#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:25:49 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/49/7004945.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_7004945
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            'C29 H38 N4 Se Zn'
_chemical_formula_weight         586.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.224(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3125(12)
_cell_length_b                   16.2290(11)
_cell_length_c                   16.0330(16)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      1.85
_cell_volume                     2779.4(5)
_computing_cell_refinement       'STOE Wincell (X-Area)'
_computing_data_collection       'STOE WinXpose (X-Area)'
_computing_data_reduction        'STOE WinIntegrate (X-Area)'
_computing_molecular_graphics    'Mercury 1.4.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'IPDS1 (STOE)'
_diffrn_measurement_method       phi-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  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21599
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    2.217
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.0 (Sheldrick 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.024
_refine_diff_density_max         0.812
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.848
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.848
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0302P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                3483
_reflns_number_total             5379
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613800d.txt
_cod_data_source_block           sp9ec
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7004945
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.7189(3) -0.0065(2) 1.0118(2) 0.0331(8) Uani 1 1 d . . .
H1A H 0.7026 0.0529 1.0089 0.050 Uiso 1 1 calc R . .
H1B H 0.7919 -0.0189 1.0635 0.050 Uiso 1 1 calc R . .
H1C H 0.6457 -0.0360 1.0164 0.050 Uiso 1 1 calc R . .
C2 C 0.7437(2) -0.03324(18) 0.93043(18) 0.0219(6) Uani 1 1 d . . .
C3 C 0.6892(2) -0.10279(17) 0.87549(18) 0.0221(7) Uani 1 1 d . . .
C4 C 0.7398(2) -0.10446(17) 0.80907(18) 0.0199(6) Uani 1 1 d . . .
C5 C 0.8249(2) -0.03536(17) 0.82322(17) 0.0189(6) Uani 1 1 d . . .
C6 C 0.8930(2) -0.01186(18) 0.77052(17) 0.0202(6) Uani 1 1 d . . .
H6A H 0.8832 -0.0456 0.7203 0.024 Uiso 1 1 calc R . .
C7 C 0.9758(2) 0.05552(18) 0.78050(16) 0.0190(6) Uani 1 1 d . . .
C8 C 1.0613(2) 0.07128(18) 0.73454(17) 0.0205(6) Uani 1 1 d . . .
C9 C 1.1317(2) 0.13898(18) 0.77455(17) 0.0206(6) Uani 1 1 d . . .
C10 C 1.0869(2) 0.16263(18) 0.84454(17) 0.0192(6) Uani 1 1 d . . .
C11 C 1.1379(2) 0.22278(18) 0.91098(18) 0.0218(6) Uani 1 1 d . . .
H11A H 1.1994 0.2580 0.9015 0.026 Uiso 1 1 calc R . .
C12 C 1.1108(2) 0.23700(18) 0.98645(17) 0.0186(6) Uani 1 1 d . . .
C13 C 1.1636(2) 0.30138(17) 1.05091(17) 0.0200(6) Uani 1 1 d . . .
C14 C 1.1027(2) 0.29746(18) 1.11144(18) 0.0206(6) Uani 1 1 d . . .
C15 C 1.0165(2) 0.22924(18) 1.08647(17) 0.0191(6) Uani 1 1 d . . .
C16 C 0.9311(3) 0.2006(2) 1.13341(19) 0.0268(7) Uani 1 1 d . . .
H16A H 0.9072 0.1433 1.1173 0.040 Uiso 1 1 calc R . .
H16B H 0.8560 0.2352 1.1167 0.040 Uiso 1 1 calc R . .
H16C H 0.9737 0.2044 1.1973 0.040 Uiso 1 1 calc R . .
C17 C 0.5914(3) -0.1588(2) 0.8896(2) 0.0292(7) Uani 1 1 d . . .
H17A H 0.6112 -0.1683 0.9538 0.035 Uiso 1 1 calc R . .
H17B H 0.5946 -0.2126 0.8615 0.035 Uiso 1 1 calc R . .
C18 C 0.4599(3) -0.1241(3) 0.8522(2) 0.0478(9) Uani 1 1 d . . .
H18A H 0.4010 -0.1610 0.8668 0.072 Uiso 1 1 calc R . .
H18B H 0.4367 -0.1193 0.7879 0.072 Uiso 1 1 calc R . .
H18C H 0.4570 -0.0695 0.8777 0.072 Uiso 1 1 calc R . .
C19 C 0.7133(3) -0.16322(18) 0.73270(18) 0.0241(7) Uani 1 1 d . . .
H19A H 0.6792 -0.2150 0.7481 0.029 Uiso 1 1 calc R . .
H19B H 0.7928 -0.1766 0.7225 0.029 Uiso 1 1 calc R . .
C20 C 0.6212(3) -0.1290(2) 0.64805(19) 0.0364(8) Uani 1 1 d . . .
H20A H 0.6088 -0.1692 0.6004 0.055 Uiso 1 1 calc R . .
H20B H 0.6543 -0.0777 0.6323 0.055 Uiso 1 1 calc R . .
H20C H 0.5409 -0.1180 0.6569 0.055 Uiso 1 1 calc R . .
C21 C 1.0758(3) 0.02019(19) 0.66020(18) 0.0264(7) Uani 1 1 d . . .
H21A H 1.1032 0.0563 0.6202 0.032 Uiso 1 1 calc R . .
H21B H 0.9934 -0.0033 0.6258 0.032 Uiso 1 1 calc R . .
C22 C 1.1692(3) -0.0492(2) 0.6920(2) 0.0445(9) Uani 1 1 d . . .
H22A H 1.1696 -0.0832 0.6416 0.067 Uiso 1 1 calc R . .
H22B H 1.1456 -0.0832 0.7345 0.067 Uiso 1 1 calc R . .
H22C H 1.2529 -0.0262 0.7205 0.067 Uiso 1 1 calc R . .
C23 C 1.2410(3) 0.1771(2) 0.75598(19) 0.0289(7) Uani 1 1 d . . .
H23A H 1.2364 0.2378 0.7609 0.035 Uiso 1 1 calc R . .
H23B H 1.2359 0.1640 0.6946 0.035 Uiso 1 1 calc R . .
C24 C 1.3665(3) 0.1469(2) 0.8192(2) 0.0370(9) Uani 1 1 d . . .
H24A H 1.4348 0.1714 0.8026 0.056 Uiso 1 1 calc R . .
H24B H 1.3706 0.0867 0.8158 0.056 Uiso 1 1 calc R . .
H24C H 1.3746 0.1632 0.8797 0.056 Uiso 1 1 calc R . .
C25 C 1.2624(3) 0.36113(18) 1.04784(19) 0.0264(7) Uani 1 1 d . . .
H25A H 1.3160 0.3350 1.0175 0.032 Uiso 1 1 calc R . .
H25B H 1.3158 0.3741 1.1090 0.032 Uiso 1 1 calc R . .
C26 C 1.2094(3) 0.4413(2) 1.0004(2) 0.0390(8) Uani 1 1 d . . .
H26A H 1.2778 0.4804 1.0066 0.058 Uiso 1 1 calc R . .
H26B H 1.1499 0.4650 1.0265 0.058 Uiso 1 1 calc R . .
H26C H 1.1664 0.4301 0.9376 0.058 Uiso 1 1 calc R . .
C27 C 1.1149(3) 0.35387(19) 1.18787(19) 0.0287(7) Uani 1 1 d . . .
H27A H 1.1971 0.3819 1.2048 0.034 Uiso 1 1 calc R . .
H27B H 1.1118 0.3209 1.2391 0.034 Uiso 1 1 calc R . .
C28 C 1.0114(4) 0.4183(2) 1.1659(2) 0.0406(9) Uani 1 1 d . . .
H28A H 1.0231 0.4542 1.2171 0.061 Uiso 1 1 calc R . .
H28B H 0.9299 0.3909 1.1508 0.061 Uiso 1 1 calc R . .
H28C H 1.0147 0.4514 1.1155 0.061 Uiso 1 1 calc R . .
C29 C 0.6842(3) 0.2383(2) 0.93507(19) 0.0259(7) Uani 1 1 d . . .
N1 N 0.8244(2) 0.00656(15) 0.90073(14) 0.0201(5) Uani 1 1 d . . .
N2 N 0.99042(19) 0.11282(15) 0.84585(14) 0.0191(5) Uani 1 1 d . . .
N3 N 1.0212(2) 0.19323(14) 1.01329(14) 0.0183(5) Uani 1 1 d . . .
N4 N 0.7430(2) 0.18768(16) 0.91750(15) 0.0261(6) Uani 1 1 d . . .
Zn Zn 0.89441(3) 0.12027(2) 0.92776(2) 0.01864(9) Uani 1 1 d . . .
Se Se 0.59522(4) 0.31811(3) 0.96273(3) 0.05788(14) 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'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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 111.6(2) . . ?
N1 C2 C1 121.6(3) . . ?
C3 C2 C1 126.8(3) . . ?
C4 C3 C2 106.7(2) . . ?
C4 C3 C17 128.6(3) . . ?
C2 C3 C17 124.7(3) . . ?
C3 C4 C5 106.9(2) . . ?
C3 C4 C19 128.7(3) . . ?
C5 C4 C19 124.4(3) . . ?
C6 C5 N1 124.9(3) . . ?
C6 C5 C4 126.8(2) . . ?
N1 C5 C4 108.4(2) . . ?
C5 C6 C7 129.1(3) . . ?
N2 C7 C6 121.4(2) . . ?
N2 C7 C8 110.1(2) . . ?
C6 C7 C8 128.3(2) . . ?
C9 C8 C7 106.8(2) . . ?
C9 C8 C21 127.5(3) . . ?
C7 C8 C21 125.6(3) . . ?
C8 C9 C10 106.2(2) . . ?
C8 C9 C23 128.5(3) . . ?
C10 C9 C23 125.1(3) . . ?
N2 C10 C11 121.7(2) . . ?
N2 C10 C9 110.2(2) . . ?
C11 C10 C9 127.8(2) . . ?
C12 C11 C10 128.9(3) . . ?
C11 C12 N3 125.3(2) . . ?
C11 C12 C13 126.4(3) . . ?
N3 C12 C13 108.2(2) . . ?
C14 C13 C12 106.7(2) . . ?
C14 C13 C25 127.8(3) . . ?
C12 C13 C25 125.5(2) . . ?
C13 C14 C15 107.0(2) . . ?
C13 C14 C27 128.4(3) . . ?
C15 C14 C27 124.6(3) . . ?
N3 C15 C14 111.3(2) . . ?
N3 C15 C16 122.3(3) . . ?
C14 C15 C16 126.4(2) . . ?
C3 C17 C18 113.0(3) . . ?
C4 C19 C20 113.0(2) . . ?
C8 C21 C22 112.9(2) . . ?
C9 C23 C24 112.5(3) . . ?
C13 C25 C26 113.2(2) . . ?
C14 C27 C28 111.9(3) . . ?
N4 C29 Se 178.9(3) . . ?
C2 N1 C5 106.4(2) . . ?
C2 N1 Zn 129.9(2) . . ?
C5 N1 Zn 121.14(18) . . ?
C10 N2 C7 106.7(2) . . ?
C10 N2 Zn 126.52(19) . . ?
C7 N2 Zn 126.80(19) . . ?
C15 N3 C12 106.8(2) . . ?
C15 N3 Zn 129.38(18) . . ?
C12 N3 Zn 120.63(17) . . ?
C29 N4 Zn 157.5(2) . . ?
N2 Zn N4 128.89(10) . . ?
N2 Zn N1 93.73(10) . . ?
N4 Zn N1 102.74(10) . . ?
N2 Zn N3 93.71(9) . . ?
N4 Zn N3 97.69(10) . . ?
N1 Zn N3 146.53(9) . . ?
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 1.486(4) . ?
C2 N1 1.328(3) . ?
C2 C3 1.440(4) . ?
C3 C4 1.365(4) . ?
C3 C17 1.505(4) . ?
C4 C5 1.446(4) . ?
C4 C19 1.502(4) . ?
C5 C6 1.372(4) . ?
C5 N1 1.418(3) . ?
C6 C7 1.414(4) . ?
C7 N2 1.370(3) . ?
C7 C8 1.420(4) . ?
C8 C9 1.384(4) . ?
C8 C21 1.504(4) . ?
C9 C10 1.428(4) . ?
C9 C23 1.498(4) . ?
C10 N2 1.363(3) . ?
C10 C11 1.420(4) . ?
C11 C12 1.362(4) . ?
C12 N3 1.415(3) . ?
C12 C13 1.453(4) . ?
C13 C14 1.364(4) . ?
C13 C25 1.492(4) . ?
C14 C15 1.442(4) . ?
C14 C27 1.499(4) . ?
C15 N3 1.327(3) . ?
C15 C16 1.481(4) . ?
C17 C18 1.518(4) . ?
C19 C20 1.518(4) . ?
C21 C22 1.514(4) . ?
C23 C24 1.528(4) . ?
C25 C26 1.527(4) . ?
C27 C28 1.522(4) . ?
C29 N4 1.149(4) . ?
C29 Se 1.784(3) . ?
N1 Zn 1.999(2) . ?
N2 Zn 1.964(2) . ?
N3 Zn 2.011(2) . ?
N4 Zn 1.993(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 -0.2(3) . . . . ?
C1 C2 C3 C4 -179.3(3) . . . . ?
N1 C2 C3 C17 -177.9(3) . . . . ?
C1 C2 C3 C17 3.0(5) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C17 C3 C4 C5 177.2(3) . . . . ?
C2 C3 C4 C19 -178.6(3) . . . . ?
C17 C3 C4 C19 -1.0(5) . . . . ?
C3 C4 C5 C6 -177.7(3) . . . . ?
C19 C4 C5 C6 0.6(4) . . . . ?
C3 C4 C5 N1 0.8(3) . . . . ?
C19 C4 C5 N1 179.1(2) . . . . ?
N1 C5 C6 C7 0.7(5) . . . . ?
C4 C5 C6 C7 179.0(3) . . . . ?
C5 C6 C7 N2 -5.5(4) . . . . ?
C5 C6 C7 C8 168.2(3) . . . . ?
N2 C7 C8 C9 1.3(3) . . . . ?
C6 C7 C8 C9 -172.9(3) . . . . ?
N2 C7 C8 C21 178.2(3) . . . . ?
C6 C7 C8 C21 3.9(5) . . . . ?
C7 C8 C9 C10 0.2(3) . . . . ?
C21 C8 C9 C10 -176.6(3) . . . . ?
C7 C8 C9 C23 175.1(3) . . . . ?
C21 C8 C9 C23 -1.7(5) . . . . ?
C8 C9 C10 N2 -1.7(3) . . . . ?
C23 C9 C10 N2 -176.8(3) . . . . ?
C8 C9 C10 C11 172.4(3) . . . . ?
C23 C9 C10 C11 -2.7(5) . . . . ?
N2 C10 C11 C12 5.7(5) . . . . ?
C9 C10 C11 C12 -167.7(3) . . . . ?
C10 C11 C12 N3 -1.1(5) . . . . ?
C10 C11 C12 C13 -178.0(3) . . . . ?
C11 C12 C13 C14 174.9(3) . . . . ?
N3 C12 C13 C14 -2.5(3) . . . . ?
C11 C12 C13 C25 -3.2(4) . . . . ?
N3 C12 C13 C25 179.4(2) . . . . ?
C12 C13 C14 C15 2.2(3) . . . . ?
C25 C13 C14 C15 -179.8(3) . . . . ?
C12 C13 C14 C27 -175.2(3) . . . . ?
C25 C13 C14 C27 2.9(5) . . . . ?
C13 C14 C15 N3 -1.2(3) . . . . ?
C27 C14 C15 N3 176.3(3) . . . . ?
C13 C14 C15 C16 179.2(3) . . . . ?
C27 C14 C15 C16 -3.3(4) . . . . ?
C4 C3 C17 C18 -95.1(4) . . . . ?
C2 C3 C17 C18 82.1(4) . . . . ?
C3 C4 C19 C20 98.4(4) . . . . ?
C5 C4 C19 C20 -79.5(3) . . . . ?
C9 C8 C21 C22 87.4(4) . . . . ?
C7 C8 C21 C22 -88.8(4) . . . . ?
C8 C9 C23 C24 -96.4(3) . . . . ?
C10 C9 C23 C24 77.6(4) . . . . ?
C14 C13 C25 C26 -85.6(4) . . . . ?
C12 C13 C25 C26 92.1(3) . . . . ?
C13 C14 C27 C28 98.0(4) . . . . ?
C15 C14 C27 C28 -78.9(4) . . . . ?
C3 C2 N1 C5 0.7(3) . . . . ?
C1 C2 N1 C5 179.8(3) . . . . ?
C3 C2 N1 Zn 162.35(19) . . . . ?
C1 C2 N1 Zn -18.5(4) . . . . ?
C6 C5 N1 C2 177.6(3) . . . . ?
C4 C5 N1 C2 -0.9(3) . . . . ?
C6 C5 N1 Zn 14.0(3) . . . . ?
C4 C5 N1 Zn -164.52(17) . . . . ?
C11 C10 N2 C7 -172.0(3) . . . . ?
C9 C10 N2 C7 2.5(3) . . . . ?
C11 C10 N2 Zn 6.5(4) . . . . ?
C9 C10 N2 Zn -179.01(18) . . . . ?
C6 C7 N2 C10 172.4(2) . . . . ?
C8 C7 N2 C10 -2.3(3) . . . . ?
C6 C7 N2 Zn -6.1(4) . . . . ?
C8 C7 N2 Zn 179.13(18) . . . . ?
C14 C15 N3 C12 -0.4(3) . . . . ?
C16 C15 N3 C12 179.2(3) . . . . ?
C14 C15 N3 Zn -159.87(18) . . . . ?
C16 C15 N3 Zn 19.8(4) . . . . ?
C11 C12 N3 C15 -175.6(3) . . . . ?
C13 C12 N3 C15 1.8(3) . . . . ?
C11 C12 N3 Zn -14.0(4) . . . . ?
C13 C12 N3 Zn 163.39(17) . . . . ?
Se C29 N4 Zn 41(15) . . . . ?
C10 N2 Zn N4 87.2(2) . . . . ?
C7 N2 Zn N4 -94.5(2) . . . . ?
C10 N2 Zn N1 -163.1(2) . . . . ?
C7 N2 Zn N1 15.1(2) . . . . ?
C10 N2 Zn N3 -15.8(2) . . . . ?
C7 N2 Zn N3 162.5(2) . . . . ?
C29 N4 Zn N2 -113.8(6) . . . . ?
C29 N4 Zn N1 140.6(7) . . . . ?
C29 N4 Zn N3 -12.7(7) . . . . ?
C2 N1 Zn N2 -177.5(2) . . . . ?
C5 N1 Zn N2 -18.1(2) . . . . ?
C2 N1 Zn N4 -46.2(3) . . . . ?
C5 N1 Zn N4 113.16(19) . . . . ?
C2 N1 Zn N3 80.1(3) . . . . ?
C5 N1 Zn N3 -120.6(2) . . . . ?
C15 N3 Zn N2 175.5(2) . . . . ?
C12 N3 Zn N2 18.5(2) . . . . ?
C15 N3 Zn N4 45.5(2) . . . . ?
C12 N3 Zn N4 -111.5(2) . . . . ?
C15 N3 Zn N1 -82.0(3) . . . . ?
C12 N3 Zn N1 121.0(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139151461
