C 0.4223(2) 0.1707(2) 0.33464(17) 0.0358(6) Uani 1 1 d . . . . .
H6 H 0.4146 0.2487 0.3172 0.043 Uiso 1 1 calc R U . . .
C7 C 0.23829(19) -0.1462(2) 0.55871(16) 0.0270(5) Uani 1 1 d . . . . .
C8 C 0.2376(2) -0.2622(2) 0.59898(16) 0.0276(6) Uani 1 1 d . . . . .
C9 C 0.1558(2) -0.2928(2) 0.64212(16) 0.0306(6) Uani 1 1 d . . . . .
H9 H 0.1005 -0.2401 0.6473 0.037 Uiso 1 1 calc R U . . .
C10 C 0.1578(2) -0.4028(2) 0.67732(17) 0.0369(6) Uani 1 1 d . . . . .
H10 H 0.1036 -0.4260 0.7073 0.044 Uiso 1 1 calc R U . . .
C11 C 0.2391(2) -0.4779(2) 0.66826(19) 0.0409(7) Uani 1 1 d . . . . .
H11 H 0.2416 -0.5534 0.6911 0.049 Uiso 1 1 calc R U . . .
C12 C 0.3170(2) -0.4393(2) 0.6247(2) 0.0479(8) Uani 1 1 d . . . . .
H12 H 0.3729 -0.4909 0.6188 0.058 Uiso 1 1 calc R U . . .
C13 C 0.17210(18) 0.0357(2) 0.54412(15) 0.0245(5) Uani 1 1 d . . . . .
C14 C 0.10008(18) 0.1317(2) 0.55873(15) 0.0253(5) Uani 1 1 d . . . . .
C15 C 0.02102(19) 0.1202(2) 0.60733(16) 0.0300(6) Uani 1 1 d . . . . .
H15 H 0.0090 0.0489 0.6327 0.036 Uiso 1 1 calc R U . . .
C16 C -0.0404(2) 0.2165(2) 0.61775(17) 0.0358(6) Uani 1 1 d . . . . .
H16 H -0.0949 0.2119 0.6508 0.043 Uiso 1 1 calc R U . . .
C17 C -0.0208(2) 0.3188(2) 0.57931(17) 0.0371(6) Uani 1 1 d . . . . .
H17 H -0.0615 0.3852 0.5859 0.044 Uiso 1 1 calc R U . . .
C18 C 0.0592(2) 0.3232(2) 0.53085(17) 0.0330(6) Uani 1 1 d . . . . .
H18 H 0.0718 0.3938 0.5047 0.040 Uiso 1 1 calc R U . . .
C19 C 0.1769(2) 0.4317(2) 0.33225(17) 0.0324(6) Uani 1 1 d . . . . .
H19 H 0.1127 0.3887 0.3123 0.039 Uiso 1 1 calc R U . . .
C20 C 0.1830(2) 0.5416(2) 0.29831(17) 0.0356(6) Uani 1 1 d . . . . .
H20 H 0.1244 0.5721 0.2563 0.043 Uiso 1 1 calc R U . . .
C21 C 0.2760(2) 0.6050(2) 0.32693(17) 0.0369(6) Uani 1 1 d . . . . .
H21 H 0.2815 0.6807 0.3063 0.044 Uiso 1 1 calc R U . . .
C22 C 0.3607(2) 0.5561(3) 0.38612(19) 0.0458(8) Uani 1 1 d . . . . .
H22 H 0.4262 0.5970 0.4056 0.055 Uiso 1 1 calc R U . . .
C23 C 0.3487(2) 0.4462(2) 0.41675(19) 0.0419(7) Uani 1 1 d . . . . .
H23 H 0.4075 0.4134 0.4572 0.050 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'
Cl Cl 0.1484 0.1585 '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'
Ni Ni 0.3393 1.1124 '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
N1 Ni1 N7 176.66(7) . .
N1 Ni1 N4 77.23(8) . .
N7 Ni1 N4 99.60(8) . .
N1 Ni1 N6 76.73(8) . .
N7 Ni1 N6 106.46(8) . .
N4 Ni1 N6 153.93(8) . .
N1 Ni1 Cl1 87.32(6) . .
N7 Ni1 Cl1 91.89(6) . .
N4 Ni1 Cl1 94.08(6) . .
N6 Ni1 Cl1 85.76(6) . .
N1 Ni1 Cl2 87.03(6) . .
N7 Ni1 Cl2 94.02(6) . .
N4 Ni1 Cl2 89.30(6) . .
N6 Ni1 Cl2 88.32(6) . .
Cl1 Ni1 Cl2 172.62(2) . .
C13 N1 C1 117.7(2) . .
C13 N1 Ni1 121.32(16) . .
C1 N1 Ni1 121.00(15) . .
C1 N2 C7 114.5(2) . .
C13 N3 C7 114.8(2) . .
C6 N4 C2 117.3(2) . .
C6 N4 Ni1 128.54(18) . .
C2 N4 Ni1 114.10(15) . .
C12 N5 C8 116.5(2) . .
C18 N6 C14 117.3(2) . .
C18 N6 Ni1 128.55(17) . .
C14 N6 Ni1 114.17(15) . .
C19 N7 C23 116.8(2) . .
C19 N7 Ni1 122.27(17) . .
C23 N7 Ni1 120.93(17) . .
N2 C1 N1 124.0(2) . .
N2 C1 C2 122.8(2) . .
N1 C1 C2 113.2(2) . .
N4 C2 C3 123.3(2) . .
N4 C2 C1 114.5(2) . .
C3 C2 C1 122.2(2) . .
C2 C3 C4 118.0(2) . .
C2 C3 H3 121.0 . .
C4 C3 H3 121.0 . .
C5 C4 C3 119.4(2) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 118.9(2) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
N4 C6 C5 123.1(3) . .
N4 C6 H6 118.5 . .
C5 C6 H6 118.5 . .
N2 C7 N3 125.4(2) . .
N2 C7 C8 118.4(2) . .
N3 C7 C8 116.2(2) . .
N5 C8 C9 123.1(2) . .
N5 C8 C7 116.4(2) . .
C9 C8 C7 120.5(2) . .
C10 C9 C8 118.3(2) . .
C10 C9 H9 120.9 . .
C8 C9 H9 120.9 . .
C11 C10 C9 119.5(2) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 117.9(2) . .
C10 C11 H11 121.0 . .
C12 C11 H11 121.0 . .
N5 C12 C11 124.6(3) . .
N5 C12 H12 117.7 . .
C11 C12 H12 117.7 . .
N3 C13 N1 123.6(2) . .
N3 C13 C14 122.4(2) . .
N1 C13 C14 114.0(2) . .
N6 C14 C15 123.1(2) . .
N6 C14 C13 113.68(19) . .
C15 C14 C13 123.2(2) . .
C14 C15 C16 118.1(2) . .
C14 C15 H15 120.9 . .
C16 C15 H15 120.9 . .
C17 C16 C15 119.2(2) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
C16 C17 C18 119.3(2) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
N6 C18 C17 123.0(3) . .
N6 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
N7 C19 C20 123.3(2) . .
N7 C19 H19 118.4 . .
C20 C19 H19 118.4 . .
C21 C20 C19 118.9(2) . .
C21 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
C20 C21 C22 118.7(3) . .
C20 C21 H21 120.7 . .
C22 C21 H21 120.7 . .
C21 C22 C23 119.1(3) . .
C21 C22 H22 120.4 . .
C23 C22 H22 120.4 . .
N7 C23 C22 123.2(2) . .
N7 C23 H23 118.4 . .
C22 C23 H23 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N1 1.978(2) .
Ni1 N7 2.076(2) .
Ni1 N4 2.1283(19) .
Ni1 N6 2.1516(19) .
Ni1 Cl1 2.4381(7) .
Ni1 Cl2 2.4425(7) .
N1 C13 1.328(3) .
N1 C1 1.329(3) .
N2 C1 1.325(3) .
N2 C7 1.345(3) .
N3 C13 1.325(3) .
N3 C7 1.351(3) .
N4 C6 1.332(3) .
N4 C2 1.351(3) .
N5 C12 1.331(3) .
N5 C8 1.343(3) .
N6 C18 1.326(3) .
N6 C14 1.359(3) .
N7 C19 1.331(3) .
N7 C23 1.339(3) .
C1 C2 1.483(3) .
C2 C3 1.378(3) .
C3 C4 1.388(4) .
C3 H3 0.9400 .
C4 C5 1.369(4) .
C4 H4 0.9400 .
C5 C6 1.383(4) .
C5 H5 0.9400 .
C6 H6 0.9400 .
C7 C8 1.482(3) .
C8 C9 1.386(3) .
C9 C10 1.383(3) .
C9 H9 0.9400 .
C10 C11 1.369(4) .
C10 H10 0.9400 .
C11 C12 1.377(4) .
C11 H11 0.9400 .
C12 H12 0.9400 .
C13 C14 1.479(3) .
C14 C15 1.375(3) .
C15 C16 1.383(3) .
C15 H15 0.9400 .
C16 C17 1.370(4) .
C16 H16 0.9400 .
C17 C18 1.378(3) .
C17 H17 0.9400 .
C18 H18 0.9400 .
C19 C20 1.384(3) .
C19 H19 0.9400 .
C20 C21 1.367(4) .
C20 H20 0.9400 .
C21 C22 1.368(4) .
C21 H21 0.9400 .
C22 C23 1.376(4) .
C22 H22 0.9400 .
C23 H23 0.9400 .
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
C3 H3 Cl1 0.94 2.69 3.347(3) 127.4 3_656
C19 H19 Cl2 0.94 2.69 3.305(3) 123.9 .
C23 H23 Cl1 0.94 2.65 3.227(3) 120.3 .
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
C7 N2 C1 N1 -1.3(3) . . . .
C7 N2 C1 C2 178.6(2) . . . .
C13 N1 C1 N2 -1.0(4) . . . .
Ni1 N1 C1 N2 178.95(18) . . . .
C13 N1 C1 C2 179.1(2) . . . .
Ni1 N1 C1 C2 -1.0(3) . . . .
C6 N4 C2 C3 1.6(4) . . . .
Ni1 N4 C2 C3 178.62(19) . . . .
C6 N4 C2 C1 -178.7(2) . . . .
Ni1 N4 C2 C1 -1.7(3) . . . .
N2 C1 C2 N4 -178.2(2) . . . .
N1 C1 C2 N4 1.8(3) . . . .
N2 C1 C2 C3 1.5(4) . . . .
N1 C1 C2 C3 -178.6(2) . . . .
N4 C2 C3 C4 -0.8(4) . . . .
C1 C2 C3 C4 179.6(2) . . . .
C2 C3 C4 C5 -0.6(4) . . . .
C3 C4 C5 C6 1.1(4) . . . .
C2 N4 C6 C5 -1.1(4) . . . .
Ni1 N4 C6 C5 -177.6(2) . . . .
C4 C5 C6 N4 -0.2(4) . . . .
C1 N2 C7 N3 2.7(4) . . . .
C1 N2 C7 C8 -178.1(2) . . . .
C13 N3 C7 N2 -1.6(4) . . . .
C13 N3 C7 C8 179.2(2) . . . .
C12 N5 C8 C9 1.0(4) . . . .
C12 N5 C8 C7 -178.5(2) . . . .
N2 C7 C8 N5 11.8(3) . . . .
N3 C7 C8 N5 -168.9(2) . . . .
N2 C7 C8 C9 -167.6(2) . . . .
N3 C7 C8 C9 11.6(3) . . . .
N5 C8 C9 C10 -0.5(4) . . . .
C7 C8 C9 C10 178.9(2) . . . .
C8 C9 C10 C11 -0.4(4) . . . .
C9 C10 C11 C12 0.7(4) . . . .
C8 N5 C12 C11 -0.6(5) . . . .
C10 C11 C12 N5 -0.2(5) . . . .
C7 N3 C13 N1 -1.0(3) . . . .
C7 N3 C13 C14 178.7(2) . . . .
C1 N1 C13 N3 2.2(3) . . . .
Ni1 N1 C13 N3 -177.71(18) . . . .
C1 N1 C13 C14 -177.5(2) . . . .
Ni1 N1 C13 C14 2.6(3) . . . .
C18 N6 C14 C15 1.4(4) . . . .
Ni1 N6 C14 C15 -177.59(18) . . . .
C18 N6 C14 C13 -178.8(2) . . . .
Ni1 N6 C14 C13 2.2(3) . . . .
N3 C13 C14 N6 177.2(2) . . . .
N1 C13 C14 N6 -3.1(3) . . . .
N3 C13 C14 C15 -3.0(4) . . . .
N1 C13 C14 C15 176.8(2) . . . .
N6 C14 C15 C16 -1.2(4) . . . .
C13 C14 C15 C16 179.0(2) . . . .
C14 C15 C16 C17 0.3(4) . . . .
C15 C16 C17 C18 0.3(4) . . . .
C14 N6 C18 C17 -0.7(4) . . . .
Ni1 N6 C18 C17 178.08(19) . . . .
C16 C17 C18 N6 -0.1(4) . . . .
C23 N7 C19 C20 -1.8(4) . . . .
Ni1 N7 C19 C20 178.39(19) . . . .
N7 C19 C20 C21 -0.1(4) . . . .
C19 C20 C21 C22 1.9(4) . . . .
C20 C21 C22 C23 -1.8(4) . . . .
C19 N7 C23 C22 2.0(4) . . . .
Ni1 N7 C23 C22 -178.2(2) . . . .
C21 C22 C23 N7 -0.2(5) . . . .
