#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/51/7025175.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_7025175
loop_
_publ_author_name
'Martínez Belmonte, Marta'
'Wezenberg, Sander J.'
'Haak, Robert M.'
'Anselmo, Daniele'
'Escudero-Adán, Eduardo C'
'Benet-Buchholz, Jordi'
'Kleij, Arjan W.'
_publ_section_title
;
 Self-assembly of Zn(salphen) complexes: steric regulation, stability
 studies and crystallographic analysis revealing an unexpected dimeric
 3,3'-t-Bu-substituted Zn(salphen) complex.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4541
_journal_page_last               4550
_journal_paper_doi               10.1039/b925560e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C60 H66 N6 O4 Zn2'
_chemical_formula_weight         1065.93
_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                114.879(2)
_cell_angle_beta                 97.484(3)
_cell_angle_gamma                105.221(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2145(13)
_cell_length_b                   12.2716(7)
_cell_length_c                   12.7552(8)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.01
_cell_measurement_theta_min      2.76
_cell_volume                     1345.6(2)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.909
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25611
_diffrn_reflns_theta_full        34.98
_diffrn_reflns_theta_max         34.98
_diffrn_reflns_theta_min         2.75
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.944
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.7860
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         10750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0407P)²+0.3841P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                9839
_reflns_number_total             10750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925560e.txt
_cod_data_source_block           awk539_01_p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025175
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
C1 C 0.64135(9) 0.09939(7) 0.84594(7) 0.01367(13) Uani 1 1 d .
C2 C 0.64156(9) 0.20616(7) 0.95319(7) 0.01513(14) Uani 1 1 d .
C3 C 0.58069(11) 0.30435(8) 0.94350(7) 0.01827(16) Uani 1 1 d .
C4 C 0.58590(16) 0.40621(11) 1.06763(9) 0.0332(3) Uani 1 1 d .
H4A H 0.5445 0.4663 1.0584 0.050 Uiso 1 1 calc R
H4B H 0.6842 0.4531 1.1166 0.050 Uiso 1 1 calc R
H4C H 0.5324 0.3644 1.1072 0.050 Uiso 1 1 calc R
C5 C 0.66815(13) 0.37187(10) 0.88450(10) 0.0270(2) Uani 1 1 d .
H5A H 0.6636 0.3082 0.8040 0.041 Uiso 1 1 calc R
H5B H 0.7665 0.4155 0.9336 0.041 Uiso 1 1 calc R
H5C H 0.6301 0.4350 0.8783 0.041 Uiso 1 1 calc R
C6 C 0.42449(12) 0.23915(10) 0.86942(10) 0.0262(2) Uani 1 1 d .
H6A H 0.3694 0.1973 0.9083 0.039 Uiso 1 1 calc R
H6B H 0.4166 0.1748 0.7882 0.039 Uiso 1 1 calc R
H6C H 0.3883 0.3039 0.8648 0.039 Uiso 1 1 calc R
C7 C 0.70091(10) 0.21950(8) 1.06397(7) 0.01583(14) Uani 1 1 d .
H7 H 0.6990 0.2897 1.1337 0.019 Uiso 1 1 calc R
C8 C 0.76409(9) 0.13629(8) 1.08087(7) 0.01402(13) Uani 1 1 d .
C9 C 0.82166(9) 0.16083(8) 1.20915(7) 0.01510(13) Uani 1 1 d .
C10 C 0.90683(10) 0.07499(9) 1.21141(8) 0.01978(16) Uani 1 1 d .
H10A H 0.9460 0.0962 1.2948 0.030 Uiso 1 1 calc R
H10B H 0.9839 0.0894 1.1748 0.030 Uiso 1 1 calc R
H10C H 0.8448 -0.0153 1.1661 0.030 Uiso 1 1 calc R
C11 C 0.69734(11) 0.13201(10) 1.26084(9) 0.02281(17) Uani 1 1 d .
H11A H 0.6448 0.1890 1.2634 0.034 Uiso 1 1 calc R
H11B H 0.7330 0.1461 1.3424 0.034 Uiso 1 1 calc R
H11C H 0.6347 0.0425 1.2098 0.034 Uiso 1 1 calc R
C12 C 0.91809(10) 0.30228(8) 1.29051(8) 0.01968(16) Uani 1 1 d .
H12A H 0.8637 0.3582 1.2945 0.030 Uiso 1 1 calc R
H12B H 0.9966 0.3229 1.2573 0.030 Uiso 1 1 calc R
H12C H 0.9552 0.3156 1.3715 0.030 Uiso 1 1 calc R
C13 C 0.76186(9) 0.03308(8) 0.97836(7) 0.01472(13) Uani 1 1 d .
H13 H 0.8018 -0.0258 0.9860 0.018 Uiso 1 1 calc R
C14 C 0.70141(9) 0.01201(7) 0.86121(7) 0.01392(13) Uani 1 1 d .
C15 C 0.69779(9) -0.10429(7) 0.76314(7) 0.01444(13) Uani 1 1 d .
H15 H 0.7357 -0.1583 0.7830 0.017 Uiso 1 1 calc R
C16 C 0.63934(9) -0.26415(7) 0.56167(7) 0.01425(13) Uani 1 1 d .
C17 C 0.73714(10) -0.32261(8) 0.57013(8) 0.01753(15) Uani 1 1 d .
H17 H 0.8173 -0.2796 0.6380 0.021 Uiso 1 1 calc R
C18 C 0.71741(11) -0.44415(9) 0.47903(8) 0.01969(16) Uani 1 1 d .
H18 H 0.7840 -0.4841 0.4850 0.024 Uiso 1 1 calc R
C19 C 0.60001(11) -0.50749(8) 0.37880(8) 0.02052(16) Uani 1 1 d .
H19 H 0.5862 -0.5911 0.3177 0.025 Uiso 1 1 calc R
C20 C 0.50328(11) -0.44890(8) 0.36792(8) 0.01893(15) Uani 1 1 d .
H20 H 0.4248 -0.4914 0.2987 0.023 Uiso 1 1 calc R
C21 C 0.52216(9) -0.32711(7) 0.45927(7) 0.01506(13) Uani 1 1 d .
C22 C 0.29826(10) -0.31651(8) 0.40504(8) 0.01726(15) Uani 1 1 d .
H22 H 0.2641 -0.4077 0.3668 0.021 Uiso 1 1 calc R
C23 C 0.87780(10) 0.07633(9) 0.57944(9) 0.02016(16) Uani 1 1 d .
H23 H 0.8559 -0.0123 0.5559 0.024 Uiso 1 1 calc R
C24 C 1.01685(10) 0.15878(10) 0.63270(10) 0.02464(18) Uani 1 1 d .
H24 H 1.0887 0.1258 0.6445 0.030 Uiso 1 1 calc R
C25 C 1.05284(11) 0.28998(11) 0.66932(10) 0.02608(19) Uani 1 1 d .
H25 H 1.1486 0.3458 0.7031 0.031 Uiso 1 1 calc R
C26 C 0.94629(10) 0.33667(9) 0.65542(9) 0.02299(18) Uani 1 1 d .
H26 H 0.9698 0.4261 0.6827 0.028 Uiso 1 1 calc R
C27 C 0.80320(9) 0.25513(8) 0.60176(8) 0.01661(14) Uani 1 1 d .
C28 C 0.76814(9) 0.12088(8) 0.55945(7) 0.01492(13) Uani 1 1 d .
N1 N 0.64721(8) -0.14258(6) 0.64922(6) 0.01423(12) Uani 1 1 d .
N2 N 0.43161(8) -0.25752(7) 0.45888(6) 0.01500(12) Uani 1 1 d .
O1 O 0.58622(7) 0.08572(6) 0.74139(5) 0.01658(11) Uani 1 1 d .
O2 O 0.63733(7) 0.03678(6) 0.50240(5) 0.01425(10) Uani 1 1 d .
Zn1 Zn 0.532628(10) -0.059270(8) 0.580420(8) 0.01255(3) Uani 1 1 d .
C1N C 0.12474(13) 0.29269(11) 0.04839(10) 0.0278(2) Uani 1 1 d .
N1N N 0.20370(14) 0.30378(13) 0.12674(12) 0.0422(3) Uani 1 1 d .
C2N C 0.02321(16) 0.27669(16) -0.05292(14) 0.0448(4) Uani 1 1 d .
H2N1 H -0.0073 0.1883 -0.1180 0.067 Uiso 1 1 calc R
H2N2 H 0.0672 0.3362 -0.0814 0.067 Uiso 1 1 calc R
H2N3 H -0.0587 0.2948 -0.0277 0.067 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
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
O1 C1 C14 123.33(7) . .
O1 C1 C2 119.37(7) . .
C14 C1 C2 117.29(7) . .
C7 C2 C1 118.67(7) . .
C7 C2 C3 121.26(7) . .
C1 C2 C3 120.05(7) . .
C4 C3 C2 111.35(7) . .
C4 C3 C5 108.51(9) . .
C2 C3 C5 108.98(8) . .
C4 C3 C6 106.73(9) . .
C2 C3 C6 111.16(7) . .
C5 C3 C6 110.06(8) . .
C2 C7 C8 124.84(8) . .
C13 C8 C7 116.48(7) . .
C13 C8 C9 124.40(7) . .
C7 C8 C9 119.01(7) . .
C11 C9 C8 108.86(7) . .
C11 C9 C10 108.72(8) . .
C8 C9 C10 111.60(7) . .
C11 C9 C12 108.49(8) . .
C8 C9 C12 110.73(7) . .
C10 C9 C12 108.37(7) . .
C8 C13 C14 122.00(7) . .
C13 C14 C1 120.69(7) . .
C13 C14 C15 115.66(7) . .
C1 C14 C15 123.54(7) . .
N1 C15 C14 125.91(7) . .
C17 C16 N1 124.86(7) . .
C17 C16 C21 119.83(7) . .
N1 C16 C21 115.31(7) . .
C16 C17 C18 119.95(8) . .
C17 C18 C19 120.21(8) . .
C20 C19 C18 120.40(8) . .
C19 C20 C21 119.66(8) . .
C20 C21 C16 119.91(8) . .
C20 C21 N2 125.09(7) . .
C16 C21 N2 114.99(7) . .
N2 C22 C27 125.35(8) . 2_656
C24 C23 C28 121.49(9) . .
C23 C24 C25 120.81(9) . .
C26 C25 C24 118.66(9) . .
C25 C26 C27 121.90(9) . .
C26 C27 C28 119.09(8) . .
C26 C27 C22 116.37(8) . 2_656
C28 C27 C22 124.53(8) . 2_656
O2 C28 C23 119.13(8) . .
O2 C28 C27 122.95(8) . .
C23 C28 C27 117.92(8) . .
C15 N1 C16 120.34(7) . .
C15 N1 Zn1 125.34(6) . .
C16 N1 Zn1 112.88(5) . .
C22 N2 C21 120.79(7) . .
C22 N2 Zn1 126.38(6) . .
C21 N2 Zn1 111.77(5) . .
C1 O1 Zn1 131.16(5) . .
C28 O2 Zn1 120.24(5) . .
C28 O2 Zn1 128.62(5) . 2_656
Zn1 O2 Zn1 97.45(3) . 2_656
O1 Zn1 O2 97.51(3) . .
O1 Zn1 O2 101.00(3) . 2_656
O2 Zn1 O2 82.55(3) . 2_656
O1 Zn1 N1 88.95(3) . .
O2 Zn1 N1 114.33(3) . .
O2 Zn1 N1 159.34(3) 2_656 .
O1 Zn1 N2 150.63(3) . .
O2 Zn1 N2 111.76(3) . .
O2 Zn1 N2 85.65(3) 2_656 .
N1 Zn1 N2 77.16(3) . .
O1 Zn1 Zn1 102.366(19) . 2_656
O2 Zn1 Zn1 41.575(18) . 2_656
O2 Zn1 Zn1 40.976(18) 2_656 2_656
N1 Zn1 Zn1 153.98(2) . 2_656
N2 Zn1 Zn1 101.21(2) . 2_656
N1N C1N C2N 179.24(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.3001(9) .
C1 C14 1.4333(11) .
C1 C2 1.4415(11) .
C2 C7 1.3861(11) .
C2 C3 1.5338(11) .
C3 C4 1.5330(13) .
C3 C5 1.5370(15) .
C3 C6 1.5425(14) .
C7 C8 1.4144(11) .
C8 C13 1.3777(11) .
C8 C9 1.5347(11) .
C9 C11 1.5333(14) .
C9 C10 1.5387(12) .
C9 C12 1.5429(12) .
C13 C14 1.4253(11) .
C14 C15 1.4357(11) .
C15 N1 1.3044(10) .
C16 C17 1.3920(12) .
C16 N1 1.4111(11) .
C16 C21 1.4120(11) .
C17 C18 1.3922(12) .
C18 C19 1.3971(13) .
C19 C20 1.3907(13) .
C20 C21 1.3977(12) .
C21 N2 1.4148(11) .
C22 N2 1.2928(11) .
C22 C27 1.4458(13) 2_656
C23 C24 1.3851(13) .
C23 C28 1.4082(12) .
C24 C25 1.3989(16) .
C25 C26 1.3809(15) .
C26 C27 1.4147(12) .
C27 C28 1.4231(12) .
C27 C22 1.4459(13) 2_656
C28 O2 1.3307(10) .
N1 Zn1 2.0738(7) .
N2 Zn1 2.1162(7) .
O1 Zn1 1.9501(6) .
O2 Zn1 2.0311(7) .
O2 Zn1 2.0555(6) 2_656
Zn1 O2 2.0555(6) 2_656
Zn1 Zn1 3.0714(2) 2_656
C1N N1N 1.1339(16) .
C1N C2N 1.4541(17) .
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_4
O1 C1 C2 C7 -179.91(8) . .
C14 C1 C2 C7 0.92(13) . .
O1 C1 C2 C3 -1.61(13) . .
C14 C1 C2 C3 179.21(8) . .
C7 C2 C3 C4 -4.12(14) . .
C1 C2 C3 C4 177.63(10) . .
C7 C2 C3 C5 115.55(10) . .
C1 C2 C3 C5 -62.71(11) . .
C7 C2 C3 C6 -122.99(10) . .
C1 C2 C3 C6 58.76(12) . .
C1 C2 C7 C8 0.84(14) . .
C3 C2 C7 C8 -177.44(9) . .
C2 C7 C8 C13 -1.84(14) . .
C2 C7 C8 C9 -178.19(9) . .
C13 C8 C9 C11 -106.97(10) . .
C7 C8 C9 C11 69.07(10) . .
C13 C8 C9 C10 13.02(12) . .
C7 C8 C9 C10 -170.94(8) . .
C13 C8 C9 C12 133.84(9) . .
C7 C8 C9 C12 -50.12(11) . .
C7 C8 C13 C14 1.06(13) . .
C9 C8 C13 C14 177.19(8) . .
C8 C13 C14 C1 0.63(13) . .
C8 C13 C14 C15 -175.74(8) . .
O1 C1 C14 C13 179.24(8) . .
C2 C1 C14 C13 -1.62(13) . .
O1 C1 C14 C15 -4.69(14) . .
C2 C1 C14 C15 174.45(8) . .
C13 C14 C15 N1 179.87(9) . .
C1 C14 C15 N1 3.62(15) . .
N1 C16 C17 C18 178.86(9) . .
C21 C16 C17 C18 -1.52(14) . .
C16 C17 C18 C19 0.28(15) . .
C17 C18 C19 C20 1.23(16) . .
C18 C19 C20 C21 -1.47(15) . .
C19 C20 C21 C16 0.23(14) . .
C19 C20 C21 N2 179.96(9) . .
C17 C16 C21 C20 1.26(13) . .
N1 C16 C21 C20 -179.07(8) . .
C17 C16 C21 N2 -178.49(8) . .
N1 C16 C21 N2 1.17(11) . .
C28 C23 C24 C25 0.46(17) . .
C23 C24 C25 C26 2.37(17) . .
C24 C25 C26 C27 -2.16(17) . .
C25 C26 C27 C28 -0.83(15) . .
C25 C26 C27 C22 178.72(10) . 2_656
C24 C23 C28 O2 176.57(9) . .
C24 C23 C28 C27 -3.42(14) . .
C26 C27 C28 O2 -176.43(9) . .
C22 C27 C28 O2 4.06(14) 2_656 .
C26 C27 C28 C23 3.57(13) . .
C22 C27 C28 C23 -175.95(9) 2_656 .
C14 C15 N1 C16 -174.78(8) . .
C14 C15 N1 Zn1 -9.47(13) . .
C17 C16 N1 C15 -34.86(13) . .
C21 C16 N1 C15 145.49(9) . .
C17 C16 N1 Zn1 158.11(7) . .
C21 C16 N1 Zn1 -21.53(10) . .
C27 C22 N2 C21 -179.45(8) 2_656 .
C27 C22 N2 Zn1 13.32(13) 2_656 .
C20 C21 N2 C22 30.46(14) . .
C16 C21 N2 C22 -149.80(9) . .
C20 C21 N2 Zn1 -160.59(8) . .
C16 C21 N2 Zn1 19.15(9) . .
C14 C1 O1 Zn1 12.99(13) . .
C2 C1 O1 Zn1 -166.14(7) . .
C23 C28 O2 Zn1 67.09(10) . .
C27 C28 O2 Zn1 -112.91(8) . .
C23 C28 O2 Zn1 -161.78(7) . 2_656
C27 C28 O2 Zn1 18.22(12) . 2_656
C1 O1 Zn1 O2 -128.44(8) . .
C1 O1 Zn1 O2 147.74(8) . 2_656
C1 O1 Zn1 N1 -14.03(8) . .
C1 O1 Zn1 N2 46.90(11) . .
C1 O1 Zn1 Zn1 -170.40(8) . 2_656
C28 O2 Zn1 O1 43.41(7) . .
Zn1 O2 Zn1 O1 -100.19(3) 2_656 .
C28 O2 Zn1 O2 143.60(7) . 2_656
Zn1 O2 Zn1 O2 0.0 2_656 2_656
C28 O2 Zn1 N1 -48.84(7) . .
Zn1 O2 Zn1 N1 167.56(2) 2_656 .
C28 O2 Zn1 N2 -134.13(6) . .
Zn1 O2 Zn1 N2 82.27(3) 2_656 .
C28 O2 Zn1 Zn1 143.59(7) . 2_656
C15 N1 Zn1 O1 11.79(8) . .
C16 N1 Zn1 O1 178.05(6) . .
C15 N1 Zn1 O2 109.56(8) . .
C16 N1 Zn1 O2 -84.18(6) . .
C15 N1 Zn1 O2 -107.70(9) . 2_656
C16 N1 Zn1 O2 58.56(11) . 2_656
C15 N1 Zn1 N2 -142.12(8) . .
C16 N1 Zn1 N2 24.14(6) . .
C15 N1 Zn1 Zn1 128.58(7) . 2_656
C16 N1 Zn1 Zn1 -65.16(8) . 2_656
C22 N2 Zn1 O1 81.20(9) . .
C21 N2 Zn1 O1 -87.00(8) . .
C22 N2 Zn1 O2 -103.78(8) . .
C21 N2 Zn1 O2 88.02(6) . .
C22 N2 Zn1 O2 -23.59(8) . 2_656
C21 N2 Zn1 O2 168.21(6) . 2_656
C22 N2 Zn1 N1 144.87(8) . .
C21 N2 Zn1 N1 -23.33(6) . .
C22 N2 Zn1 Zn1 -61.69(8) . 2_656
C21 N2 Zn1 Zn1 130.11(5) . 2_656
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1 PubChem 139161507
