#------------------------------------------------------------------------------
#$Date: 2021-10-06 17:52:44 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269682 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/32/7243277.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_7243277
loop_
_publ_author_name
'Nezhadali Baghan, Zahra'
'Salimi, Alireza'
'Eshtiagh-Hosseini, Hossein'
'Oliver, Allen G.'
_publ_section_title
;
 Hydrogen bond synthons affect the coordination geometry of d10-metal
 halide complexes: synthetic methods, theoretical studies, and
 supramolecular architectures
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              6276
_journal_page_last               6290
_journal_paper_doi               10.1039/D1CE00747E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C20 H16 Cl2 N8 O2 Zn'
_chemical_formula_sum            'C20 H16 Cl2 N8 O2 Zn'
_chemical_formula_weight         536.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-10-18 deposited with the CCDC.	2021-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                79.8560(10)
_cell_angle_beta                 89.9800(10)
_cell_angle_gamma                74.4990(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5409(7)
_cell_length_b                   11.8032(11)
_cell_length_c                   13.1436(13)
_cell_measurement_reflns_used    8896
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.62
_cell_volume                     1108.35(18)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2015)'
_computing_data_collection       'Bruker APEX-3 (Bruker, 2015)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2015)'
_computing_molecular_graphics    'Bruker XP (Bruker, 2015)'
_computing_publication_material  'CIFTAB (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT-2014/2 (Sheldrick, 2015)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of ω and φ-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  0.0276
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21812
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.415
_diffrn_reflns_theta_min         1.576
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  0.3678
_exptl_absorpt_correction_T_min  0.2518
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.172
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.114
_refine_diff_density_max         0.376
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0246P)²+0.5126P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0601
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4874
_reflns_number_total             5562
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00747e2.cif
_cod_data_source_block           umi1715
_cod_depositor_comments
'Adding full bibliography for 7243273--7243277.cif.'
_cod_database_code               7243277
_shelx_shelxl_version_number     2014/7
_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   0.797
_shelx_estimated_absorpt_t_max   0.858
loop_
_space_group_symop_operation_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_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
Zn1 Zn 0.20978(2) 0.56326(2) 0.73496(2) 0.01478(5) Uani 1 1 d . . . . .
Cl1 Cl -0.00276(5) 0.73845(3) 0.72179(3) 0.02024(8) Uani 1 1 d . . . . .
Cl2 Cl 0.48933(5) 0.56705(4) 0.68414(3) 0.02216(9) Uani 1 1 d . . . . .
O1 O 0.2862(2) 0.11863(11) 0.90292(9) 0.0332(3) Uani 1 1 d . . . . .
O2 O 0.58921(15) 0.22083(10) 0.56814(9) 0.0225(2) Uani 1 1 d . . . . .
N1 N 0.22849(17) 0.48089(11) 0.88701(10) 0.0166(3) Uani 1 1 d . . . . .
N2 N 0.2320(2) 0.19328(12) 1.05273(10) 0.0204(3) Uani 1 1 d . . . . .
H2N H 0.212(3) 0.1736(17) 1.1124(15) 0.025(5) Uiso 1 1 d . . . . .
N3 N 0.2593(3) -0.21615(14) 1.06083(12) 0.0402(4) Uani 1 1 d . . . . .
N4 N 0.21451(19) -0.01738(12) 1.15661(10) 0.0202(3) Uani 1 1 d . . . . .
N5 N 0.12653(17) 0.44887(11) 0.65795(9) 0.0154(2) Uani 1 1 d . . . . .
N6 N 0.31380(18) 0.23347(12) 0.48733(10) 0.0169(3) Uani 1 1 d . . . . .
H6N H 0.268(3) 0.2147(17) 0.4356(15) 0.024(5) Uiso 1 1 d . . . . .
N7 N 0.86677(19) -0.01542(12) 0.38305(10) 0.0207(3) Uani 1 1 d . . . . .
N8 N 0.48934(19) 0.10143(12) 0.35233(10) 0.0216(3) Uani 1 1 d . . . . .
C1 C 0.2235(2) 0.36667(13) 0.91606(12) 0.0186(3) Uani 1 1 d . . . . .
H1 H 0.2054 0.3230 0.8646 0.022 Uiso 1 1 calc R U . . .
C2 C 0.2440(2) 0.31088(13) 1.01956(12) 0.0173(3) Uani 1 1 d . . . . .
C3 C 0.2771(2) 0.37441(14) 1.09412(12) 0.0198(3) Uani 1 1 d . . . . .
H3 H 0.2968 0.3376 1.1650 0.024 Uiso 1 1 calc R U . . .
C4 C 0.2808(2) 0.49141(14) 1.06329(12) 0.0219(3) Uani 1 1 d . . . . .
H4 H 0.3017 0.5365 1.1130 0.026 Uiso 1 1 calc R U . . .
C5 C 0.2539(2) 0.54295(14) 0.95931(12) 0.0196(3) Uani 1 1 d . . . . .
H5 H 0.2534 0.6243 0.9388 0.023 Uiso 1 1 calc R U . . .
C6 C 0.2539(2) 0.10663(14) 0.99479(12) 0.0216(3) Uani 1 1 d . . . . .
C7 C 0.2404(2) -0.01101(14) 1.05527(12) 0.0194(3) Uani 1 1 d . . . . .
C8 C 0.2599(3) -0.10888(15) 1.00727(13) 0.0295(4) Uani 1 1 d . . . . .
H8 H 0.2739 -0.0996 0.9347 0.035 Uiso 1 1 calc R U . . .
C9 C 0.2365(3) -0.22200(16) 1.16214(14) 0.0356(5) Uani 1 1 d . . . . .
H9 H 0.2371 -0.2969 1.2032 0.043 Uiso 1 1 calc R U . . .
C10 C 0.2121(2) -0.12405(15) 1.21015(12) 0.0247(4) Uani 1 1 d . . . . .
H10 H 0.1933 -0.1328 1.2823 0.030 Uiso 1 1 calc R U . . .
C11 C 0.2477(2) 0.37713(13) 0.60575(11) 0.0167(3) Uani 1 1 d . . . . .
H11 H 0.3743 0.3751 0.6102 0.020 Uiso 1 1 calc R U . . .
C12 C 0.1917(2) 0.30583(13) 0.54540(11) 0.0151(3) Uani 1 1 d . . . . .
C13 C 0.0056(2) 0.30868(13) 0.54069(11) 0.0168(3) Uani 1 1 d . . . . .
H13 H -0.0362 0.2602 0.5009 0.020 Uiso 1 1 calc R U . . .
C14 C -0.1173(2) 0.38280(14) 0.59463(12) 0.0183(3) Uani 1 1 d . . . . .
H14 H -0.2445 0.3861 0.5922 0.022 Uiso 1 1 calc R U . . .
C15 C -0.0524(2) 0.45206(14) 0.65209(12) 0.0178(3) Uani 1 1 d . . . . .
H15 H -0.1372 0.5035 0.6886 0.021 Uiso 1 1 calc R U . . .
C16 C 0.5004(2) 0.19627(13) 0.50151(11) 0.0170(3) Uani 1 1 d . . . . .
C17 C 0.5926(2) 0.11642(13) 0.42878(11) 0.0160(3) Uani 1 1 d . . . . .
C18 C 0.7787(2) 0.05843(14) 0.44468(12) 0.0191(3) Uani 1 1 d . . . . .
H18 H 0.8457 0.0713 0.5007 0.023 Uiso 1 1 calc R U . . .
C19 C 0.7644(2) -0.02827(14) 0.30565(12) 0.0212(3) Uani 1 1 d . . . . .
H19 H 0.8213 -0.0786 0.2591 0.025 Uiso 1 1 calc R U . . .
C20 C 0.5783(2) 0.02885(15) 0.29044(13) 0.0236(3) Uani 1 1 d . . . . .
H20 H 0.5115 0.0161 0.2342 0.028 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N5 Zn1 N1 103.66(5) . . ?
N5 Zn1 Cl2 106.99(4) . . ?
N1 Zn1 Cl2 109.18(4) . . ?
N5 Zn1 Cl1 111.97(4) . . ?
N1 Zn1 Cl1 106.93(4) . . ?
Cl2 Zn1 Cl1 117.259(17) . . ?
C5 N1 C1 119.37(13) . . ?
C5 N1 Zn1 117.94(10) . . ?
C1 N1 Zn1 122.64(10) . . ?
C6 N2 C2 126.87(14) . . ?
C6 N2 H2N 115.1(14) . . ?
C2 N2 H2N 118.0(14) . . ?
C9 N3 C8 115.86(16) . . ?
C10 N4 C7 116.51(14) . . ?
C15 N5 C11 119.53(13) . . ?
C15 N5 Zn1 119.91(10) . . ?
C11 N5 Zn1 120.34(10) . . ?
C16 N6 C12 126.31(13) . . ?
C16 N6 H6N 116.5(13) . . ?
C12 N6 H6N 117.1(13) . . ?
C19 N7 C18 115.73(14) . . ?
C20 N8 C17 115.59(14) . . ?
N1 C1 C2 121.72(14) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C1 C2 C3 118.67(14) . . ?
C1 C2 N2 123.06(14) . . ?
C3 C2 N2 118.27(14) . . ?
C4 C3 C2 118.90(14) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 119.59(15) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 121.67(14) . . ?
N1 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
O1 C6 N2 125.09(15) . . ?
O1 C6 C7 121.51(14) . . ?
N2 C6 C7 113.37(13) . . ?
N4 C7 C8 122.17(15) . . ?
N4 C7 C6 117.28(14) . . ?
C8 C7 C6 120.52(14) . . ?
N3 C8 C7 121.46(16) . . ?
N3 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
N3 C9 C10 123.03(16) . . ?
N3 C9 H9 118.5 . . ?
C10 C9 H9 118.5 . . ?
N4 C10 C9 120.93(15) . . ?
N4 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
N5 C11 C12 121.51(14) . . ?
N5 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C13 118.57(14) . . ?
C11 C12 N6 122.73(14) . . ?
C13 C12 N6 118.67(13) . . ?
C14 C13 C12 119.29(14) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C15 C14 C13 119.03(14) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N5 C15 C14 122.06(14) . . ?
N5 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
O2 C16 N6 124.91(14) . . ?
O2 C16 C17 121.35(14) . . ?
N6 C16 C17 113.70(13) . . ?
N8 C17 C18 122.41(14) . . ?
N8 C17 C16 118.17(13) . . ?
C18 C17 C16 119.40(13) . . ?
N7 C18 C17 121.72(14) . . ?
N7 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
N7 C19 C20 122.47(15) . . ?
N7 C19 H19 118.8 . . ?
C20 C19 H19 118.8 . . ?
N8 C20 C19 122.06(15) . . ?
N8 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
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
Zn1 N5 2.0436(13) . ?
Zn1 N1 2.0497(12) . ?
Zn1 Cl2 2.2206(5) . ?
Zn1 Cl1 2.2309(4) . ?
O1 C6 1.2229(19) . ?
O2 C16 1.2219(19) . ?
N1 C5 1.340(2) . ?
N1 C1 1.3458(19) . ?
N2 C6 1.355(2) . ?
N2 C2 1.407(2) . ?
N2 H2N 0.80(2) . ?
N3 C9 1.335(2) . ?
N3 C8 1.337(2) . ?
N4 C10 1.335(2) . ?
N4 C7 1.338(2) . ?
N5 C15 1.342(2) . ?
N5 C11 1.3468(19) . ?
N6 C16 1.360(2) . ?
N6 C12 1.4029(19) . ?
N6 H6N 0.852(19) . ?
N7 C19 1.331(2) . ?
N7 C18 1.340(2) . ?
N8 C20 1.335(2) . ?
N8 C17 1.336(2) . ?
C1 C2 1.392(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.394(2) . ?
C3 C4 1.377(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(2) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.502(2) . ?
C7 C8 1.386(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.383(2) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.393(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(2) . ?
C13 C14 1.383(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(2) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.501(2) . ?
C17 C18 1.385(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
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
N2 H2N Cl1 0.80(2) 2.87(2) 3.5377(14) 141.9(17) 2_567
N2 H2N N4 0.80(2) 2.221(19) 2.6541(19) 114.2(16) .
N6 H6N Cl1 0.852(19) 2.75(2) 3.5262(14) 151.4(16) 2_566
N6 H6N N8 0.852(19) 2.258(19) 2.6831(19) 110.9(15) .
C1 H1 O1 0.95 2.29 2.874(2) 119.4 .
C3 H3 Cl1 0.95 2.92 3.4990(16) 120.5 2_567
C4 H4 Cl2 0.95 2.99 3.6137(17) 124.9 2_667
C5 H5 N3 0.95 2.69 3.356(2) 127.8 1_565
C10 H10 O2 0.95 2.45 3.156(2) 130.9 2_657
C11 H11 Cl2 0.95 2.94 3.5219(16) 120.6 .
C11 H11 O2 0.95 2.24 2.8390(19) 120.1 .
C13 H13 Cl1 0.95 2.94 3.5909(16) 127.0 2_566
C14 H14 Cl2 0.95 2.94 3.5160(16) 120.0 1_455
C14 H14 O2 0.95 2.65 3.3420(19) 130.5 1_455
C15 H15 Cl2 0.95 2.71 3.4137(16) 131.3 1_455
C18 H18 N7 0.95 2.52 3.377(2) 150.1 2_756
C19 H19 O1 0.95 2.44 3.170(2) 133.0 2_656
C20 H20 N4 0.95 2.61 3.472(2) 150.6 1_554
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
C5 N1 C1 C2 0.0(2) . . . . ?
Zn1 N1 C1 C2 177.31(11) . . . . ?
N1 C1 C2 C3 -2.3(2) . . . . ?
N1 C1 C2 N2 177.38(15) . . . . ?
C6 N2 C2 C1 20.8(3) . . . . ?
C6 N2 C2 C3 -159.49(16) . . . . ?
C1 C2 C3 C4 2.6(2) . . . . ?
N2 C2 C3 C4 -177.08(15) . . . . ?
C2 C3 C4 C5 -0.8(2) . . . . ?
C1 N1 C5 C4 2.0(2) . . . . ?
Zn1 N1 C5 C4 -175.44(12) . . . . ?
C3 C4 C5 N1 -1.6(2) . . . . ?
C2 N2 C6 O1 -0.8(3) . . . . ?
C2 N2 C6 C7 177.49(15) . . . . ?
C10 N4 C7 C8 1.3(2) . . . . ?
C10 N4 C7 C6 -176.74(15) . . . . ?
O1 C6 C7 N4 176.49(16) . . . . ?
N2 C6 C7 N4 -1.8(2) . . . . ?
O1 C6 C7 C8 -1.6(3) . . . . ?
N2 C6 C7 C8 -179.95(16) . . . . ?
C9 N3 C8 C7 0.9(3) . . . . ?
N4 C7 C8 N3 -2.1(3) . . . . ?
C6 C7 C8 N3 175.96(18) . . . . ?
C8 N3 C9 C10 0.9(3) . . . . ?
C7 N4 C10 C9 0.4(3) . . . . ?
N3 C9 C10 N4 -1.6(3) . . . . ?
C15 N5 C11 C12 0.1(2) . . . . ?
Zn1 N5 C11 C12 -174.44(11) . . . . ?
N5 C11 C12 C13 -0.8(2) . . . . ?
N5 C11 C12 N6 177.69(13) . . . . ?
C16 N6 C12 C11 19.2(2) . . . . ?
C16 N6 C12 C13 -162.36(14) . . . . ?
C11 C12 C13 C14 0.8(2) . . . . ?
N6 C12 C13 C14 -177.74(13) . . . . ?
C12 C13 C14 C15 -0.1(2) . . . . ?
C11 N5 C15 C14 0.7(2) . . . . ?
Zn1 N5 C15 C14 175.18(11) . . . . ?
C13 C14 C15 N5 -0.6(2) . . . . ?
C12 N6 C16 O2 0.2(3) . . . . ?
C12 N6 C16 C17 178.25(13) . . . . ?
C20 N8 C17 C18 -1.5(2) . . . . ?
C20 N8 C17 C16 -179.56(14) . . . . ?
O2 C16 C17 N8 -174.43(15) . . . . ?
N6 C16 C17 N8 7.5(2) . . . . ?
O2 C16 C17 C18 7.5(2) . . . . ?
N6 C16 C17 C18 -170.64(14) . . . . ?
C19 N7 C18 C17 0.6(2) . . . . ?
N8 C17 C18 N7 0.8(2) . . . . ?
C16 C17 C18 N7 178.83(14) . . . . ?
C18 N7 C19 C20 -1.2(2) . . . . ?
C17 N8 C20 C19 0.9(2) . . . . ?
N7 C19 C20 N8 0.4(3) . . . . ?
