#------------------------------------------------------------------------------
#$Date: 2023-11-23 15:32:18 +0200 (Thu, 23 Nov 2023) $
#$Revision: 287754 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/76/8107666.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_8107666
loop_
_publ_author_name
'Mao, Qian'
'Wang, Yanfei'
'Zhang, Zhonghua'
'Ji, Jinlan'
_publ_section_title
;
 The crystal structure of catena-poly[(μ
 2-2H-1,2,3-triazole-4,5-dicarboxylato-κ 2 O, O′)-(μ
 2-1,3-bis((1H-imidazol-1-yl)methyl)benzene-κ 2 N,N′) zinc(II)],
 C18H15N7O4Zn
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1081
_journal_page_last               1083
_journal_paper_doi               10.1515/ncrs-2023-0323
_journal_volume                  238
_journal_year                    2023
_chemical_formula_moiety         'C18 H15 N7 O4 Zn'
_chemical_formula_sum            'C18 H15 N7 O4 Zn'
_chemical_formula_weight         458.74
_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   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                95.238(5)
_cell_angle_beta                 112.154(7)
_cell_angle_gamma                112.971(7)
_cell_formula_units_Z            2
_cell_length_a                   9.1100(8)
_cell_length_b                   10.6451(7)
_cell_length_c                   12.0479(8)
_cell_measurement_reflns_used    3852
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      32.3820
_cell_measurement_theta_min      2.4710
_cell_volume                     956.55(16)
_computing_cell_refinement       'CrysAlisPro 1.171.39.34a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.34a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.34a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      298.15
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -70.00  34.00   1.00   10.00    --   30.00  54.00  90.00  104
  2  ω    -56.00 -31.00   1.00   10.00    --   30.00  54.00-180.00   25
  3  ω     33.00  59.00   1.00   10.00    --   30.00  54.00-180.00   26
  4  ω    -74.00 109.00   1.00   10.00    --   30.00  54.00 -30.00  183
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0271338000
_diffrn_orient_matrix_UB_12      -0.0163259000
_diffrn_orient_matrix_UB_13      -0.0651788000
_diffrn_orient_matrix_UB_21      0.0569308000
_diffrn_orient_matrix_UB_22      0.0715085000
_diffrn_orient_matrix_UB_23      0.0069061000
_diffrn_orient_matrix_UB_31      0.0706487000
_diffrn_orient_matrix_UB_32      -0.0173691000
_diffrn_orient_matrix_UB_33      0.0093523000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5299
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.097
_diffrn_reflns_theta_max         25.097
_diffrn_reflns_theta_min         2.449
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.326
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.34a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0264
_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)+(0.0370P)²+0.2726P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0731
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3113
_reflns_number_total             3397
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2023-0323_suppl_001.cif
_cod_data_source_block           f
_cod_original_cell_volume        956.56(13)
_cod_database_code               8107666
_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_max   0.826
_shelx_estimated_absorpt_t_min   0.708
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C8(H8A,H8B)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C16(H16), C6(H6), C17(H17), C5(H5), C14(H14), C7(H7), C12(H12),
 C10(H10), C11(H11)
2.c Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.117
_oxdiff_exptl_absorpt_empirical_full_min 0.917
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 0.87434(3) 0.82194(2) 0.05284(2) 0.02718(10) Uani 1 1 d . . . . .
O1 O 0.57230(19) 0.71680(17) -0.00756(15) 0.0419(4) Uani 1 1 d . . . . .
O2 O 0.3328(2) 0.7499(2) -0.10723(18) 0.0548(5) Uani 1 1 d . . . . .
N1 N 0.7839(2) 0.94259(16) -0.05066(15) 0.0258(3) Uani 1 1 d . . . . .
O3 O 0.2637(2) 0.9101(2) -0.2384(2) 0.0597(5) Uani 1 1 d . . . . .
H3 H 0.291753 0.868132 -0.186709 0.089 Uiso 1 1 calc R U . . .
N7 N 0.8489(2) 0.64430(17) 0.95727(15) 0.0293(4) Uani 1 1 d . . . . .
N2 N 0.8549(2) 1.05215(17) -0.09257(16) 0.0295(4) Uani 1 1 d . . . . .
N6 N 0.8794(2) 0.50027(18) 0.83539(16) 0.0320(4) Uani 1 1 d . . . . .
N3 N 0.7315(2) 1.08518(18) -0.16350(17) 0.0316(4) Uani 1 1 d . . . . .
O4 O 0.4019(2) 1.07885(19) -0.30825(19) 0.0579(5) Uani 1 1 d . . . . .
N4 N 0.9107(2) 0.82373(18) 0.22759(15) 0.0309(4) Uani 1 1 d . . . . .
N5 N 0.8448(3) 0.7734(2) 0.38047(17) 0.0407(5) Uani 1 1 d . . . . .
C2 C 0.5761(2) 0.9945(2) -0.16769(18) 0.0276(4) Uani 1 1 d . . . . .
C1 C 0.6087(2) 0.9048(2) -0.09637(18) 0.0257(4) Uani 1 1 d . . . . .
C18 C 0.7270(3) 0.5061(2) 0.9364(2) 0.0361(5) Uani 1 1 d . . . . .
H18 H 0.645613 0.478529 0.969200 0.043 Uiso 1 1 calc R U . . .
C3 C 0.4070(3) 0.9992(2) -0.2444(2) 0.0393(5) Uani 1 1 d . . . . .
C16 C 0.9385(3) 0.6350(2) 0.89491(19) 0.0324(5) Uani 1 1 d . . . . .
H16 H 1.030667 0.712461 0.892832 0.039 Uiso 1 1 calc R U . . .
C4 C 0.4958(3) 0.7804(2) -0.0673(2) 0.0340(5) Uani 1 1 d . . . . .
C6 C 1.0643(3) 0.8929(3) 0.3392(2) 0.0405(5) Uani 1 1 d . . . . .
H6 H 1.177359 0.951246 0.347882 0.049 Uiso 1 1 calc R U . . .
C15 C 0.9313(3) 0.4518(3) 0.7447(2) 0.0412(5) Uani 1 1 d . . . . .
H15A H 0.919124 0.357188 0.745122 0.049 Uiso 1 1 calc R U . . .
H15B H 1.055389 0.514977 0.768145 0.049 Uiso 1 1 calc R U . . .
C13 C 0.8149(3) 0.4496(2) 0.6151(2) 0.0382(5) Uani 1 1 d . . . . .
C17 C 0.7447(3) 0.4177(2) 0.8612(2) 0.0397(5) Uani 1 1 d . . . . .
H17 H 0.678055 0.319325 0.832184 0.048 Uiso 1 1 calc R U . . .
C5 C 0.7829(3) 0.7542(2) 0.2580(2) 0.0366(5) Uani 1 1 d . . . . .
H5 H 0.663746 0.698487 0.200632 0.044 Uiso 1 1 calc R U . . .
C14 C 0.8345(3) 0.5765(2) 0.5851(2) 0.0389(5) Uani 1 1 d . . . . .
H14 H 0.926337 0.661864 0.643305 0.047 Uiso 1 1 calc R U . . .
C7 C 1.0242(3) 0.8621(3) 0.4340(2) 0.0469(6) Uani 1 1 d . . . . .
H7 H 1.103066 0.894850 0.518622 0.056 Uiso 1 1 calc R U . . .
C9 C 0.7208(4) 0.5793(3) 0.4708(2) 0.0445(6) Uani 1 1 d . . . . .
C12 C 0.6794(4) 0.3235(3) 0.5264(2) 0.0508(6) Uani 1 1 d . . . . .
H12 H 0.664164 0.237358 0.544294 0.061 Uiso 1 1 calc R U . . .
C8 C 0.7354(4) 0.7187(3) 0.4458(3) 0.0540(7) Uani 1 1 d . . . . .
H8A H 0.616362 0.706903 0.395952 0.065 Uiso 1 1 calc R U . . .
H8B H 0.786585 0.788705 0.524613 0.065 Uiso 1 1 calc R U . . .
C10 C 0.5860(4) 0.4508(3) 0.3834(2) 0.0591(7) Uani 1 1 d . . . . .
H10 H 0.509172 0.450408 0.305874 0.071 Uiso 1 1 calc R U . . .
C11 C 0.5661(4) 0.3246(3) 0.4113(3) 0.0647(8) Uani 1 1 d . . . . .
H11 H 0.475905 0.239172 0.352403 0.078 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'
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
N1 Zn1 O1 75.36(6) . .
N1 Zn1 N2 94.04(6) . 2_775
N7 Zn1 O1 90.52(6) 1_554 .
N7 Zn1 N1 116.54(7) 1_554 .
N7 Zn1 N2 95.12(7) 1_554 2_775
N2 Zn1 O1 169.37(6) 2_775 .
N4 Zn1 O1 87.60(6) . .
N4 Zn1 N1 126.86(7) . .
N4 Zn1 N7 113.49(7) . 1_554
N4 Zn1 N2 98.35(7) . 2_775
C4 O1 Zn1 113.54(12) . .
N2 N1 Zn1 136.00(12) . .
N2 N1 C1 106.94(16) . .
C1 N1 Zn1 116.97(13) . .
C3 O3 H3 109.5 . .
C18 N7 Zn1 127.25(15) . 1_556
C16 N7 Zn1 127.23(13) . 1_556
C16 N7 C18 105.42(18) . .
N1 N2 Zn1 129.68(12) . 2_775
N3 N2 Zn1 119.18(12) . 2_775
N3 N2 N1 111.03(15) . .
C16 N6 C15 126.07(19) . .
C16 N6 C17 107.24(18) . .
C17 N6 C15 126.14(19) . .
N2 N3 C2 106.77(16) . .
C6 N4 Zn1 130.12(15) . .
C5 N4 Zn1 124.58(14) . .
C5 N4 C6 105.31(17) . .
C5 N5 C7 107.36(19) . .
C5 N5 C8 125.5(2) . .
C7 N5 C8 126.9(2) . .
N3 C2 C1 108.12(16) . .
N3 C2 C3 120.64(18) . .
C1 C2 C3 131.20(18) . .
N1 C1 C2 107.13(16) . .
N1 C1 C4 117.87(17) . .
C2 C1 C4 134.93(18) . .
N7 C18 H18 125.4 . .
C17 C18 N7 109.22(19) . .
C17 C18 H18 125.4 . .
O3 C3 C2 115.99(19) . .
O4 C3 O3 122.0(2) . .
O4 C3 C2 122.0(2) . .
N7 C16 N6 111.27(18) . .
N7 C16 H16 124.4 . .
N6 C16 H16 124.4 . .
O1 C4 O2 127.01(19) . .
O1 C4 C1 116.12(17) . .
O2 C4 C1 116.87(19) . .
N4 C6 H6 125.4 . .
C7 C6 N4 109.1(2) . .
C7 C6 H6 125.4 . .
N6 C15 H15A 109.6 . .
N6 C15 H15B 109.6 . .
N6 C15 C13 110.35(18) . .
H15A C15 H15B 108.1 . .
C13 C15 H15A 109.6 . .
C13 C15 H15B 109.6 . .
C14 C13 C15 120.1(2) . .
C12 C13 C15 121.4(2) . .
C12 C13 C14 118.3(2) . .
N6 C17 H17 126.6 . .
C18 C17 N6 106.84(19) . .
C18 C17 H17 126.6 . .
N4 C5 N5 111.8(2) . .
N4 C5 H5 124.1 . .
N5 C5 H5 124.1 . .
C13 C14 H14 119.1 . .
C9 C14 C13 121.8(2) . .
C9 C14 H14 119.1 . .
N5 C7 H7 126.8 . .
C6 C7 N5 106.3(2) . .
C6 C7 H7 126.8 . .
C14 C9 C8 120.4(2) . .
C14 C9 C10 118.6(2) . .
C10 C9 C8 120.8(2) . .
C13 C12 H12 119.8 . .
C13 C12 C11 120.5(3) . .
C11 C12 H12 119.8 . .
N5 C8 C9 114.0(2) . .
N5 C8 H8A 108.8 . .
N5 C8 H8B 108.8 . .
C9 C8 H8A 108.8 . .
C9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
C9 C10 H10 119.9 . .
C11 C10 C9 120.1(2) . .
C11 C10 H10 119.9 . .
C12 C11 H11 119.7 . .
C10 C11 C12 120.6(3) . .
C10 C11 H11 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.3002(15) .
Zn1 N1 2.0561(16) .
Zn1 N7 2.0035(17) 1_554
Zn1 N2 2.1261(16) 2_775
Zn1 N4 2.0012(16) .
O1 C4 1.242(3) .
O2 C4 1.264(3) .
N1 N2 1.341(2) .
N1 C1 1.345(2) .
O3 H3 0.8200 .
O3 C3 1.313(3) .
N7 C18 1.381(3) .
N7 C16 1.323(3) .
N2 N3 1.326(2) .
N6 C16 1.334(3) .
N6 C15 1.470(3) .
N6 C17 1.368(3) .
N3 C2 1.345(3) .
O4 C3 1.199(3) .
N4 C6 1.380(3) .
N4 C5 1.317(3) .
N5 C5 1.328(3) .
N5 C7 1.367(3) .
N5 C8 1.475(3) .
C2 C1 1.384(3) .
C2 C3 1.492(3) .
C1 C4 1.493(3) .
C18 H18 0.9300 .
C18 C17 1.343(3) .
C16 H16 0.9300 .
C6 H6 0.9300 .
C6 C7 1.355(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C13 1.513(3) .
C13 C14 1.392(3) .
C13 C12 1.385(3) .
C17 H17 0.9300 .
C5 H5 0.9300 .
C14 H14 0.9300 .
C14 C9 1.388(3) .
C7 H7 0.9300 .
C9 C8 1.506(3) .
C9 C10 1.393(4) .
C12 H12 0.9300 .
C12 C11 1.386(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C10 H10 0.9300 .
C10 C11 1.375(4) .
C11 H11 0.9300 .
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
_geom_hbond_publ_flag
O3 H3 O2 0.82 1.72 2.526(2) 167.2 . yes
C5 H5 O1 0.93 2.38 2.936(3) 118.2 . yes
C8 H8A O4 0.97 2.64 3.186(3) 116.2 2_675 yes
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
Zn1 O1 C4 O2 -176.9(2) . . . .
Zn1 O1 C4 C1 4.2(2) . . . .
Zn1 N1 N2 Zn1 -7.7(3) . . . 2_775
Zn1 N1 N2 N3 176.12(14) . . . .
Zn1 N1 C1 C2 -176.80(13) . . . .
Zn1 N1 C1 C4 0.6(2) . . . .
Zn1 N7 C18 C17 175.80(15) 1_556 . . .
Zn1 N7 C16 N6 -175.92(13) 1_556 . . .
Zn1 N2 N3 C2 -176.67(13) 2_775 . . .
Zn1 N4 C6 C7 -179.74(16) . . . .
Zn1 N4 C5 N5 179.46(14) . . . .
N1 N2 N3 C2 0.0(2) . . . .
N1 C1 C4 O1 -3.5(3) . . . .
N1 C1 C4 O2 177.5(2) . . . .
N7 C18 C17 N6 0.6(3) . . . .
N2 N1 C1 C2 0.3(2) . . . .
N2 N1 C1 C4 177.75(17) . . . .
N2 N3 C2 C1 0.2(2) . . . .
N2 N3 C2 C3 -177.73(18) . . . .
N6 C15 C13 C14 71.2(3) . . . .
N6 C15 C13 C12 -104.3(3) . . . .
N3 C2 C1 N1 -0.3(2) . . . .
N3 C2 C1 C4 -177.1(2) . . . .
N3 C2 C3 O3 -177.4(2) . . . .
N3 C2 C3 O4 3.1(4) . . . .
N4 C6 C7 N5 0.1(3) . . . .
C2 C1 C4 O1 173.1(2) . . . .
C2 C1 C4 O2 -6.0(4) . . . .
C1 N1 N2 Zn1 176.00(14) . . . 2_775
C1 N1 N2 N3 -0.2(2) . . . .
C1 C2 C3 O3 5.2(4) . . . .
C1 C2 C3 O4 -174.3(2) . . . .
C18 N7 C16 N6 0.6(2) . . . .
C3 C2 C1 N1 177.3(2) . . . .
C3 C2 C1 C4 0.5(4) . . . .
C16 N7 C18 C17 -0.8(2) . . . .
C16 N6 C15 C13 -86.3(3) . . . .
C16 N6 C17 C18 -0.2(2) . . . .
C6 N4 C5 N5 -0.6(3) . . . .
C15 N6 C16 N7 171.56(18) . . . .
C15 N6 C17 C18 -172.04(19) . . . .
C15 C13 C14 C9 -174.6(2) . . . .
C15 C13 C12 C11 175.3(2) . . . .
C13 C14 C9 C8 174.5(2) . . . .
C13 C14 C9 C10 -1.3(4) . . . .
C13 C12 C11 C10 -0.3(5) . . . .
C17 N6 C16 N7 -0.3(2) . . . .
C17 N6 C15 C13 84.0(3) . . . .
C5 N4 C6 C7 0.3(3) . . . .
C5 N5 C7 C6 -0.4(3) . . . .
C5 N5 C8 C9 95.3(3) . . . .
C14 C13 C12 C11 -0.3(4) . . . .
C14 C9 C8 N5 95.6(3) . . . .
C14 C9 C10 C11 0.7(4) . . . .
C7 N5 C5 N4 0.6(3) . . . .
C7 N5 C8 C9 -90.8(3) . . . .
C9 C10 C11 C12 0.1(5) . . . .
C12 C13 C14 C9 1.1(3) . . . .
C8 N5 C5 N4 175.5(2) . . . .
C8 N5 C7 C6 -175.2(2) . . . .
C8 C9 C10 C11 -175.1(3) . . . .
C10 C9 C8 N5 -88.7(3) . . . .
