#------------------------------------------------------------------------------
#$Date: 2019-11-19 10:34:32 +0200 (Tue, 19 Nov 2019) $
#$Revision: 231035 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/51/7235183.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_7235183
loop_
_publ_author_name
'Shruti Mendiratta'
'Muhammad Usman'
'Chun-Chi Chang'
'Yung-Chi Lee'
'Jenq-Wei Chen'
'Maw-Kuen Wu'
'Ying-Chih Lin'
'Chao-Ping Hsu'
'Kuang-Lieh Lu'
_publ_section_title
;
 Zn(ii)-based metal-organic framework: an exceptionally thermally stable,
 guest-free low dielectric material
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1508
_journal_page_last               1513
_journal_paper_doi               10.1039/C6TC05314A
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C42 H26 N12 Zn2'
_chemical_formula_sum            'C42 H26 N12 Zn2'
_chemical_formula_weight         829.49
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_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                99.852(2)
_cell_angle_beta                 96.899(2)
_cell_angle_gamma                116.498(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6285(3)
_cell_length_b                   9.8729(3)
_cell_length_c                   10.6722(4)
_cell_measurement_reflns_used    13124
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      2.037
_cell_volume                     872.06(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_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  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10529
_diffrn_reflns_theta_full        25.64
_diffrn_reflns_theta_max         25.64
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    1.428
_exptl_absorpt_correction_T_max  0.9320
_exptl_absorpt_correction_T_min  0.5989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             422
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.155
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         5839
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0532
_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)+(0.1029P)²+0.7068P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1330
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                5100
_reflns_number_total             5839
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            J-Mater-Chem-C-2017-5-1508.cif
_cod_data_source_block           11790
_cod_database_code               7235183
loop_
_symmetry_equiv_pos_as_xyz
'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
Zn1 Zn 0.69403(8) 0.66544(8) 0.74408(8) 0.0301(3) Uani 1 1 d . . .
Zn2 Zn 1.30139(7) 0.98609(7) 0.70436(7) 0.0275(2) Uani 1 1 d . . .
C1 C 0.9872(8) 0.7502(9) 0.6523(8) 0.0266(16) Uani 1 1 d . . .
C2 C 1.0299(9) 0.8216(9) 0.7903(8) 0.0280(16) Uani 1 1 d . . .
C3 C 1.0112(9) 0.8775(9) 0.9874(8) 0.0286(16) Uani 1 1 d . . .
C4 C 0.9672(10) 0.8909(11) 1.1066(8) 0.0370(19) Uani 1 1 d . . .
H4 H 0.8610 0.8278 1.1131 0.044 Uiso 1 1 calc R . .
C5 C 1.0807(11) 0.9975(11) 1.2146(8) 0.042(2) Uani 1 1 d . . .
H5 H 1.0525 1.0086 1.2966 0.050 Uiso 1 1 calc R . .
C6 C 1.2374(10) 1.0900(11) 1.2053(9) 0.042(2) Uani 1 1 d . . .
H6 H 1.3137 1.1628 1.2814 0.051 Uiso 1 1 calc R . .
C7 C 1.2839(9) 1.0781(9) 1.0885(8) 0.0336(18) Uani 1 1 d . . .
H7 H 1.3904 1.1411 1.0826 0.040 Uiso 1 1 calc R . .
C8 C 1.1686(9) 0.9703(9) 0.9799(8) 0.0284(17) Uani 1 1 d . . .
C9 C 1.0102(9) 0.6991(9) 0.4562(7) 0.0263(16) Uani 1 1 d . . .
C10 C 1.0547(10) 0.6880(10) 0.3358(8) 0.0319(18) Uani 1 1 d . . .
H10 H 1.1543 0.7635 0.3255 0.038 Uiso 1 1 calc R . .
C11 C 0.9495(10) 0.5643(10) 0.2337(8) 0.0364(19) Uani 1 1 d . . .
H11 H 0.9790 0.5518 0.1524 0.044 Uiso 1 1 calc R . .
C12 C 0.7964(10) 0.4536(11) 0.2463(8) 0.041(2) Uani 1 1 d . . .
H12 H 0.7252 0.3703 0.1733 0.049 Uiso 1 1 calc R . .
C13 C 0.7514(10) 0.4670(10) 0.3642(8) 0.0378(19) Uani 1 1 d . . .
H13 H 0.6497 0.3945 0.3734 0.045 Uiso 1 1 calc R . .
C14 C 0.8602(9) 0.5904(9) 0.4693(8) 0.0310(17) Uani 1 1 d . . .
C15 C 0.5315(7) 0.8453(10) 0.7323(8) 0.0267(17) Uani 1 1 d . . .
C16 C 0.4999(9) 0.7877(10) 0.8475(8) 0.0302(17) Uani 1 1 d . . .
C17 C 0.4010(9) 0.7228(9) 1.0174(7) 0.0300(17) Uani 1 1 d . . .
C18 C 0.3174(11) 0.6923(11) 1.1139(9) 0.037(2) Uani 1 1 d . . .
H18 H 0.2447 0.7312 1.1274 0.044 Uiso 1 1 calc R . .
C19 C 0.3434(10) 0.6030(10) 1.1903(8) 0.0372(19) Uani 1 1 d . . .
H19 H 0.2883 0.5804 1.2584 0.045 Uiso 1 1 calc R . .
C20 C 0.4505(10) 0.5447(10) 1.1688(8) 0.0387(19) Uani 1 1 d . . .
H20 H 0.4669 0.4843 1.2235 0.046 Uiso 1 1 calc R . .
C21 C 0.5319(10) 0.5732(10) 1.0705(9) 0.0377(19) Uani 1 1 d . . .
H21 H 0.6034 0.5331 1.0563 0.045 Uiso 1 1 calc R . .
C22 C 0.5060(10) 0.6624(11) 0.9930(9) 0.029(2) Uani 1 1 d . . .
C23 C 0.6298(9) 0.8703(9) 0.5597(8) 0.0255(18) Uani 1 1 d . . .
C24 C 0.7047(9) 0.8672(9) 0.4559(8) 0.0321(17) Uani 1 1 d . . .
H24 H 0.7728 0.8212 0.4527 0.039 Uiso 1 1 calc R . .
C25 C 0.6772(11) 0.9321(11) 0.3589(10) 0.035(2) Uani 1 1 d . . .
H25 H 0.7261 0.9295 0.2869 0.042 Uiso 1 1 calc R . .
C26 C 0.5792(9) 1.0020(10) 0.3628(8) 0.0358(19) Uani 1 1 d . . .
H26 H 0.5652 1.0482 0.2944 0.043 Uiso 1 1 calc R . .
C27 C 0.5030(11) 1.0058(11) 0.4626(9) 0.034(2) Uani 1 1 d . . .
H27 H 0.4355 1.0524 0.4644 0.041 Uiso 1 1 calc R . .
C28 C 0.5287(9) 0.9383(9) 0.5614(8) 0.0282(16) Uani 1 1 d . . .
C29 C 0.5011(11) 0.3184(12) 0.7121(9) 0.0242(15) Uani 1 1 d . . .
C30 C 0.6347(9) 0.3097(9) 0.7822(8) 0.0259(16) Uani 1 1 d . . .
C31 C 0.7802(10) 0.2480(9) 0.9011(8) 0.0312(18) Uani 1 1 d . . .
C32 C 0.8455(12) 0.1897(11) 0.9884(9) 0.044(2) Uani 1 1 d . . .
H32 H 0.7838 0.1277 1.0401 0.053 Uiso 1 1 calc R . .
C33 C 1.0010(11) 0.2253(11) 0.9964(9) 0.049(2) Uani 1 1 d . . .
H33 H 1.0474 0.1882 1.0564 0.058 Uiso 1 1 calc R . .
C34 C 1.0959(10) 0.3143(11) 0.9200(9) 0.047(2) Uani 1 1 d . . .
H34 H 1.2027 0.3331 0.9271 0.056 Uiso 1 1 calc R . .
C35 C 1.0347(9) 0.3740(10) 0.8352(10) 0.041(2) Uani 1 1 d . . .
H35 H 1.0975 0.4359 0.7839 0.049 Uiso 1 1 calc R . .
C36 C 0.8783(9) 0.3407(9) 0.8272(8) 0.0311(17) Uani 1 1 d . . .
C37 C 0.3572(10) 0.3949(11) 0.6071(9) 0.0295(19) Uani 1 1 d . . .
C38 C 0.2966(10) 0.4776(10) 0.5422(9) 0.037(2) Uani 1 1 d . . .
H38 H 0.3639 0.5800 0.5348 0.045 Uiso 1 1 calc R . .
C39 C 0.1355(11) 0.4020(10) 0.4904(10) 0.046(2) Uani 1 1 d . . .
H39 H 0.0910 0.4529 0.4445 0.055 Uiso 1 1 calc R . .
C40 C 0.0364(9) 0.2550(10) 0.5030(10) 0.042(2) Uani 1 1 d . . .
H40 H -0.0749 0.2092 0.4690 0.050 Uiso 1 1 calc R . .
C41 C 0.0949(9) 0.1729(9) 0.5636(9) 0.0345(19) Uani 1 1 d . . .
H41 H 0.0270 0.0697 0.5688 0.041 Uiso 1 1 calc R . .
C42 C 0.2587(9) 0.2478(8) 0.6170(8) 0.0243(15) Uani 1 1 d . . .
N1 N 0.8457(7) 0.6260(8) 0.5970(6) 0.0275(14) Uani 1 1 d . . .
N2 N 1.0914(7) 0.8031(8) 0.5769(6) 0.0270(15) Uani 1 1 d . . .
N3 N 1.1774(7) 0.9304(7) 0.8505(6) 0.0253(13) Uani 1 1 d . . .
N4 N 0.9218(7) 0.7843(7) 0.8642(6) 0.0254(14) Uani 1 1 d . . .
N5 N 0.6304(7) 0.8130(7) 0.6698(7) 0.0285(14) Uani 1 1 d . . .
N6 N 0.4642(7) 0.9187(7) 0.6722(6) 0.0253(14) Uani 1 1 d . . .
N7 N 0.4007(8) 0.8026(9) 0.9224(7) 0.0304(17) Uani 1 1 d . . .
H7A H 0.3465 0.8534 0.9126 0.036 Uiso 1 1 calc R . .
N8 N 0.5696(7) 0.7102(7) 0.8878(7) 0.0293(14) Uani 1 1 d . . .
N9 N 0.5141(7) 0.4435(7) 0.6704(7) 0.0276(14) Uani 1 1 d . . .
N10 N 0.3513(7) 0.1963(7) 0.6822(6) 0.0287(14) Uani 1 1 d . . .
N11 N 0.6273(8) 0.2294(8) 0.8697(7) 0.0293(16) Uani 1 1 d . . .
N12 N 0.7820(7) 0.3799(7) 0.7535(6) 0.0271(14) Uani 1 1 d . . .
H12A H 0.8094 0.4389 0.6982 0.033 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N9 Zn1 N5 108.3(2) . .
N9 Zn1 N4 139.5(2) . .
N5 Zn1 N4 112.2(2) . .
N9 Zn1 N8 91.2(3) . .
N5 Zn1 N8 80.4(2) . .
N4 Zn1 N8 97.3(2) . .
N9 Zn1 N1 91.7(2) . .
N5 Zn1 N1 100.8(2) . .
N4 Zn1 N1 79.0(2) . .
N8 Zn1 N1 176.3(3) . .
N10 Zn2 N6 115.4(2) 1_665 1_655
N10 Zn2 N3 112.4(3) 1_665 .
N6 Zn2 N3 122.1(2) 1_655 .
N10 Zn2 N2 114.2(3) 1_665 .
N6 Zn2 N2 102.7(3) 1_655 .
N3 Zn2 N2 85.2(2) . .
N1 C1 N2 118.2(7) . .
N1 C1 C2 121.0(6) . .
N2 C1 C2 120.8(6) . .
N3 C2 N4 116.5(7) . .
N3 C2 C1 121.9(6) . .
N4 C2 C1 121.6(7) . .
C4 C3 N4 130.7(7) . .
C4 C3 C8 119.9(8) . .
N4 C3 C8 109.4(7) . .
C5 C4 C3 118.6(8) . .
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
C4 C5 C6 120.8(8) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C7 C6 C5 121.7(9) . .
C7 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
C6 C7 C8 117.2(8) . .
C6 C7 H7 121.4 . .
C8 C7 H7 121.4 . .
C7 C8 N3 131.1(7) . .
C7 C8 C3 121.9(7) . .
N3 C8 C3 107.1(7) . .
N2 C9 C10 131.4(7) . .
N2 C9 C14 107.8(6) . .
C10 C9 C14 120.8(7) . .
C11 C10 C9 117.7(8) . .
C11 C10 H10 121.2 . .
C9 C10 H10 121.2 . .
C10 C11 C12 121.7(8) . .
C10 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C13 C12 C11 120.4(8) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 117.9(8) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
N1 C14 C13 128.9(7) . .
N1 C14 C9 109.6(7) . .
C13 C14 C9 121.4(7) . .
N5 C15 N6 114.4(7) . .
N5 C15 C16 117.3(7) . .
N6 C15 C16 128.1(7) . .
N8 C16 N7 113.1(8) . .
N8 C16 C15 119.8(7) . .
N7 C16 C15 127.1(7) . .
C18 C17 N7 132.4(8) . .
C18 C17 C22 122.4(8) . .
N7 C17 C22 105.1(7) . .
C17 C18 C19 117.2(9) . .
C17 C18 H18 121.4 . .
C19 C18 H18 121.4 . .
C18 C19 C20 121.0(8) . .
C18 C19 H19 119.5 . .
C20 C19 H19 119.5 . .
C21 C20 C19 121.6(7) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C22 117.8(8) . .
C20 C21 H21 121.1 . .
C22 C21 H21 121.1 . .
C21 C22 N8 130.9(8) . .
C21 C22 C17 120.0(8) . .
N8 C22 C17 109.0(7) . .
N5 C23 C24 132.2(7) . .
N5 C23 C28 108.1(7) . .
C24 C23 C28 119.7(8) . .
C25 C24 C23 118.1(8) . .
C25 C24 H24 120.9 . .
C23 C24 H24 120.9 . .
C24 C25 C26 121.7(8) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C27 C26 C25 121.6(9) . .
C27 C26 H26 119.2 . .
C25 C26 H26 119.2 . .
C26 C27 C28 117.2(9) . .
C26 C27 H27 121.4 . .
C28 C27 H27 121.4 . .
C27 C28 N6 130.6(7) . .
C27 C28 C23 121.6(8) . .
N6 C28 C23 107.8(7) . .
N9 C29 N10 114.7(8) . .
N9 C29 C30 123.9(8) . .
N10 C29 C30 121.3(8) . .
N11 C30 N12 113.8(7) . .
N11 C30 C29 125.4(7) . .
N12 C30 C29 120.7(7) . .
N11 C31 C32 130.8(8) . .
N11 C31 C36 110.5(7) . .
C32 C31 C36 118.7(8) . .
C33 C32 C31 117.5(9) . .
C33 C32 H32 121.2 . .
C31 C32 H32 121.2 . .
C32 C33 C34 123.2(8) . .
C32 C33 H33 118.4 . .
C34 C33 H33 118.4 . .
C35 C34 C33 120.1(8) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 117.4(9) . .
C34 C35 H35 121.3 . .
C36 C35 H35 121.3 . .
N12 C36 C35 132.2(8) . .
N12 C36 C31 104.6(6) . .
C35 C36 C31 123.1(8) . .
C42 C37 N9 110.1(7) . .
C42 C37 C38 121.0(8) . .
N9 C37 C38 128.9(8) . .
C39 C38 C37 116.6(8) . .
C39 C38 H38 121.7 . .
C37 C38 H38 121.7 . .
C38 C39 C40 122.2(9) . .
C38 C39 H39 118.9 . .
C40 C39 H39 118.9 . .
C41 C40 C39 121.5(8) . .
C41 C40 H40 119.2 . .
C39 C40 H40 119.2 . .
C40 C41 C42 117.1(7) . .
C40 C41 H41 121.4 . .
C42 C41 H41 121.4 . .
C37 C42 N10 107.8(7) . .
C37 C42 C41 121.6(7) . .
N10 C42 C41 130.6(7) . .
C1 N1 C14 101.6(6) . .
C1 N1 Zn1 100.0(5) . .
C14 N1 Zn1 149.0(5) . .
C1 N2 C9 102.8(6) . .
C1 N2 Zn2 105.5(5) . .
C9 N2 Zn2 151.2(5) . .
C2 N3 C8 104.3(6) . .
C2 N3 Zn2 106.0(5) . .
C8 N3 Zn2 148.4(5) . .
C2 N4 C3 102.8(6) . .
C2 N4 Zn1 109.3(5) . .
C3 N4 Zn1 144.6(5) . .
C15 N5 C23 105.3(7) . .
C15 N5 Zn1 112.7(6) . .
C23 N5 Zn1 140.6(5) . .
C15 N6 C28 104.5(6) . .
C15 N6 Zn2 135.0(5) . 1_455
C28 N6 Zn2 120.5(5) . 1_455
C16 N7 C17 107.2(7) . .
C16 N7 H7A 126.4 . .
C17 N7 H7A 126.4 . .
C16 N8 C22 105.5(7) . .
C16 N8 Zn1 108.9(5) . .
C22 N8 Zn1 143.7(5) . .
C29 N9 C37 102.7(7) . .
C29 N9 Zn1 125.4(6) . .
C37 N9 Zn1 128.0(5) . .
C29 N10 C42 104.6(7) . .
C29 N10 Zn2 123.6(6) . 1_445
C42 N10 Zn2 131.0(5) . 1_445
C30 N11 C31 104.1(7) . .
C36 N12 C30 107.0(6) . .
C36 N12 H12A 126.5 . .
C30 N12 H12A 126.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N9 2.029(6) .
Zn1 N5 2.050(7) .
Zn1 N4 2.084(6) .
Zn1 N8 2.160(7) .
Zn1 N1 2.365(6) .
Zn2 N10 1.975(6) 1_665
Zn2 N6 2.000(6) 1_655
Zn2 N3 2.078(6) .
Zn2 N2 2.107(7) .
C1 N1 1.333(9) .
C1 N2 1.341(9) .
C1 C2 1.441(11) .
C2 N3 1.329(10) .
C2 N4 1.340(10) .
C3 C4 1.391(11) .
C3 N4 1.388(10) .
C3 C8 1.400(11) .
C4 C5 1.374(13) .
C4 H4 0.9500 .
C5 C6 1.399(13) .
C5 H5 0.9500 .
C6 C7 1.378(12) .
C6 H6 0.9500 .
C7 C8 1.386(11) .
C7 H7 0.9500 .
C8 N3 1.393(10) .
C9 N2 1.384(10) .
C9 C10 1.404(11) .
C9 C14 1.405(10) .
C10 C11 1.372(12) .
C10 H10 0.9500 .
C11 C12 1.430(12) .
C11 H11 0.9500 .
C12 C13 1.383(12) .
C12 H12 0.9500 .
C13 C14 1.396(12) .
C13 H13 0.9500 .
C14 N1 1.388(10) .
C15 N5 1.343(10) .
C15 N6 1.355(10) .
C15 C16 1.449(12) .
C16 N8 1.313(10) .
C16 N7 1.357(10) .
C17 C18 1.375(12) .
C17 N7 1.387(11) .
C17 C22 1.411(12) .
C18 C19 1.377(13) .
C18 H18 0.9500 .
C19 C20 1.411(13) .
C19 H19 0.9500 .
C20 C21 1.377(12) .
C20 H20 0.9500 .
C21 C22 1.384(12) .
C21 H21 0.9500 .
C22 N8 1.396(11) .
C23 N5 1.389(11) .
C23 C24 1.396(11) .
C23 C28 1.408(11) .
C24 C25 1.365(12) .
C24 H24 0.9500 .
C25 C26 1.397(12) .
C25 H25 0.9500 .
C26 C27 1.369(12) .
C26 H26 0.9500 .
C27 C28 1.394(13) .
C27 H27 0.9500 .
C28 N6 1.404(10) .
C29 N9 1.343(11) .
C29 N10 1.357(12) .
C29 C30 1.453(12) .
C30 N11 1.313(10) .
C30 N12 1.373(9) .
C31 N11 1.390(10) .
C31 C32 1.400(12) .
C31 C36 1.416(12) .
C32 C33 1.365(14) .
C32 H32 0.9500 .
C33 C34 1.407(14) .
C33 H33 0.9500 .
C34 C35 1.370(13) .
C34 H34 0.9500 .
C35 C36 1.378(11) .
C35 H35 0.9500 .
C36 N12 1.371(10) .
C37 C42 1.367(12) .
C37 N9 1.402(10) .
C37 C38 1.417(12) .
C38 C39 1.374(12) .
C38 H38 0.9500 .
C39 C40 1.377(13) .
C39 H39 0.9500 .
C40 C41 1.375(12) .
C40 H40 0.9500 .
C41 C42 1.399(11) .
C41 H41 0.9500 .
C42 N10 1.384(10) .
N6 Zn2 2.000(6) 1_455
N7 H7A 0.8800 .
N10 Zn2 1.975(6) 1_445
N12 H12A 0.8800 .
