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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/7/00/49/7004938.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_7004938
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 H34 Cu N6'
_chemical_formula_weight         518.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.376(3)
_cell_angle_beta                 102.728(3)
_cell_angle_gamma                94.852(4)
_cell_formula_units_Z            2
_cell_length_a                   10.078(2)
_cell_length_b                   11.205(2)
_cell_length_c                   12.676(3)
_cell_measurement_reflns_used    5456
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      56.674
_cell_measurement_theta_min      4.736
_cell_volume                     1278.6(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  'XSHELL in SHELXTL-97'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25529
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS2.0 (Sheldrick 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             546
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0524
_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)+(0.0526P)²+1.8690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                4523
_reflns_number_total             4690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613800d.txt
_cod_data_source_block           sp5ec
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004938
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.2411(4) 0.6135(4) 0.1837(3) 0.0391(8) Uani 1 1 d . . .
H1A H -0.1789 0.6957 0.2051 0.059 Uiso 1 1 calc R . .
H1B H -0.3367 0.6224 0.1549 0.059 Uiso 1 1 calc R . .
H1C H -0.2163 0.5438 0.1218 0.059 Uiso 1 1 calc R . .
C2 C -0.2279(3) 0.5811(3) 0.2881(3) 0.0288(7) Uani 1 1 d . . .
C3 C -0.3202(3) 0.4814(3) 0.2964(3) 0.0293(7) Uani 1 1 d . . .
C4 C -0.2742(3) 0.4853(3) 0.4062(3) 0.0288(7) Uani 1 1 d . . .
C5 C -0.1524(3) 0.5867(3) 0.4655(3) 0.0259(7) Uani 1 1 d . . .
C6 C -0.0735(3) 0.6250(3) 0.5784(3) 0.0268(7) Uani 1 1 d . . .
H6 H -0.0984 0.5773 0.6217 0.032 Uiso 1 1 calc R . .
C7 C 0.0405(3) 0.7274(3) 0.6376(3) 0.0254(6) Uani 1 1 d . . .
C8 C 0.1213(3) 0.7696(3) 0.7567(3) 0.0267(7) Uani 1 1 d . . .
C9 C 0.2204(3) 0.8730(3) 0.7758(3) 0.0265(7) Uani 1 1 d . . .
C10 C 0.1987(3) 0.8918(3) 0.6690(3) 0.0261(7) Uani 1 1 d . . .
C11 C 0.2760(3) 0.9869(3) 0.6471(3) 0.0268(7) Uani 1 1 d . . .
H11 H 0.3520 1.0434 0.7099 0.032 Uiso 1 1 calc R . .
C12 C 0.2526(3) 1.0057(3) 0.5453(3) 0.0267(7) Uani 1 1 d . . .
C13 C 0.3286(3) 1.1041(3) 0.5220(3) 0.0292(7) Uani 1 1 d . . .
C14 C 0.2629(3) 1.0918(3) 0.4120(3) 0.0279(7) Uani 1 1 d . . .
C15 C 0.1496(3) 0.9838(3) 0.3670(3) 0.0266(7) Uani 1 1 d . . .
C16 C 0.0504(3) 0.9373(4) 0.2494(3) 0.0339(8) Uani 1 1 d . . .
H16A H 0.0953 0.8908 0.1893 0.051 Uiso 1 1 calc R . .
H16B H 0.0194 1.0119 0.2350 0.051 Uiso 1 1 calc R . .
H16C H -0.0296 0.8784 0.2460 0.051 Uiso 1 1 calc R . .
C17 C -0.4401(4) 0.3914(4) 0.1995(3) 0.0367(8) Uani 1 1 d . . .
H17A H -0.4457 0.3040 0.2023 0.044 Uiso 1 1 calc R . .
H17B H -0.4237 0.3833 0.1232 0.044 Uiso 1 1 calc R . .
C18 C -0.5773(4) 0.4355(5) 0.2054(5) 0.0676(15) Uani 1 1 d . . .
H18A H -0.5943 0.4445 0.2809 0.101 Uiso 1 1 calc R . .
H18B H -0.6517 0.3709 0.1410 0.101 Uiso 1 1 calc R . .
H18C H -0.5747 0.5198 0.1981 0.101 Uiso 1 1 calc R . .
C19 C -0.3334(4) 0.4028(3) 0.4595(3) 0.0356(8) Uani 1 1 d . . .
H19A H -0.4162 0.4327 0.4805 0.053 Uiso 1 1 calc R . .
H19B H -0.2648 0.4093 0.5303 0.053 Uiso 1 1 calc R . .
H19C H -0.3581 0.3119 0.4028 0.053 Uiso 1 1 calc R . .
C20 C 0.0982(4) 0.7111(4) 0.8413(3) 0.0330(7) Uani 1 1 d . . .
H20A H 0.1879 0.7224 0.8981 0.040 Uiso 1 1 calc R . .
H20B H 0.0631 0.6164 0.7974 0.040 Uiso 1 1 calc R . .
C21 C -0.0031(5) 0.7707(5) 0.9088(4) 0.0550(12) Uani 1 1 d . . .
H21A H 0.0308 0.8646 0.9524 0.082 Uiso 1 1 calc R . .
H21B H -0.0118 0.7300 0.9640 0.082 Uiso 1 1 calc R . .
H21C H -0.0936 0.7561 0.8534 0.082 Uiso 1 1 calc R . .
C22 C 0.3283(3) 0.9556(3) 0.8877(3) 0.0319(7) Uani 1 1 d . . .
H22A H 0.4172 0.9704 0.8693 0.038 Uiso 1 1 calc R . .
H22B H 0.3412 0.9078 0.9402 0.038 Uiso 1 1 calc R . .
C23 C 0.2919(4) 1.0870(4) 0.9526(3) 0.0466(10) Uani 1 1 d . . .
H23A H 0.2785 1.1349 0.9011 0.070 Uiso 1 1 calc R . .
H23B H 0.3674 1.1374 1.0235 0.070 Uiso 1 1 calc R . .
H23C H 0.2066 1.0734 0.9750 0.070 Uiso 1 1 calc R . .
C24 C 0.4564(4) 1.1972(4) 0.6033(3) 0.0396(8) Uani 1 1 d . . .
H24A H 0.5375 1.1576 0.5903 0.059 Uiso 1 1 calc R . .
H24B H 0.4537 1.2183 0.6849 0.059 Uiso 1 1 calc R . .
H24C H 0.4620 1.2771 0.5884 0.059 Uiso 1 1 calc R . .
C25 C 0.3003(3) 1.1667(3) 0.3438(3) 0.0326(7) Uani 1 1 d . . .
H25A H 0.3537 1.2538 0.3992 0.039 Uiso 1 1 calc R . .
H25B H 0.2146 1.1793 0.2965 0.039 Uiso 1 1 calc R . .
C26 C 0.3846(5) 1.0988(4) 0.2634(4) 0.0516(11) Uani 1 1 d . . .
H26A H 0.4699 1.0869 0.3100 0.077 Uiso 1 1 calc R . .
H26B H 0.4076 1.1518 0.2209 0.077 Uiso 1 1 calc R . .
H26C H 0.3310 1.0136 0.2068 0.077 Uiso 1 1 calc R . .
C27 C 0.1442(4) 0.6495(4) 0.2038(3) 0.0410(9) Uani 1 1 d . . .
C28 C 0.2957(5) 0.6891(5) 0.1103(3) 0.0517(11) Uani 1 1 d . . .
Cu Cu 0.03753(4) 0.76679(4) 0.42051(3) 0.02436(14) Uani 1 1 d . . .
N1 N -0.1287(3) 0.6426(3) 0.3874(2) 0.0264(6) Uani 1 1 d . . .
N2 N 0.0891(3) 0.8029(3) 0.5861(2) 0.0246(5) Uani 1 1 d . . .
N3 N 0.1440(3) 0.9323(3) 0.4448(2) 0.0262(6) Uani 1 1 d . . .
N4 N 0.0963(3) 0.6663(3) 0.2791(3) 0.0435(8) Uani 1 1 d . . .
N5 N 0.1851(4) 0.6223(4) 0.1093(3) 0.0555(10) Uani 1 1 d . . .
N6 N 0.3941(5) 0.7439(5) 0.1004(4) 0.0763(13) 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'
Cu Cu 0.3201 1.2651 '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'
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 111.4(3) . . ?
N1 C2 C1 123.4(3) . . ?
C3 C2 C1 125.2(3) . . ?
C4 C3 C2 106.5(3) . . ?
C4 C3 C17 128.1(3) . . ?
C2 C3 C17 125.3(3) . . ?
C3 C4 C5 107.1(3) . . ?
C3 C4 C19 128.0(3) . . ?
C5 C4 C19 124.9(3) . . ?
C6 C5 N1 124.5(3) . . ?
C6 C5 C4 127.1(3) . . ?
N1 C5 C4 108.4(3) . . ?
C5 C6 C7 127.0(3) . . ?
N2 C7 C6 123.0(3) . . ?
N2 C7 C8 109.9(3) . . ?
C6 C7 C8 127.1(3) . . ?
C9 C8 C7 106.4(3) . . ?
C9 C8 C20 128.2(3) . . ?
C7 C8 C20 125.4(3) . . ?
C8 C9 C10 106.8(3) . . ?
C8 C9 C22 128.0(3) . . ?
C10 C9 C22 125.2(3) . . ?
N2 C10 C11 123.0(3) . . ?
N2 C10 C9 110.1(3) . . ?
C11 C10 C9 126.9(3) . . ?
C12 C11 C10 126.4(3) . . ?
C11 C12 N3 124.1(3) . . ?
C11 C12 C13 127.3(3) . . ?
N3 C12 C13 108.6(3) . . ?
C14 C13 C12 106.6(3) . . ?
C14 C13 C24 127.7(3) . . ?
C12 C13 C24 125.6(3) . . ?
C13 C14 C15 106.8(3) . . ?
C13 C14 C25 128.8(3) . . ?
C15 C14 C25 124.4(3) . . ?
N3 C15 C14 111.4(3) . . ?
N3 C15 C16 124.0(3) . . ?
C14 C15 C16 124.6(3) . . ?
C3 C17 C18 113.7(3) . . ?
C8 C20 C21 113.5(3) . . ?
C9 C22 C23 113.3(3) . . ?
C14 C25 C26 112.2(3) . . ?
N4 C27 N5 173.3(4) . . ?
N6 C28 N5 173.9(5) . . ?
N2 Cu N3 92.45(11) . . ?
N2 Cu N1 93.79(11) . . ?
N3 Cu N1 156.18(11) . . ?
N2 Cu N4 137.66(13) . . ?
N3 Cu N4 94.06(12) . . ?
N1 Cu N4 96.69(12) . . ?
C2 N1 C5 106.6(3) . . ?
C2 N1 Cu 129.7(2) . . ?
C5 N1 Cu 123.1(2) . . ?
C7 N2 C10 106.8(3) . . ?
C7 N2 Cu 125.7(2) . . ?
C10 N2 Cu 126.3(2) . . ?
C15 N3 C12 106.6(3) . . ?
C15 N3 Cu 128.5(2) . . ?
C12 N3 Cu 123.7(2) . . ?
C27 N4 Cu 157.5(3) . . ?
C28 N5 C27 120.4(4) . . ?
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 1.477(5) . ?
C2 N1 1.325(4) . ?
C2 C3 1.441(5) . ?
C3 C4 1.349(5) . ?
C3 C17 1.491(5) . ?
C4 C5 1.448(4) . ?
C4 C19 1.485(5) . ?
C5 C6 1.363(5) . ?
C5 N1 1.400(4) . ?
C6 C7 1.403(5) . ?
C7 N2 1.362(4) . ?
C7 C8 1.428(4) . ?
C8 C9 1.375(5) . ?
C8 C20 1.493(5) . ?
C9 C10 1.418(4) . ?
C9 C22 1.498(4) . ?
C10 N2 1.362(4) . ?
C10 C11 1.411(5) . ?
C11 C12 1.355(5) . ?
C12 N3 1.403(4) . ?
C12 C13 1.445(5) . ?
C13 C14 1.355(5) . ?
C13 C24 1.487(5) . ?
C14 C15 1.438(5) . ?
C14 C25 1.487(5) . ?
C15 N3 1.320(4) . ?
C15 C16 1.477(5) . ?
C17 C18 1.515(6) . ?
C20 C21 1.518(5) . ?
C22 C23 1.523(5) . ?
C25 C26 1.505(5) . ?
C27 N4 1.126(5) . ?
C27 N5 1.293(5) . ?
C28 N6 1.177(6) . ?
C28 N5 1.284(6) . ?
Cu N2 1.925(3) . ?
Cu N3 1.946(3) . ?
Cu N1 1.947(3) . ?
Cu N4 1.985(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
_geom_torsion_publ_flag
N1 C2 C3 C4 0.7(4) . . . . ?
C1 C2 C3 C4 -178.6(3) . . . . ?
N1 C2 C3 C17 -178.0(3) . . . . ?
C1 C2 C3 C17 2.7(5) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C17 C3 C4 C5 178.1(3) . . . . ?
C2 C3 C4 C19 179.8(3) . . . . ?
C17 C3 C4 C19 -1.5(6) . . . . ?
C3 C4 C5 C6 179.2(3) . . . . ?
C19 C4 C5 C6 -1.1(5) . . . . ?
C3 C4 C5 N1 0.3(3) . . . . ?
C19 C4 C5 N1 179.9(3) . . . . ?
N1 C5 C6 C7 2.1(5) . . . . ?
C4 C5 C6 C7 -176.7(3) . . . . ?
C5 C6 C7 N2 -1.0(5) . . . . ?
C5 C6 C7 C8 178.4(3) . . . . ?
N2 C7 C8 C9 0.0(3) . . . . ?
C6 C7 C8 C9 -179.5(3) . . . . ?
N2 C7 C8 C20 179.4(3) . . . . ?
C6 C7 C8 C20 -0.1(5) . . . . ?
C7 C8 C9 C10 -0.1(3) . . . . ?
C20 C8 C9 C10 -179.5(3) . . . . ?
C7 C8 C9 C22 177.6(3) . . . . ?
C20 C8 C9 C22 -1.8(5) . . . . ?
C8 C9 C10 N2 0.2(4) . . . . ?
C22 C9 C10 N2 -177.6(3) . . . . ?
C8 C9 C10 C11 -179.9(3) . . . . ?
C22 C9 C10 C11 2.3(5) . . . . ?
N2 C10 C11 C12 1.3(5) . . . . ?
C9 C10 C11 C12 -178.5(3) . . . . ?
C10 C11 C12 N3 0.9(5) . . . . ?
C10 C11 C12 C13 178.6(3) . . . . ?
C11 C12 C13 C14 -175.7(3) . . . . ?
N3 C12 C13 C14 2.2(4) . . . . ?
C11 C12 C13 C24 5.8(5) . . . . ?
N3 C12 C13 C24 -176.2(3) . . . . ?
C12 C13 C14 C15 -1.7(3) . . . . ?
C24 C13 C14 C15 176.8(3) . . . . ?
C12 C13 C14 C25 -178.2(3) . . . . ?
C24 C13 C14 C25 0.2(6) . . . . ?
C13 C14 C15 N3 0.6(4) . . . . ?
C25 C14 C15 N3 177.3(3) . . . . ?
C13 C14 C15 C16 179.6(3) . . . . ?
C25 C14 C15 C16 -3.6(5) . . . . ?
C4 C3 C17 C18 84.5(5) . . . . ?
C2 C3 C17 C18 -97.1(5) . . . . ?
C9 C8 C20 C21 91.3(4) . . . . ?
C7 C8 C20 C21 -88.0(4) . . . . ?
C8 C9 C22 C23 -101.5(4) . . . . ?
C10 C9 C22 C23 75.9(4) . . . . ?
C13 C14 C25 C26 94.8(4) . . . . ?
C15 C14 C25 C26 -81.3(4) . . . . ?
C3 C2 N1 C5 -0.6(4) . . . . ?
C1 C2 N1 C5 178.8(3) . . . . ?
C3 C2 N1 Cu 170.3(2) . . . . ?
C1 C2 N1 Cu -10.4(5) . . . . ?
C6 C5 N1 C2 -178.8(3) . . . . ?
C4 C5 N1 C2 0.2(3) . . . . ?
C6 C5 N1 Cu 9.6(4) . . . . ?
C4 C5 N1 Cu -171.4(2) . . . . ?
N2 Cu N1 C2 174.3(3) . . . . ?
N3 Cu N1 C2 69.5(4) . . . . ?
N4 Cu N1 C2 -46.8(3) . . . . ?
N2 Cu N1 C5 -16.1(2) . . . . ?
N3 Cu N1 C5 -121.0(3) . . . . ?
N4 Cu N1 C5 122.8(3) . . . . ?
C6 C7 N2 C10 179.7(3) . . . . ?
C8 C7 N2 C10 0.2(3) . . . . ?
C6 C7 N2 Cu -12.2(4) . . . . ?
C8 C7 N2 Cu 168.3(2) . . . . ?
C11 C10 N2 C7 179.9(3) . . . . ?
C9 C10 N2 C7 -0.2(3) . . . . ?
C11 C10 N2 Cu 11.9(4) . . . . ?
C9 C10 N2 Cu -168.3(2) . . . . ?
N3 Cu N2 C7 174.8(3) . . . . ?
N1 Cu N2 C7 17.8(3) . . . . ?
N4 Cu N2 C7 -86.5(3) . . . . ?
N3 Cu N2 C10 -19.4(3) . . . . ?
N1 Cu N2 C10 -176.4(3) . . . . ?
N4 Cu N2 C10 79.4(3) . . . . ?
C14 C15 N3 C12 0.8(3) . . . . ?
C16 C15 N3 C12 -178.3(3) . . . . ?
C14 C15 N3 Cu -166.6(2) . . . . ?
C16 C15 N3 Cu 14.3(5) . . . . ?
C11 C12 N3 C15 176.2(3) . . . . ?
C13 C12 N3 C15 -1.9(3) . . . . ?
C11 C12 N3 Cu -15.6(4) . . . . ?
C13 C12 N3 Cu 166.4(2) . . . . ?
N2 Cu N3 C15 -173.7(3) . . . . ?
N1 Cu N3 C15 -68.6(4) . . . . ?
N4 Cu N3 C15 48.1(3) . . . . ?
N2 Cu N3 C12 20.7(3) . . . . ?
N1 Cu N3 C12 125.8(3) . . . . ?
N4 Cu N3 C12 -117.4(3) . . . . ?
N5 C27 N4 Cu -123(4) . . . . ?
N2 Cu N4 C27 -109.6(9) . . . . ?
N3 Cu N4 C27 -11.4(9) . . . . ?
N1 Cu N4 C27 147.3(9) . . . . ?
N6 C28 N5 C27 -175(5) . . . . ?
N4 C27 N5 C28 162(4) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139151457
