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#$Date: 2025-08-21 13:25:49 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/49/7004944.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_7004944
loop_
_publ_author_name
'Bröring, Martin'
'Prikhodovski, Serguei'
'Brandt, Carsten D.'
'Tejero, Esther Cónsul'
'Köhler, Silke'
_publ_section_title
;
 Monomeric and polymeric copper and zinc tripyrrins.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              200
_journal_page_last               208
_journal_paper_doi               10.1039/b613800d
_journal_year                    2007
_chemical_formula_sum            'C28 H38 N6 Zn'
_chemical_formula_weight         524.01
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   15.5919(8)
_cell_length_b                   17.4451(9)
_cell_length_c                   19.8805(10)
_cell_measurement_reflns_used    8425
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.226
_cell_measurement_theta_min      2.430
_cell_volume                     5407.5(5)
_computing_cell_refinement       'SAINT-NT V6.0'
_computing_data_collection       'SMART-NT V5.6'
_computing_data_reduction        'SAINT-NT V6.0'
_computing_molecular_graphics    'Mercury 1.4.1'
_computing_publication_material  'WinGx-Version 1.70.00'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex with D8-Goniometer'
_diffrn_measurement_method       '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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0120
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            69567
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.935
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS2.0 (Sheldrick 2000)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0495P)²+3.4042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                5187
_reflns_number_total             5532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613800d.txt
_cod_data_source_block           cb26cb
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7004944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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 0.59427(14) 0.47103(12) 0.63884(10) 0.0353(4) Uani 1 1 d . . .
H1A H 0.5319 0.4656 0.6429 0.053 Uiso 1 1 calc R . .
H1B H 0.6104 0.5246 0.6466 0.053 Uiso 1 1 calc R . .
H1C H 0.6225 0.4383 0.6722 0.053 Uiso 1 1 calc R . .
C2 C 0.62155(12) 0.44759(10) 0.57016(9) 0.0277(4) Uani 1 1 d . . .
C3 C 0.70791(12) 0.45136(11) 0.54399(10) 0.0294(4) Uani 1 1 d . . .
C4 C 0.70420(12) 0.42675(10) 0.47908(10) 0.0279(4) Uani 1 1 d . . .
C5 C 0.61519(12) 0.40606(11) 0.46632(9) 0.0256(4) Uani 1 1 d . . .
C6 C 0.58394(12) 0.37462(10) 0.40828(10) 0.0261(4) Uani 1 1 d . . .
H6 H 0.6241 0.3688 0.3727 0.031 Uiso 1 1 calc R . .
C7 C 0.49874(11) 0.34941(10) 0.39419(9) 0.0247(4) Uani 1 1 d . . .
C8 C 0.46529(11) 0.32458(10) 0.33127(9) 0.0249(4) Uani 1 1 d . . .
C9 C 0.37854(11) 0.31077(10) 0.34172(9) 0.0246(4) Uani 1 1 d . . .
C10 C 0.36225(11) 0.32742(10) 0.41109(9) 0.0246(4) Uani 1 1 d . . .
C11 C 0.28237(11) 0.32557(10) 0.44545(9) 0.0250(4) Uani 1 1 d . . .
H11 H 0.2351 0.3060 0.4207 0.030 Uiso 1 1 calc R . .
C12 C 0.26512(12) 0.34864(11) 0.51023(9) 0.0268(4) Uani 1 1 d . . .
C13 C 0.18352(12) 0.34065(12) 0.54454(10) 0.0306(4) Uani 1 1 d . . .
C14 C 0.19626(14) 0.36334(11) 0.60964(11) 0.0340(4) Uani 1 1 d . . .
C15 C 0.28490(13) 0.38714(12) 0.61416(10) 0.0311(4) Uani 1 1 d . . .
C16 C 0.32936(14) 0.41698(14) 0.67516(10) 0.0405(5) Uani 1 1 d . . .
H16A H 0.3608 0.3752 0.6970 0.061 Uiso 1 1 calc R . .
H16B H 0.2869 0.4379 0.7065 0.061 Uiso 1 1 calc R . .
H16C H 0.3696 0.4575 0.6621 0.061 Uiso 1 1 calc R . .
C17 C 0.78525(14) 0.47541(13) 0.58366(11) 0.0398(5) Uani 1 1 d . . .
H17A H 0.7695 0.5187 0.6133 0.048 Uiso 1 1 calc R . .
H17B H 0.8301 0.4936 0.5523 0.048 Uiso 1 1 calc R . .
C18 C 0.82156(18) 0.41059(17) 0.62641(14) 0.0596(7) Uani 1 1 d . . .
H18A H 0.7771 0.3918 0.6571 0.089 Uiso 1 1 calc R . .
H18B H 0.8705 0.4296 0.6525 0.089 Uiso 1 1 calc R . .
H18C H 0.8404 0.3687 0.5971 0.089 Uiso 1 1 calc R . .
C19 C 0.77636(12) 0.41847(12) 0.42970(10) 0.0330(4) Uani 1 1 d . . .
H19A H 0.8235 0.4534 0.4429 0.040 Uiso 1 1 calc R . .
H19B H 0.7560 0.4345 0.3847 0.040 Uiso 1 1 calc R . .
C20 C 0.81143(14) 0.33674(14) 0.42505(13) 0.0437(5) Uani 1 1 d . . .
H20A H 0.8320 0.3204 0.4694 0.066 Uiso 1 1 calc R . .
H20B H 0.8590 0.3353 0.3928 0.066 Uiso 1 1 calc R . .
H20C H 0.7658 0.3021 0.4100 0.066 Uiso 1 1 calc R . .
C21 C 0.51425(12) 0.31751(12) 0.26669(9) 0.0315(4) Uani 1 1 d . . .
H21A H 0.4861 0.2784 0.2381 0.038 Uiso 1 1 calc R . .
H21B H 0.5729 0.2992 0.2769 0.038 Uiso 1 1 calc R . .
C22 C 0.52048(17) 0.39157(16) 0.22750(12) 0.0508(6) Uani 1 1 d . . .
H22A H 0.4627 0.4101 0.2170 0.076 Uiso 1 1 calc R . .
H22B H 0.5521 0.3826 0.1856 0.076 Uiso 1 1 calc R . .
H22C H 0.5507 0.4300 0.2545 0.076 Uiso 1 1 calc R . .
C23 C 0.31353(12) 0.28781(12) 0.28992(10) 0.0326(4) Uani 1 1 d . . .
H23A H 0.2724 0.2515 0.3105 0.039 Uiso 1 1 calc R . .
H23B H 0.3431 0.2608 0.2527 0.039 Uiso 1 1 calc R . .
C24 C 0.26413(16) 0.35561(15) 0.26123(13) 0.0499(6) Uani 1 1 d . . .
H24A H 0.2312 0.3803 0.2972 0.075 Uiso 1 1 calc R . .
H24B H 0.2249 0.3376 0.2261 0.075 Uiso 1 1 calc R . .
H24C H 0.3045 0.3926 0.2419 0.075 Uiso 1 1 calc R . .
C25 C 0.10208(13) 0.31172(13) 0.51386(11) 0.0374(5) Uani 1 1 d . . .
H25A H 0.0653 0.2905 0.5499 0.045 Uiso 1 1 calc R . .
H25B H 0.1160 0.2694 0.4825 0.045 Uiso 1 1 calc R . .
C26 C 0.05230(16) 0.37229(16) 0.47622(17) 0.0549(7) Uani 1 1 d . . .
H26A H 0.0368 0.4138 0.5071 0.082 Uiso 1 1 calc R . .
H26B H 0.0001 0.3496 0.4574 0.082 Uiso 1 1 calc R . .
H26C H 0.0877 0.3928 0.4397 0.082 Uiso 1 1 calc R . .
C27 C 0.13262(16) 0.36217(14) 0.66673(12) 0.0455(5) Uani 1 1 d . . .
H27A H 0.0908 0.3204 0.6589 0.055 Uiso 1 1 calc R . .
H27B H 0.1634 0.3507 0.7091 0.055 Uiso 1 1 calc R . .
C28 C 0.08485(18) 0.43633(17) 0.67479(14) 0.0590(7) Uani 1 1 d . . .
H28A H 0.1253 0.4772 0.6865 0.089 Uiso 1 1 calc R . .
H28B H 0.0422 0.4310 0.7107 0.089 Uiso 1 1 calc R . .
H28C H 0.0559 0.4491 0.6325 0.089 Uiso 1 1 calc R . .
N1 N 0.56676(10) 0.42099(9) 0.52485(8) 0.0259(3) Uani 1 1 d . . .
N2 N 0.43623(10) 0.34948(9) 0.44188(8) 0.0248(3) Uani 1 1 d . . .
N3 N 0.32542(10) 0.37901(9) 0.55606(8) 0.0264(3) Uani 1 1 d . . .
N4 N 0.48213(10) 0.29570(10) 0.61225(8) 0.0314(4) Uani 1 1 d . . .
N5 N 0.55513(10) 0.28761(9) 0.62948(8) 0.0290(4) Uani 1 1 d . . .
N6 N 0.62467(11) 0.27832(11) 0.64781(10) 0.0424(4) Uani 1 1 d . . .
Zn1 Zn 0.451751(13) 0.369397(12) 0.538546(10) 0.02430(9) 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'
N N 0.0061 0.0033 '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'
H H 0.0000 0.0000 '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
N1 C2 C3 111.83(17) . . ?
N1 C2 C1 122.41(18) . . ?
C3 C2 C1 125.76(17) . . ?
C4 C3 C2 106.70(17) . . ?
C4 C3 C17 128.35(19) . . ?
C2 C3 C17 124.91(18) . . ?
C3 C4 C5 106.48(17) . . ?
C3 C4 C19 128.23(18) . . ?
C5 C4 C19 125.24(17) . . ?
C6 C5 N1 125.39(17) . . ?
C6 C5 C4 125.87(17) . . ?
N1 C5 C4 108.70(16) . . ?
C5 C6 C7 128.38(17) . . ?
N2 C7 C8 110.52(16) . . ?
N2 C7 C6 122.01(17) . . ?
C8 C7 C6 127.42(16) . . ?
C9 C8 C7 106.16(16) . . ?
C9 C8 C21 127.56(17) . . ?
C7 C8 C21 126.25(16) . . ?
C8 C9 C10 106.35(16) . . ?
C8 C9 C23 127.00(17) . . ?
C10 C9 C23 126.55(16) . . ?
N2 C10 C11 122.20(16) . . ?
N2 C10 C9 109.88(16) . . ?
C11 C10 C9 127.87(17) . . ?
C12 C11 C10 127.94(17) . . ?
C11 C12 N3 125.69(17) . . ?
C11 C12 C13 125.71(18) . . ?
N3 C12 C13 108.46(16) . . ?
C14 C13 C12 106.85(18) . . ?
C14 C13 C25 127.34(18) . . ?
C12 C13 C25 125.80(18) . . ?
C13 C14 C15 106.30(17) . . ?
C13 C14 C27 127.8(2) . . ?
C15 C14 C27 125.9(2) . . ?
N3 C15 C14 111.79(18) . . ?
N3 C15 C16 121.68(18) . . ?
C14 C15 C16 126.53(18) . . ?
C3 C17 C18 112.60(18) . . ?
C4 C19 C20 113.42(16) . . ?
C8 C21 C22 113.82(17) . . ?
C9 C23 C24 113.07(17) . . ?
C13 C25 C26 113.72(18) . . ?
C28 C27 C14 113.3(2) . . ?
C2 N1 C5 106.27(15) . . ?
C2 N1 Zn1 129.42(13) . . ?
C5 N1 Zn1 120.18(12) . . ?
C7 N2 C10 107.07(15) . . ?
C7 N2 Zn1 126.37(13) . . ?
C10 N2 Zn1 126.39(12) . . ?
C15 N3 C12 106.57(16) . . ?
C15 N3 Zn1 128.93(13) . . ?
C12 N3 Zn1 120.67(12) . . ?
N5 N4 Zn1 120.61(13) . . ?
N6 N5 N4 177.8(2) . . ?
N2 Zn1 N4 128.99(7) . . ?
N2 Zn1 N3 93.64(6) . . ?
N4 Zn1 N3 99.13(6) . . ?
N2 Zn1 N1 93.21(6) . . ?
N4 Zn1 N1 100.02(6) . . ?
N3 Zn1 N1 148.79(6) . . ?
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
C1 C2 1.487(3) . ?
C2 N1 1.325(2) . ?
C2 C3 1.445(3) . ?
C3 C4 1.361(3) . ?
C3 C17 1.501(3) . ?
C4 C5 1.456(3) . ?
C4 C19 1.500(3) . ?
C5 C6 1.367(3) . ?
C5 N1 1.411(2) . ?
C6 C7 1.427(3) . ?
C7 N2 1.360(2) . ?
C7 C8 1.423(3) . ?
C8 C9 1.389(2) . ?
C8 C21 1.499(2) . ?
C9 C10 1.432(2) . ?
C9 C23 1.499(2) . ?
C10 N2 1.362(2) . ?
C10 C11 1.421(2) . ?
C11 C12 1.376(3) . ?
C12 N3 1.412(2) . ?
C12 C13 1.450(3) . ?
C13 C14 1.368(3) . ?
C13 C25 1.496(3) . ?
C14 C15 1.446(3) . ?
C14 C27 1.508(3) . ?
C15 N3 1.324(2) . ?
C15 C16 1.491(3) . ?
C17 C18 1.524(3) . ?
C19 C20 1.530(3) . ?
C21 C22 1.512(3) . ?
C23 C24 1.522(3) . ?
C25 C26 1.510(3) . ?
C27 C28 1.502(4) . ?
N1 Zn1 2.0248(16) . ?
N2 Zn1 1.9678(16) . ?
N3 Zn1 2.0073(16) . ?
N4 N5 1.197(2) . ?
N4 Zn1 2.0060(16) . ?
N5 N6 1.155(2) . ?
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
N1 C2 C3 C4 1.0(2) . . . . ?
C1 C2 C3 C4 -178.24(18) . . . . ?
N1 C2 C3 C17 -176.97(18) . . . . ?
C1 C2 C3 C17 3.8(3) . . . . ?
C2 C3 C4 C5 -1.4(2) . . . . ?
C17 C3 C4 C5 176.45(19) . . . . ?
C2 C3 C4 C19 -179.01(18) . . . . ?
C17 C3 C4 C19 -1.1(3) . . . . ?
C3 C4 C5 C6 -176.27(18) . . . . ?
C19 C4 C5 C6 1.4(3) . . . . ?
C3 C4 C5 N1 1.4(2) . . . . ?
C19 C4 C5 N1 179.12(17) . . . . ?
N1 C5 C6 C7 -1.1(3) . . . . ?
C4 C5 C6 C7 176.27(18) . . . . ?
C5 C6 C7 N2 -4.6(3) . . . . ?
C5 C6 C7 C8 172.59(19) . . . . ?
N2 C7 C8 C9 1.3(2) . . . . ?
C6 C7 C8 C9 -176.19(17) . . . . ?
N2 C7 C8 C21 179.49(17) . . . . ?
C6 C7 C8 C21 2.0(3) . . . . ?
C7 C8 C9 C10 -0.3(2) . . . . ?
C21 C8 C9 C10 -178.48(18) . . . . ?
C7 C8 C9 C23 176.23(18) . . . . ?
C21 C8 C9 C23 -2.0(3) . . . . ?
C8 C9 C10 N2 -0.8(2) . . . . ?
C23 C9 C10 N2 -177.30(17) . . . . ?
C8 C9 C10 C11 176.78(18) . . . . ?
C23 C9 C10 C11 0.3(3) . . . . ?
N2 C10 C11 C12 4.2(3) . . . . ?
C9 C10 C11 C12 -173.07(19) . . . . ?
C10 C11 C12 N3 -0.3(3) . . . . ?
C10 C11 C12 C13 -175.48(18) . . . . ?
C11 C12 C13 C14 173.90(19) . . . . ?
N3 C12 C13 C14 -2.0(2) . . . . ?
C11 C12 C13 C25 -5.2(3) . . . . ?
N3 C12 C13 C25 178.96(18) . . . . ?
C12 C13 C14 C15 1.6(2) . . . . ?
C25 C13 C14 C15 -179.3(2) . . . . ?
C12 C13 C14 C27 -176.7(2) . . . . ?
C25 C13 C14 C27 2.3(4) . . . . ?
C13 C14 C15 N3 -0.8(2) . . . . ?
C27 C14 C15 N3 177.61(19) . . . . ?
C13 C14 C15 C16 179.7(2) . . . . ?
C27 C14 C15 C16 -1.9(3) . . . . ?
C4 C3 C17 C18 -95.7(3) . . . . ?
C2 C3 C17 C18 81.8(3) . . . . ?
C3 C4 C19 C20 97.2(2) . . . . ?
C5 C4 C19 C20 -80.0(2) . . . . ?
C9 C8 C21 C22 93.3(2) . . . . ?
C7 C8 C21 C22 -84.6(2) . . . . ?
C8 C9 C23 C24 -95.2(2) . . . . ?
C10 C9 C23 C24 80.7(2) . . . . ?
C14 C13 C25 C26 97.7(3) . . . . ?
C12 C13 C25 C26 -83.4(3) . . . . ?
C13 C14 C27 C28 -92.9(3) . . . . ?
C15 C14 C27 C28 89.1(3) . . . . ?
C3 C2 N1 C5 -0.1(2) . . . . ?
C1 C2 N1 C5 179.18(17) . . . . ?
C3 C2 N1 Zn1 156.53(13) . . . . ?
C1 C2 N1 Zn1 -24.2(3) . . . . ?
C6 C5 N1 C2 176.89(17) . . . . ?
C4 C5 N1 C2 -0.8(2) . . . . ?
C6 C5 N1 Zn1 17.7(2) . . . . ?
C4 C5 N1 Zn1 -160.03(12) . . . . ?
C8 C7 N2 C10 -1.7(2) . . . . ?
C6 C7 N2 C10 175.87(16) . . . . ?
C8 C7 N2 Zn1 173.67(12) . . . . ?
C6 C7 N2 Zn1 -8.7(2) . . . . ?
C11 C10 N2 C7 -176.18(17) . . . . ?
C9 C10 N2 C7 1.5(2) . . . . ?
C11 C10 N2 Zn1 8.4(3) . . . . ?
C9 C10 N2 Zn1 -173.86(12) . . . . ?
C14 C15 N3 C12 -0.5(2) . . . . ?
C16 C15 N3 C12 179.06(18) . . . . ?
C14 C15 N3 Zn1 -158.06(14) . . . . ?
C16 C15 N3 Zn1 21.5(3) . . . . ?
C11 C12 N3 C15 -174.39(18) . . . . ?
C13 C12 N3 C15 1.5(2) . . . . ?
C11 C12 N3 Zn1 -14.6(3) . . . . ?
C13 C12 N3 Zn1 161.31(12) . . . . ?
Zn1 N4 N5 N6 173(100) . . . . ?
C7 N2 Zn1 N4 -86.92(17) . . . . ?
C10 N2 Zn1 N4 87.62(16) . . . . ?
C7 N2 Zn1 N3 168.25(15) . . . . ?
C10 N2 Zn1 N3 -17.20(16) . . . . ?
C7 N2 Zn1 N1 18.72(16) . . . . ?
C10 N2 Zn1 N1 -166.73(15) . . . . ?
N5 N4 Zn1 N2 94.74(17) . . . . ?
N5 N4 Zn1 N3 -162.98(16) . . . . ?
N5 N4 Zn1 N1 -7.75(17) . . . . ?
C15 N3 Zn1 N2 174.12(17) . . . . ?
C12 N3 Zn1 N2 19.25(14) . . . . ?
C15 N3 Zn1 N4 43.67(18) . . . . ?
C12 N3 Zn1 N4 -111.19(14) . . . . ?
C15 N3 Zn1 N1 -83.6(2) . . . . ?
C12 N3 Zn1 N1 121.56(15) . . . . ?
C2 N1 Zn1 N2 -175.86(16) . . . . ?
C5 N1 Zn1 N2 -22.04(14) . . . . ?
C2 N1 Zn1 N4 -45.33(17) . . . . ?
C5 N1 Zn1 N4 108.49(14) . . . . ?
C2 N1 Zn1 N3 81.7(2) . . . . ?
C5 N1 Zn1 N3 -124.46(15) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168347246
