#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:25:49 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/65/7006559.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_7006559
loop_
_publ_author_name
'Sen, Soma'
'Talukder, Pritha'
'Dey, Subrata K.'
'Mitra, Samiran'
'Rosair, Georgina'
'Hughes, David L.'
'Yap, Glenn P. A.'
'Pilet, Guillaume'
'Gramlich, V.'
'Matsushita, T.'
_publ_section_title
;
 Ligating properties of a potentially tetradentate Schiff base
 [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II),
 cobalt(II), cobalt(III) and manganese(III) ions: synthesis and
 structural studies.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1758
_journal_page_last               1767
_journal_paper_doi               10.1039/b512053e
_journal_year                    2006
_chemical_formula_moiety         'C25 H36 N5 O4 S1 ZN1, C17 H20 N5 O4 S3 Zn2'
_chemical_formula_structural     '[Zn(LH)2(NCS)][Zn2(L)(MeCOO)(NCS)3]'
_chemical_formula_sum            'C42 H56 N10 O8 S4 Zn3'
_chemical_formula_weight         1153.32
_chemical_name_common            'Compound 1'
_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                101.851(2)
_cell_angle_beta                 94.654(3)
_cell_angle_gamma                104.704(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5391(16)
_cell_length_b                   14.630(2)
_cell_length_c                   17.946(3)
_cell_measurement_reflns_used    1001
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.12
_cell_measurement_theta_min      2.92
_cell_volume                     2593.3(7)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0279
_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       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26646
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.595
_exptl_absorpt_correction_T_max  0.8568
_exptl_absorpt_correction_T_min  0.7622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         11584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0379
_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)+(0.0600P)²+1.5665P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                10690
_reflns_number_total             11584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512053e.txt
_cod_data_source_block           samm003
_cod_depositor_comments
;
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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2593.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006559
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
Zn1 Zn 0.42433(2) 0.190133(18) 0.411941(15) 0.01789(7) Uani 1 1 d . . .
Zn2 Zn 0.18098(3) 0.556626(19) 0.172950(15) 0.02060(7) Uani 1 1 d . . .
Zn3 Zn 0.32951(3) 0.723687(19) 0.072387(15) 0.02018(7) Uani 1 1 d . . .
N1 N 0.49168(18) 0.06823(14) 0.36766(11) 0.0200(4) Uani 1 1 d . . .
N2 N 0.4336(2) 0.09070(14) 0.20610(11) 0.0207(4) Uani 1 1 d . . .
H1 H 0.377(3) 0.099(2) 0.2338(17) 0.025 Uiso 1 1 d . . .
N3 N 0.3413(2) 0.30290(14) 0.45580(12) 0.0244(4) Uani 1 1 d . . .
N4 N 0.3699(2) 0.27374(15) 0.61479(12) 0.0246(4) Uani 1 1 d . . .
H2 H 0.343(3) 0.219(2) 0.5797(18) 0.030 Uiso 1 1 d . . .
N5 N 0.6045(2) 0.28570(15) 0.42159(13) 0.0277(4) Uani 1 1 d . . .
N6 N 0.0327(2) 0.44300(16) 0.10332(13) 0.0265(4) Uani 1 1 d . . .
N7 N 0.0567(2) 0.51765(16) 0.26114(12) 0.0273(4) Uani 1 1 d . . .
N8 N 0.3101(2) 0.79311(16) -0.00932(12) 0.0280(4) Uani 1 1 d . . .
N9 N 0.5007(2) 0.78261(15) 0.13761(13) 0.0278(4) Uani 1 1 d . . .
N10 N 0.3326(2) 0.50828(15) 0.20481(12) 0.0259(4) Uani 1 1 d . . .
O1 O 0.35713(16) 0.12605(11) 0.49577(9) 0.0211(3) Uani 1 1 d . . .
O2 O 0.17340(17) 0.06746(13) 0.57975(10) 0.0293(4) Uani 1 1 d . . .
O3 O 0.29742(16) 0.15442(12) 0.31581(9) 0.0231(3) Uani 1 1 d . . .
O4 O 0.13819(17) 0.05850(14) 0.18865(10) 0.0308(4) Uani 1 1 d . . .
O5 O 0.23318(16) 0.58773(11) 0.06951(9) 0.0214(3) Uani 1 1 d . . .
O6 O 0.42892(17) 0.62571(12) -0.00769(10) 0.0259(4) Uani 1 1 d . . .
O7 O 0.19837(17) 0.77810(12) 0.13198(10) 0.0269(4) Uani 1 1 d . . .
O8 O 0.20510(18) 0.69607(12) 0.22397(10) 0.0262(4) Uani 1 1 d . . .
S1 S 0.83200(6) 0.44156(5) 0.44788(4) 0.03284(15) Uani 1 1 d . . .
S2 S 0.49700(10) 0.42096(6) 0.27744(4) 0.0485(2) Uani 1 1 d . . .
S3 S 0.76093(7) 0.88988(5) 0.19474(4) 0.03368(15) Uani 1 1 d . . .
S5 S 0.29464(7) 0.96064(5) -0.05612(4) 0.03084(14) Uani 1 1 d . . .
C1 C 0.3097(2) 0.03153(16) 0.48733(12) 0.0178(4) Uani 1 1 d . . .
C2 C 0.2120(2) -0.00382(17) 0.53235(13) 0.0221(5) Uani 1 1 d . . .
C3 C 0.1602(2) -0.10213(19) 0.52656(15) 0.0281(5) Uani 1 1 d . . .
H3A H 0.0941 -0.1237 0.5569 0.034 Uiso 1 1 calc R . .
C4 C 0.2044(3) -0.16976(18) 0.47653(17) 0.0323(6) Uani 1 1 d . . .
H4A H 0.1698 -0.2373 0.4734 0.039 Uiso 1 1 calc R . .
C5 C 0.2980(3) -0.13831(18) 0.43193(16) 0.0294(5) Uani 1 1 d . . .
H5A H 0.3281 -0.1846 0.3979 0.035 Uiso 1 1 calc R . .
C6 C 0.3508(2) -0.03828(16) 0.43553(14) 0.0215(4) Uani 1 1 d . . .
C7 C 0.4470(2) -0.01383(17) 0.38391(14) 0.0240(5) Uani 1 1 d . . .
H7A H 0.4806 -0.0650 0.3595 0.029 Uiso 1 1 calc R . .
C8 C 0.0609(3) 0.0347(2) 0.61755(17) 0.0366(6) Uani 1 1 d . . .
H8A H 0.0365 0.0911 0.6459 0.055 Uiso 1 1 calc R . .
H8B H 0.0835 -0.0028 0.6535 0.055 Uiso 1 1 calc R . .
H8C H -0.0139 -0.0064 0.5791 0.055 Uiso 1 1 calc R . .
C9 C 0.5915(2) 0.0742(2) 0.31447(14) 0.0265(5) Uani 1 1 d . . .
H9A H 0.5914 0.0076 0.2885 0.032 Uiso 1 1 calc R . .
H9B H 0.6803 0.1071 0.3444 0.032 Uiso 1 1 calc R . .
C10 C 0.5660(2) 0.12980(19) 0.25300(15) 0.0276(5) Uani 1 1 d . . .
H10A H 0.5770 0.1985 0.2790 0.033 Uiso 1 1 calc R . .
H10B H 0.6341 0.1288 0.2182 0.033 Uiso 1 1 calc R . .
C11 C 0.4221(3) 0.15021(19) 0.14862(15) 0.0297(5) Uani 1 1 d . . .
H11A H 0.3350 0.1237 0.1169 0.044 Uiso 1 1 calc R . .
H11B H 0.4915 0.1483 0.1157 0.044 Uiso 1 1 calc R . .
H11C H 0.4321 0.2176 0.1756 0.044 Uiso 1 1 calc R . .
C12 C 0.4029(3) -0.01362(18) 0.16741(16) 0.0307(5) Uani 1 1 d . . .
H12A H 0.4067 -0.0517 0.2061 0.046 Uiso 1 1 calc R . .
H12B H 0.4679 -0.0231 0.1326 0.046 Uiso 1 1 calc R . .
H12C H 0.3139 -0.0351 0.1379 0.046 Uiso 1 1 calc R . .
C13 C 0.1817(2) 0.17275(17) 0.30736(14) 0.0223(5) Uani 1 1 d . . .
C14 C 0.0908(2) 0.12169(18) 0.23932(14) 0.0249(5) Uani 1 1 d . . .
C15 C -0.0329(2) 0.13602(19) 0.22728(17) 0.0315(6) Uani 1 1 d . . .
H15A H -0.0919 0.1008 0.1817 0.038 Uiso 1 1 calc R . .
C16 C -0.0713(3) 0.2029(2) 0.28267(19) 0.0362(6) Uani 1 1 d . . .
H16A H -0.1572 0.2118 0.2750 0.043 Uiso 1 1 calc R . .
C17 C 0.0139(3) 0.25500(19) 0.34716(17) 0.0306(6) Uani 1 1 d . . .
H17A H -0.0125 0.3010 0.3837 0.037 Uiso 1 1 calc R . .
C18 C 0.1414(2) 0.24158(18) 0.36061(15) 0.0244(5) Uani 1 1 d . . .
C19 C 0.2273(3) 0.30679(18) 0.42775(15) 0.0273(5) Uani 1 1 d . . .
H19A H 0.1959 0.3582 0.4540 0.033 Uiso 1 1 calc R . .
C20 C 0.0595(3) 0.0158(3) 0.11436(17) 0.0427(7) Uani 1 1 d . . .
H20A H 0.1034 -0.0265 0.0829 0.064 Uiso 1 1 calc R . .
H20B H 0.0498 0.0674 0.0890 0.064 Uiso 1 1 calc R . .
H20C H -0.0281 -0.0225 0.1206 0.064 Uiso 1 1 calc R . .
C21 C 0.4143(3) 0.38238(17) 0.52116(15) 0.0294(5) Uani 1 1 d . . .
H21A H 0.3541 0.4207 0.5411 0.035 Uiso 1 1 calc R . .
H21B H 0.4876 0.4261 0.5034 0.035 Uiso 1 1 calc R . .
C22 C 0.4707(3) 0.34486(17) 0.58538(14) 0.0259(5) Uani 1 1 d . . .
H22A H 0.5386 0.3134 0.5666 0.031 Uiso 1 1 calc R . .
H22B H 0.5155 0.4009 0.6286 0.031 Uiso 1 1 calc R . .
C23 C 0.4333(3) 0.2529(2) 0.68419(15) 0.0319(6) Uani 1 1 d . . .
H23A H 0.3733 0.1975 0.6976 0.048 Uiso 1 1 calc R . .
H23B H 0.4523 0.3100 0.7272 0.048 Uiso 1 1 calc R . .
H23C H 0.5162 0.2374 0.6734 0.048 Uiso 1 1 calc R . .
C24 C 0.2518(3) 0.3075(2) 0.63312(17) 0.0358(6) Uani 1 1 d . . .
H24A H 0.1963 0.2629 0.6592 0.054 Uiso 1 1 calc R . .
H24B H 0.2006 0.3088 0.5854 0.054 Uiso 1 1 calc R . .
H24C H 0.2805 0.3729 0.6668 0.054 Uiso 1 1 calc R . .
C25 C 0.6985(2) 0.35091(17) 0.43197(13) 0.0212(4) Uani 1 1 d . . .
C26 C 0.2408(2) 0.51635(16) 0.01176(13) 0.0209(4) Uani 1 1 d . . .
C27 C 0.1481(2) 0.42375(17) -0.00772(14) 0.0238(5) Uani 1 1 d . . .
C28 C 0.1603(3) 0.35379(19) -0.07197(15) 0.0294(5) Uani 1 1 d . . .
H28A H 0.0970 0.2918 -0.0859 0.035 Uiso 1 1 calc R . .
C29 C 0.2623(3) 0.37379(19) -0.11458(15) 0.0312(6) Uani 1 1 d . . .
H29A H 0.2689 0.3258 -0.1575 0.037 Uiso 1 1 calc R . .
C30 C 0.3560(3) 0.46448(18) -0.09485(14) 0.0274(5) Uani 1 1 d . . .
H30A H 0.4271 0.4783 -0.1238 0.033 Uiso 1 1 calc R . .
C31 C 0.3445(2) 0.53366(17) -0.03296(14) 0.0229(5) Uani 1 1 d . . .
C32 C 0.0412(2) 0.39531(18) 0.03652(15) 0.0271(5) Uani 1 1 d . . .
H32A H -0.0270 0.3372 0.0143 0.033 Uiso 1 1 calc R . .
C33 C 0.5354(3) 0.65533(19) -0.05008(16) 0.0292(5) Uani 1 1 d . . .
H33A H 0.5950 0.6138 -0.0488 0.044 Uiso 1 1 calc R . .
H33B H 0.5847 0.7231 -0.0269 0.044 Uiso 1 1 calc R . .
H33C H 0.4994 0.6493 -0.1035 0.044 Uiso 1 1 calc R . .
C34 C -0.0763(3) 0.4036(2) 0.14368(17) 0.0366(6) Uani 1 1 d . . .
H34A H -0.1178 0.3339 0.1194 0.044 Uiso 1 1 calc R . .
H34B H -0.1447 0.4388 0.1412 0.044 Uiso 1 1 calc R . .
C35 C -0.0194(3) 0.41587(19) 0.22706(16) 0.0310(6) Uani 1 1 d . . .
H35A H -0.0925 0.3965 0.2570 0.037 Uiso 1 1 calc R . .
H35B H 0.0390 0.3729 0.2295 0.037 Uiso 1 1 calc R . .
C36 C 0.1361(3) 0.5238(2) 0.33467(16) 0.0380(6) Uani 1 1 d . . .
H36A H 0.0767 0.5040 0.3713 0.057 Uiso 1 1 calc R . .
H36B H 0.1905 0.5909 0.3556 0.057 Uiso 1 1 calc R . .
H36C H 0.1937 0.4807 0.3259 0.057 Uiso 1 1 calc R . .
C37 C -0.0341(3) 0.5790(2) 0.27797(19) 0.0411(7) Uani 1 1 d . . .
H37A H -0.0989 0.5504 0.3088 0.062 Uiso 1 1 calc R . .
H37B H -0.0804 0.5829 0.2296 0.062 Uiso 1 1 calc R . .
H37C H 0.0168 0.6444 0.3066 0.062 Uiso 1 1 calc R . .
C38 C 0.3995(3) 0.47039(17) 0.23420(14) 0.0256(5) Uani 1 1 d . . .
C39 C 0.6095(2) 0.82752(17) 0.15990(13) 0.0231(5) Uani 1 1 d . . .
C40 C 0.3034(2) 0.86312(18) -0.02818(13) 0.0223(5) Uani 1 1 d . . .
C41 C 0.1758(2) 0.76255(17) 0.19665(14) 0.0234(5) Uani 1 1 d . . .
C42 C 0.1085(3) 0.8283(2) 0.24493(16) 0.0319(6) Uani 1 1 d . . .
H42A H 0.1434 0.8950 0.2394 0.048 Uiso 1 1 calc R . .
H42B H 0.1258 0.8265 0.2990 0.048 Uiso 1 1 calc R . .
H42C H 0.0128 0.8061 0.2277 0.048 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'
S S 0.1246 0.1234 '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
O3 Zn1 O1 114.80(7) . . ?
O3 Zn1 N5 120.62(8) . . ?
O1 Zn1 N5 124.58(8) . . ?
O3 Zn1 N3 89.63(7) . . ?
O1 Zn1 N3 88.11(7) . . ?
N5 Zn1 N3 91.32(9) . . ?
O3 Zn1 N1 88.11(7) . . ?
O1 Zn1 N1 88.82(7) . . ?
N5 Zn1 N1 93.63(8) . . ?
N3 Zn1 N1 175.04(8) . . ?
N10 Zn2 O8 112.62(8) . . ?
N10 Zn2 N6 109.77(8) . . ?
O8 Zn2 N6 137.28(8) . . ?
N10 Zn2 O5 99.67(8) . . ?
O8 Zn2 O5 93.53(7) . . ?
N6 Zn2 O5 84.41(7) . . ?
N10 Zn2 N7 98.31(8) . . ?
O8 Zn2 N7 87.71(8) . . ?
N6 Zn2 N7 81.18(8) . . ?
O5 Zn2 N7 159.93(7) . . ?
N9 Zn3 N8 110.98(9) . . ?
N9 Zn3 O5 119.13(8) . . ?
N8 Zn3 O5 125.89(8) . . ?
N9 Zn3 O7 104.91(8) . . ?
N8 Zn3 O7 92.98(8) . . ?
O5 Zn3 O7 92.86(7) . . ?
N9 Zn3 O6 88.63(8) . . ?
N8 Zn3 O6 89.24(8) . . ?
O5 Zn3 O6 73.47(6) . . ?
O7 Zn3 O6 164.40(7) . . ?
C7 N1 C9 116.8(2) . . ?
C7 N1 Zn1 122.35(16) . . ?
C9 N1 Zn1 120.81(15) . . ?
C10 N2 C12 113.5(2) . . ?
C10 N2 C11 109.37(19) . . ?
C12 N2 C11 110.7(2) . . ?
C10 N2 H1 109(2) . . ?
C12 N2 H1 109(2) . . ?
C11 N2 H1 105(2) . . ?
C19 N3 C21 116.9(2) . . ?
C19 N3 Zn1 122.93(17) . . ?
C21 N3 Zn1 120.16(16) . . ?
C24 N4 C23 109.8(2) . . ?
C24 N4 C22 113.4(2) . . ?
C23 N4 C22 109.3(2) . . ?
C24 N4 H2 107.9(19) . . ?
C23 N4 H2 108(2) . . ?
C22 N4 H2 109(2) . . ?
C25 N5 Zn1 169.6(2) . . ?
C32 N6 C34 119.2(2) . . ?
C32 N6 Zn2 125.77(17) . . ?
C34 N6 Zn2 113.54(17) . . ?
C35 N7 C37 110.3(2) . . ?
C35 N7 C36 109.7(2) . . ?
C37 N7 C36 107.5(2) . . ?
C35 N7 Zn2 103.71(15) . . ?
C37 N7 Zn2 113.06(16) . . ?
C36 N7 Zn2 112.55(16) . . ?
C40 N8 Zn3 150.4(2) . . ?
C39 N9 Zn3 162.1(2) . . ?
C38 N10 Zn2 163.4(2) . . ?
C1 O1 Zn1 124.55(14) . . ?
C2 O2 C8 116.0(2) . . ?
C13 O3 Zn1 127.01(15) . . ?
C14 O4 C20 116.5(2) . . ?
C26 O5 Zn3 119.52(14) . . ?
C26 O5 Zn2 119.89(14) . . ?
Zn3 O5 Zn2 117.08(8) . . ?
C31 O6 C33 118.51(19) . . ?
C31 O6 Zn3 109.99(13) . . ?
C33 O6 Zn3 127.88(15) . . ?
C41 O7 Zn3 122.35(15) . . ?
C41 O8 Zn2 129.45(16) . . ?
O1 C1 C6 123.7(2) . . ?
O1 C1 C2 119.2(2) . . ?
C6 C1 C2 117.1(2) . . ?
O2 C2 C3 124.1(2) . . ?
O2 C2 C1 114.3(2) . . ?
C3 C2 C1 121.6(2) . . ?
C2 C3 C4 120.4(2) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C5 C4 C3 119.6(2) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 121.2(2) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 C7 116.2(2) . . ?
C1 C6 C7 123.7(2) . . ?
N1 C7 C6 127.6(2) . . ?
N1 C7 H7A 116.2 . . ?
C6 C7 H7A 116.2 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 112.84(19) . . ?
N1 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
N2 C10 C9 114.7(2) . . ?
N2 C10 H10A 108.6 . . ?
C9 C10 H10A 108.6 . . ?
N2 C10 H10B 108.6 . . ?
C9 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O3 C13 C18 124.4(2) . . ?
O3 C13 C14 118.5(2) . . ?
C18 C13 C14 117.0(2) . . ?
O4 C14 C15 124.3(2) . . ?
O4 C14 C13 114.0(2) . . ?
C15 C14 C13 121.7(2) . . ?
C14 C15 C16 119.8(3) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C17 C16 C15 120.3(2) . . ?
C17 C16 H16A 119.8 . . ?
C15 C16 H16A 119.8 . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C13 C18 C17 120.3(2) . . ?
C13 C18 C19 123.7(2) . . ?
C17 C18 C19 115.8(2) . . ?
N3 C19 C18 127.2(2) . . ?
N3 C19 H19A 116.4 . . ?
C18 C19 H19A 116.4 . . ?
O4 C20 H20A 109.5 . . ?
O4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C22 111.93(19) . . ?
N3 C21 H21A 109.2 . . ?
C22 C21 H21A 109.2 . . ?
N3 C21 H21B 109.2 . . ?
C22 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
N4 C22 C21 114.4(2) . . ?
N4 C22 H22A 108.7 . . ?
C21 C22 H22A 108.7 . . ?
N4 C22 H22B 108.7 . . ?
C21 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 S1 178.8(2) . . ?
O5 C26 C27 123.0(2) . . ?
O5 C26 C31 119.2(2) . . ?
C27 C26 C31 117.9(2) . . ?
C26 C27 C28 119.2(2) . . ?
C26 C27 C32 123.0(2) . . ?
C28 C27 C32 117.8(2) . . ?
C29 C28 C27 121.2(2) . . ?
C29 C28 H28A 119.4 . . ?
C27 C28 H28A 119.4 . . ?
C28 C29 C30 120.1(2) . . ?
C28 C29 H29A 120.0 . . ?
C30 C29 H29A 120.0 . . ?
C31 C30 C29 119.4(2) . . ?
C31 C30 H30A 120.3 . . ?
C29 C30 H30A 120.3 . . ?
O6 C31 C30 125.4(2) . . ?
O6 C31 C26 112.3(2) . . ?
C30 C31 C26 122.3(2) . . ?
N6 C32 C27 124.6(2) . . ?
N6 C32 H32A 117.7 . . ?
C27 C32 H32A 117.7 . . ?
O6 C33 H33A 109.5 . . ?
O6 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O6 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N6 C34 C35 107.9(2) . . ?
N6 C34 H34A 110.1 . . ?
C35 C34 H34A 110.1 . . ?
N6 C34 H34B 110.1 . . ?
C35 C34 H34B 110.1 . . ?
H34A C34 H34B 108.4 . . ?
N7 C35 C34 110.7(2) . . ?
N7 C35 H35A 109.5 . . ?
C34 C35 H35A 109.5 . . ?
N7 C35 H35B 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
N7 C36 H36A 109.5 . . ?
N7 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N7 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N7 C37 H37A 109.5 . . ?
N7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N10 C38 S2 177.9(2) . . ?
N9 C39 S3 177.6(2) . . ?
N8 C40 S5 179.0(2) . . ?
O7 C41 O8 124.9(2) . . ?
O7 C41 C42 117.2(2) . . ?
O8 C41 C42 118.0(2) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
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
Zn1 O3 1.9846(16) . ?
Zn1 O1 2.0146(16) . ?
Zn1 N5 2.023(2) . ?
Zn1 N3 2.102(2) . ?
Zn1 N1 2.1138(19) . ?
Zn2 N10 1.993(2) . ?
Zn2 O8 1.9991(17) . ?
Zn2 N6 2.068(2) . ?
Zn2 O5 2.0836(16) . ?
Zn2 N7 2.207(2) . ?
Zn3 N9 1.955(2) . ?
Zn3 N8 1.973(2) . ?
Zn3 O5 1.9783(16) . ?
Zn3 O7 2.0339(17) . ?
Zn3 O6 2.3190(17) . ?
N1 C7 1.276(3) . ?
N1 C9 1.475(3) . ?
N2 C10 1.480(3) . ?
N2 C12 1.481(3) . ?
N2 C11 1.496(3) . ?
N2 H1 0.83(3) . ?
N3 C19 1.284(3) . ?
N3 C21 1.470(3) . ?
N4 C24 1.488(3) . ?
N4 C23 1.488(3) . ?
N4 C22 1.498(3) . ?
N4 H2 0.87(3) . ?
N5 C25 1.159(3) . ?
N6 C32 1.280(3) . ?
N6 C34 1.466(3) . ?
N7 C35 1.475(3) . ?
N7 C37 1.478(3) . ?
N7 C36 1.477(3) . ?
N8 C40 1.159(3) . ?
N9 C39 1.159(3) . ?
N10 C38 1.157(3) . ?
O1 C1 1.317(3) . ?
O2 C2 1.373(3) . ?
O2 C8 1.439(3) . ?
O3 C13 1.317(3) . ?
O4 C14 1.376(3) . ?
O4 C20 1.439(3) . ?
O5 C26 1.335(3) . ?
O6 C31 1.373(3) . ?
O6 C33 1.433(3) . ?
O7 C41 1.257(3) . ?
O8 C41 1.267(3) . ?
S1 C25 1.629(2) . ?
S2 C38 1.631(3) . ?
S3 C39 1.623(3) . ?
S5 C40 1.627(2) . ?
C1 C6 1.412(3) . ?
C1 C2 1.420(3) . ?
C2 C3 1.381(3) . ?
C3 C4 1.392(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.369(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.413(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.456(3) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.543(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.413(3) . ?
C13 C14 1.428(3) . ?
C14 C15 1.379(3) . ?
C15 C16 1.406(4) . ?
C15 H15A 0.9500 . ?
C16 C17 1.359(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.416(3) . ?
C17 H17A 0.9500 . ?
C18 C19 1.447(4) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.515(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 C27 1.411(3) . ?
C26 C31 1.410(3) . ?
C27 C28 1.414(4) . ?
C27 C32 1.454(4) . ?
C28 C29 1.375(4) . ?
C28 H28A 0.9500 . ?
C29 C30 1.395(4) . ?
C29 H29A 0.9500 . ?
C30 C31 1.377(3) . ?
C30 H30A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.523(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C41 C42 1.511(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H1 O3 0.83(3) 1.89(3) 2.681(3) 160(3) .
N2 H1 O4 0.83(3) 2.46(3) 3.008(3) 125(2) .
N4 H2 O1 0.87(3) 1.86(3) 2.676(3) 155(3) .
N4 H2 O2 0.87(3) 2.47(3) 3.103(3) 130(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
O3 Zn1 N1 C7 -95.08(19) . . . . ?
O1 Zn1 N1 C7 19.78(19) . . . . ?
N5 Zn1 N1 C7 144.35(19) . . . . ?
N3 Zn1 N1 C7 -32.1(10) . . . . ?
O3 Zn1 N1 C9 83.45(17) . . . . ?
O1 Zn1 N1 C9 -161.69(17) . . . . ?
N5 Zn1 N1 C9 -37.11(17) . . . . ?
N3 Zn1 N1 C9 146.5(8) . . . . ?
O3 Zn1 N3 C19 17.5(2) . . . . ?
O1 Zn1 N3 C19 -97.4(2) . . . . ?
N5 Zn1 N3 C19 138.1(2) . . . . ?
N1 Zn1 N3 C19 -45.5(10) . . . . ?
O3 Zn1 N3 C21 -162.19(18) . . . . ?
O1 Zn1 N3 C21 82.98(18) . . . . ?
N5 Zn1 N3 C21 -41.58(18) . . . . ?
N1 Zn1 N3 C21 134.8(8) . . . . ?
O3 Zn1 N5 C25 93.2(11) . . . . ?
O1 Zn1 N5 C25 -85.7(11) . . . . ?
N3 Zn1 N5 C25 2.9(11) . . . . ?
N1 Zn1 N5 C25 -176.8(11) . . . . ?
N10 Zn2 N6 C32 -65.3(2) . . . . ?
O8 Zn2 N6 C32 122.2(2) . . . . ?
O5 Zn2 N6 C32 33.0(2) . . . . ?
N7 Zn2 N6 C32 -161.0(2) . . . . ?
N10 Zn2 N6 C34 100.51(19) . . . . ?
O8 Zn2 N6 C34 -72.1(2) . . . . ?
O5 Zn2 N6 C34 -161.20(18) . . . . ?
N7 Zn2 N6 C34 4.79(18) . . . . ?
N10 Zn2 N7 C35 -86.26(16) . . . . ?
O8 Zn2 N7 C35 161.21(16) . . . . ?
N6 Zn2 N7 C35 22.59(15) . . . . ?
O5 Zn2 N7 C35 67.2(3) . . . . ?
N10 Zn2 N7 C37 154.3(2) . . . . ?
O8 Zn2 N7 C37 41.8(2) . . . . ?
N6 Zn2 N7 C37 -96.8(2) . . . . ?
O5 Zn2 N7 C37 -52.2(3) . . . . ?
N10 Zn2 N7 C36 32.3(2) . . . . ?
O8 Zn2 N7 C36 -80.24(19) . . . . ?
N6 Zn2 N7 C36 141.14(19) . . . . ?
O5 Zn2 N7 C36 -174.24(19) . . . . ?
N9 Zn3 N8 C40 -62.6(4) . . . . ?
O5 Zn3 N8 C40 140.3(4) . . . . ?
O7 Zn3 N8 C40 44.6(4) . . . . ?
O6 Zn3 N8 C40 -150.8(4) . . . . ?
N8 Zn3 N9 C39 -18.4(7) . . . . ?
O5 Zn3 N9 C39 140.4(6) . . . . ?
O7 Zn3 N9 C39 -117.6(7) . . . . ?
O6 Zn3 N9 C39 70.3(7) . . . . ?
O8 Zn2 N10 C38 101.8(7) . . . . ?
N6 Zn2 N10 C38 -72.7(7) . . . . ?
O5 Zn2 N10 C38 -160.2(7) . . . . ?
N7 Zn2 N10 C38 10.9(7) . . . . ?
O3 Zn1 O1 C1 54.14(18) . . . . ?
N5 Zn1 O1 C1 -126.84(17) . . . . ?
N3 Zn1 O1 C1 142.86(18) . . . . ?
N1 Zn1 O1 C1 -33.24(17) . . . . ?
O1 Zn1 O3 C13 64.11(19) . . . . ?
N5 Zn1 O3 C13 -114.96(19) . . . . ?
N3 Zn1 O3 C13 -23.64(19) . . . . ?
N1 Zn1 O3 C13 151.94(19) . . . . ?
N9 Zn3 O5 C26 -98.81(17) . . . . ?
N8 Zn3 O5 C26 56.60(19) . . . . ?
O7 Zn3 O5 C26 152.36(16) . . . . ?
O6 Zn3 O5 C26 -20.00(15) . . . . ?
N9 Zn3 O5 Zn2 60.05(12) . . . . ?
N8 Zn3 O5 Zn2 -144.54(9) . . . . ?
O7 Zn3 O5 Zn2 -48.78(9) . . . . ?
O6 Zn3 O5 Zn2 138.87(10) . . . . ?
N10 Zn2 O5 C26 62.85(17) . . . . ?
O8 Zn2 O5 C26 176.51(16) . . . . ?
N6 Zn2 O5 C26 -46.30(16) . . . . ?
N7 Zn2 O5 C26 -90.5(3) . . . . ?
N10 Zn2 O5 Zn3 -95.93(10) . . . . ?
O8 Zn2 O5 Zn3 17.73(9) . . . . ?
N6 Zn2 O5 Zn3 154.92(10) . . . . ?
N7 Zn2 O5 Zn3 110.7(2) . . . . ?
N9 Zn3 O6 C31 140.72(15) . . . . ?
N8 Zn3 O6 C31 -108.27(15) . . . . ?
O5 Zn3 O6 C31 19.72(14) . . . . ?
O7 Zn3 O6 C31 -9.9(3) . . . . ?
N9 Zn3 O6 C33 -61.4(2) . . . . ?
N8 Zn3 O6 C33 49.6(2) . . . . ?
O5 Zn3 O6 C33 177.6(2) . . . . ?
O7 Zn3 O6 C33 148.0(2) . . . . ?
N9 Zn3 O7 C41 -62.4(2) . . . . ?
N8 Zn3 O7 C41 -175.04(19) . . . . ?
O5 Zn3 O7 C41 58.78(19) . . . . ?
O6 Zn3 O7 C41 87.1(3) . . . . ?
N10 Zn2 O8 C41 141.2(2) . . . . ?
N6 Zn2 O8 C41 -46.4(2) . . . . ?
O5 Zn2 O8 C41 39.2(2) . . . . ?
N7 Zn2 O8 C41 -120.8(2) . . . . ?
Zn1 O1 C1 C6 29.8(3) . . . . ?
Zn1 O1 C1 C2 -150.32(16) . . . . ?
C8 O2 C2 C3 -7.9(3) . . . . ?
C8 O2 C2 C1 170.9(2) . . . . ?
O1 C1 C2 O2 2.0(3) . . . . ?
C6 C1 C2 O2 -178.05(19) . . . . ?
O1 C1 C2 C3 -179.1(2) . . . . ?
C6 C1 C2 C3 0.8(3) . . . . ?
O2 C2 C3 C4 179.5(2) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C2 C3 C4 C5 -1.2(4) . . . . ?
C3 C4 C5 C6 -0.1(4) . . . . ?
C4 C5 C6 C1 1.8(4) . . . . ?
C4 C5 C6 C7 -178.4(2) . . . . ?
O1 C1 C6 C5 177.9(2) . . . . ?
C2 C1 C6 C5 -2.0(3) . . . . ?
O1 C1 C6 C7 -1.9(4) . . . . ?
C2 C1 C6 C7 178.2(2) . . . . ?
C9 N1 C7 C6 178.7(2) . . . . ?
Zn1 N1 C7 C6 -2.7(3) . . . . ?
C5 C6 C7 N1 167.7(2) . . . . ?
C1 C6 C7 N1 -12.5(4) . . . . ?
C7 N1 C9 C10 136.2(2) . . . . ?
Zn1 N1 C9 C10 -42.4(3) . . . . ?
C12 N2 C10 C9 -55.4(3) . . . . ?
C11 N2 C10 C9 -179.5(2) . . . . ?
N1 C9 C10 N2 -56.1(3) . . . . ?
Zn1 O3 C13 C18 16.4(3) . . . . ?
Zn1 O3 C13 C14 -164.99(16) . . . . ?
C20 O4 C14 C15 9.0(3) . . . . ?
C20 O4 C14 C13 -171.1(2) . . . . ?
O3 C13 C14 O4 -1.0(3) . . . . ?
C18 C13 C14 O4 177.7(2) . . . . ?
O3 C13 C14 C15 178.9(2) . . . . ?
C18 C13 C14 C15 -2.4(3) . . . . ?
O4 C14 C15 C16 -179.6(2) . . . . ?
C13 C14 C15 C16 0.5(4) . . . . ?
C14 C15 C16 C17 1.4(4) . . . . ?
C15 C16 C17 C18 -1.3(4) . . . . ?
O3 C13 C18 C17 -178.9(2) . . . . ?
C14 C13 C18 C17 2.5(3) . . . . ?
O3 C13 C18 C19 5.9(4) . . . . ?
C14 C13 C18 C19 -172.8(2) . . . . ?
C16 C17 C18 C13 -0.7(4) . . . . ?
C16 C17 C18 C19 174.9(2) . . . . ?
C21 N3 C19 C18 175.3(2) . . . . ?
Zn1 N3 C19 C18 -4.4(4) . . . . ?
C13 C18 C19 N3 -11.8(4) . . . . ?
C17 C18 C19 N3 172.8(2) . . . . ?
C19 N3 C21 C22 133.4(2) . . . . ?
Zn1 N3 C21 C22 -46.9(3) . . . . ?
C24 N4 C22 C21 -49.3(3) . . . . ?
C23 N4 C22 C21 -172.2(2) . . . . ?
N3 C21 C22 N4 -56.1(3) . . . . ?
Zn1 N5 C25 S1 115(12) . . . . ?
Zn3 O5 C26 C27 -160.77(17) . . . . ?
Zn2 O5 C26 C27 41.0(3) . . . . ?
Zn3 O5 C26 C31 18.3(3) . . . . ?
Zn2 O5 C26 C31 -139.96(17) . . . . ?
O5 C26 C27 C28 177.2(2) . . . . ?
C31 C26 C27 C28 -1.9(3) . . . . ?
O5 C26 C27 C32 -4.4(3) . . . . ?
C31 C26 C27 C32 176.5(2) . . . . ?
C26 C27 C28 C29 1.4(4) . . . . ?
C32 C27 C28 C29 -177.1(2) . . . . ?
C27 C28 C29 C30 -0.1(4) . . . . ?
C28 C29 C30 C31 -0.6(4) . . . . ?
C33 O6 C31 C30 2.7(3) . . . . ?
Zn3 O6 C31 C30 162.91(19) . . . . ?
C33 O6 C31 C26 -176.9(2) . . . . ?
Zn3 O6 C31 C26 -16.7(2) . . . . ?
C29 C30 C31 O6 -179.5(2) . . . . ?
C29 C30 C31 C26 0.0(4) . . . . ?
O5 C26 C31 O6 1.7(3) . . . . ?
C27 C26 C31 O6 -179.17(19) . . . . ?
O5 C26 C31 C30 -177.9(2) . . . . ?
C27 C26 C31 C30 1.2(3) . . . . ?
C34 N6 C32 C27 -176.6(2) . . . . ?
Zn2 N6 C32 C27 -11.5(3) . . . . ?
C26 C27 C32 N6 -12.4(4) . . . . ?
C28 C27 C32 N6 166.0(2) . . . . ?
C32 N6 C34 C35 136.0(2) . . . . ?
Zn2 N6 C34 C35 -30.8(3) . . . . ?
C37 N7 C35 C34 74.9(3) . . . . ?
C36 N7 C35 C34 -166.9(2) . . . . ?
Zn2 N7 C35 C34 -46.4(2) . . . . ?
N6 C34 C35 N7 52.9(3) . . . . ?
Zn2 N10 C38 S2 -109(7) . . . . ?
Zn3 N9 C39 S3 166(5) . . . . ?
Zn3 N8 C40 S5 162(14) . . . . ?
Zn3 O7 C41 O8 -17.1(3) . . . . ?
Zn3 O7 C41 C42 162.96(17) . . . . ?
Zn2 O8 C41 O7 -44.3(3) . . . . ?
Zn2 O8 C41 C42 135.6(2) . . . . ?
loop_
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1 PubChem 139152256
