#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/70/4307071.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_4307071
loop_
_publ_author_name
'Ying-Ying Liu'
'Jian-Fang Ma'
'Jin Yang'
'Zhong-Min Su'
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email       jianfangma@yahoo.com.cn
_publ_contact_author_fax         +86-431-85098620
_publ_contact_author_name        'Jian-Fang Ma'
_publ_contact_author_phone       +86-431-85098620
_publ_section_title
;
Syntheses and Characterization of Six Coordination Polymers of Zinc(II) and
Cobalt(II) with 1,3,5-Benzenetricarboxylate Anion and Bis(imidazole) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3027
_journal_page_last               3037
_journal_paper_doi               10.1021/ic061575l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C23 H24 N4 O9.5 Zn1.5'
_chemical_formula_weight         606.52
_chemical_name_systematic
;
 ?
;
_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                109.7940(14)
_cell_angle_beta                 105.7900(14)
_cell_angle_gamma                95.4110(14)
_cell_formula_units_Z            2
_cell_length_a                   10.2300(8)
_cell_length_b                   10.8860(8)
_cell_length_c                   12.6570(10)
_cell_measurement_reflns_used    3682
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.8
_cell_volume                     1248.85(17)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0803
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7767
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.514
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             622
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.490
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5591
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0546
_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)+(0.0805P)²+0.3914P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1322
_refine_ls_wR_factor_ref         0.1689
_reflns_number_gt                3682
_reflns_number_total             5591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061575lsi20061217_095045_1.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C23 H24 N4 O9.50 Zn1.50'
_cod_database_code               4307071
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 1.0000 -0.5000 0.5000 0.0362(2) Uani 1 2 d S . .
Zn2 Zn 0.52986(5) 0.24724(5) 0.67667(5) 0.02488(17) Uani 1 1 d . . .
C1 C 0.9834(5) -0.0828(4) 0.6422(4) 0.0253(10) Uani 1 1 d . . .
C2 C 1.1056(4) -0.0227(4) 0.6365(4) 0.0228(10) Uani 1 1 d . . .
H2 H 1.1721 -0.0724 0.6209 0.027 Uiso 1 1 calc R . .
C3 C 1.1289(4) 0.1118(5) 0.6541(4) 0.0210(9) Uani 1 1 d . . .
C4 C 1.0256(5) 0.1832(5) 0.6722(5) 0.0263(10) Uani 1 1 d . . .
H4 H 1.0383 0.2718 0.6795 0.032 Uiso 1 1 calc R . .
C5 C 0.9044(4) 0.1237(5) 0.6792(4) 0.0232(10) Uani 1 1 d . . .
C6 C 0.8851(5) -0.0088(5) 0.6665(4) 0.0260(10) Uani 1 1 d . . .
H6 H 0.8056 -0.0482 0.6745 0.031 Uiso 1 1 calc R . .
C7 C 0.9616(5) -0.2279(5) 0.6274(5) 0.0328(12) Uani 1 1 d . . .
C8 C 1.2641(5) 0.1827(5) 0.6569(4) 0.0249(10) Uani 1 1 d . . .
C9 C 0.7929(5) 0.2042(5) 0.6941(5) 0.0273(11) Uani 1 1 d . . .
C10 C 0.4469(6) 0.1126(6) 0.1328(5) 0.0379(13) Uani 1 1 d . . .
C11 C 0.3633(7) 0.0041(6) 0.1336(6) 0.0456(15) Uani 1 1 d . . .
H11 H 0.3871 -0.0180 0.2001 0.055 Uiso 1 1 calc R . .
C12 C 0.2472(8) -0.0709(7) 0.0396(6) 0.0572(18) Uani 1 1 d . . .
H12 H 0.1932 -0.1429 0.0422 0.069 Uiso 1 1 calc R . .
C13 C 0.2127(8) -0.0378(7) -0.0575(6) 0.0616(19) Uani 1 1 d . . .
H13 H 0.1339 -0.0872 -0.1217 0.074 Uiso 1 1 calc R . .
C14 C 0.2930(7) 0.0676(6) -0.0619(5) 0.0492(16) Uani 1 1 d . . .
H14 H 0.2688 0.0873 -0.1299 0.059 Uiso 1 1 calc R . .
C15 C 0.4098(6) 0.1456(5) 0.0331(5) 0.0349(12) Uani 1 1 d . . .
C16 C 0.5685(6) 0.1874(6) 0.2397(5) 0.0462(15) Uani 1 1 d . . .
H16A H 0.6336 0.1296 0.2494 0.055 Uiso 1 1 calc R . .
H16B H 0.6148 0.2622 0.2291 0.055 Uiso 1 1 calc R . .
C17 C 0.5128(7) 0.7396(5) 0.9810(5) 0.0426(14) Uani 1 1 d . . .
H17A H 0.5224 0.7626 1.0642 0.051 Uiso 1 1 calc R . .
H17B H 0.4149 0.7241 0.9373 0.051 Uiso 1 1 calc R . .
C18 C 0.5635(6) 0.2022(6) 0.4404(5) 0.0388(13) Uani 1 1 d . . .
H18 H 0.6226 0.1438 0.4491 0.047 Uiso 1 1 calc R . .
C19 C 0.4268(6) 0.3356(6) 0.4720(5) 0.0391(13) Uani 1 1 d . . .
H19 H 0.3709 0.3871 0.5067 0.047 Uiso 1 1 calc R . .
C20 C 0.4436(7) 0.3233(6) 0.3675(5) 0.0505(16) Uani 1 1 d . . .
H20 H 0.4041 0.3664 0.3184 0.061 Uiso 1 1 calc R . .
C21 C 0.5019(6) 0.5110(5) 0.8361(5) 0.0335(12) Uani 1 1 d . . .
H21 H 0.4162 0.5047 0.7826 0.040 Uiso 1 1 calc R . .
C22 C 0.6934(5) 0.4663(6) 0.9193(5) 0.0376(13) Uani 1 1 d . . .
H22 H 0.7660 0.4226 0.9338 0.045 Uiso 1 1 calc R . .
C23 C 0.6860(6) 0.5878(6) 0.9919(5) 0.0464(15) Uani 1 1 d . . .
H23 H 0.7512 0.6417 1.0648 0.056 Uiso 1 1 calc R . .
N1 N 0.5048(4) 0.2605(4) 0.5187(4) 0.0301(9) Uani 1 1 d . . .
N2 N 0.5283(5) 0.2369(5) 0.3470(4) 0.0370(11) Uani 1 1 d . . .
N3 N 0.5761(4) 0.4178(4) 0.8206(4) 0.0283(9) Uani 1 1 d . . .
N4 N 0.5645(4) 0.6156(4) 0.9377(4) 0.0327(10) Uani 1 1 d . . .
O1 O 1.0207(4) -0.2991(3) 0.5619(4) 0.0414(10) Uani 1 1 d . . .
O2 O 0.8912(4) -0.2654(4) 0.6798(4) 0.0505(11) Uani 1 1 d . . .
O3 O 0.6782(4) 0.1437(3) 0.6905(3) 0.0344(9) Uani 1 1 d . . .
O4 O 0.8161(4) 0.3237(3) 0.7082(4) 0.0381(9) Uani 1 1 d . . .
O5 O 1.2735(3) 0.2923(3) 0.6489(3) 0.0344(9) Uani 1 1 d . . .
O6 O 1.3669(3) 0.1242(3) 0.6698(3) 0.0327(8) Uani 1 1 d . . .
O1W O 0.8469(5) -0.5144(4) 0.3319(4) 0.0470(10) Uani 1 1 d D . .
H1A H 0.808(7) -0.446(5) 0.345(5) 0.071 Uiso 1 1 d D . .
H1B H 0.874(7) -0.533(6) 0.270(4) 0.071 Uiso 1 1 d D . .
O2W O 0.8326(4) -0.5261(4) 0.5637(4) 0.0414(10) Uani 1 1 d D . .
H2A H 0.834(7) -0.582(4) 0.601(5) 0.062 Uiso 1 1 d D . .
H2B H 0.844(7) -0.444(3) 0.620(4) 0.062 Uiso 1 1 d D . .
O3W O 0.8972(11) -0.2425(11) 0.8973(10) 0.066(3) Uani 0.50 1 d PD . .
H3A H 0.823(10) -0.274(14) 0.834(8) 0.100 Uiso 0.50 1 d PD . .
H3B H 0.886(15) -0.173(11) 0.952(9) 0.100 Uiso 0.50 1 d PD . .
O4W O 1.0400(6) 0.5544(7) 0.8531(6) 0.0927(19) Uani 1 1 d D . .
H4A H 0.963(6) 0.489(6) 0.813(8) 0.139 Uiso 1 1 d D . .
H4B H 1.006(9) 0.632(5) 0.861(9) 0.139 Uiso 1 1 d 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'
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
_geom_angle_publ_flag
O1 Zn1 O1 180.0(3) . 2_746 ?
O1 Zn1 O2W 87.34(14) . 2_746 ?
O1 Zn1 O2W 92.66(14) 2_746 2_746 ?
O1 Zn1 O2W 92.66(14) . . ?
O1 Zn1 O2W 87.34(14) 2_746 . ?
O2W Zn1 O2W 180.00(10) 2_746 . ?
O1 Zn1 O1W 89.26(16) . . ?
O1 Zn1 O1W 90.74(16) 2_746 . ?
O2W Zn1 O1W 91.64(16) 2_746 . ?
O2W Zn1 O1W 88.36(16) . . ?
O1 Zn1 O1W 90.74(16) . 2_746 ?
O1 Zn1 O1W 89.26(16) 2_746 2_746 ?
O2W Zn1 O1W 88.36(16) 2_746 2_746 ?
O2W Zn1 O1W 91.64(16) . 2_746 ?
O1W Zn1 O1W 180.0(2) . 2_746 ?
O3 Zn2 O6 102.52(13) . 1_455 ?
O3 Zn2 N1 102.90(15) . . ?
O6 Zn2 N1 110.74(16) 1_455 . ?
O3 Zn2 N3 111.47(16) . . ?
O6 Zn2 N3 109.77(15) 1_455 . ?
N1 Zn2 N3 118.16(17) . . ?
C6 C1 C2 120.0(4) . . ?
C6 C1 C7 120.3(4) . . ?
C2 C1 C7 119.6(4) . . ?
C1 C2 C3 120.2(4) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 119.1(4) . . ?
C2 C3 C8 121.7(4) . . ?
C4 C3 C8 119.2(4) . . ?
C5 C4 C3 120.7(4) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.5(4) . . ?
C4 C5 C9 118.6(4) . . ?
C6 C5 C9 121.8(4) . . ?
C1 C6 C5 120.4(4) . . ?
C1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
O2 C7 O1 126.0(5) . . ?
O2 C7 C1 118.9(5) . . ?
O1 C7 C1 115.1(4) . . ?
O5 C8 O6 122.7(4) . . ?
O5 C8 C3 120.5(4) . . ?
O6 C8 C3 116.8(4) . . ?
O4 C9 O3 123.2(4) . . ?
O4 C9 C5 119.6(4) . . ?
O3 C9 C5 117.2(4) . . ?
C15 C10 C11 118.4(6) . . ?
C15 C10 C16 124.0(5) . . ?
C11 C10 C16 117.6(5) . . ?
C12 C11 C10 122.3(6) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C13 C12 C11 118.5(6) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C14 120.8(6) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C15 121.3(6) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C10 118.7(5) . . ?
C14 C15 C17 116.3(5) . 2_666 ?
C10 C15 C17 125.0(5) . 2_666 ?
N2 C16 C10 111.7(5) . . ?
N2 C16 H16A 109.3 . . ?
C10 C16 H16A 109.3 . . ?
N2 C16 H16B 109.3 . . ?
C10 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
N4 C17 C15 112.1(4) . 2_666 ?
N4 C17 H17A 109.2 . . ?
C15 C17 H17A 109.2 2_666 . ?
N4 C17 H17B 109.2 . . ?
C15 C17 H17B 109.2 2_666 . ?
H17A C17 H17B 107.9 . . ?
N1 C18 N2 111.6(5) . . ?
N1 C18 H18 124.2 . . ?
N2 C18 H18 124.2 . . ?
C20 C19 N1 108.9(5) . . ?
C20 C19 H19 125.5 . . ?
N1 C19 H19 125.5 . . ?
C19 C20 N2 107.2(5) . . ?
C19 C20 H20 126.4 . . ?
N2 C20 H20 126.4 . . ?
N3 C21 N4 111.8(5) . . ?
N3 C21 H21 124.1 . . ?
N4 C21 H21 124.1 . . ?
C23 C22 N3 109.2(5) . . ?
C23 C22 H22 125.4 . . ?
N3 C22 H22 125.4 . . ?
C22 C23 N4 106.7(5) . . ?
C22 C23 H23 126.6 . . ?
N4 C23 H23 126.6 . . ?
C18 N1 C19 105.5(4) . . ?
C18 N1 Zn2 127.3(4) . . ?
C19 N1 Zn2 127.1(3) . . ?
C18 N2 C20 106.7(5) . . ?
C18 N2 C16 127.1(5) . . ?
C20 N2 C16 126.1(5) . . ?
C21 N3 C22 105.3(4) . . ?
C21 N3 Zn2 126.2(4) . . ?
C22 N3 Zn2 128.4(3) . . ?
C21 N4 C23 107.0(4) . . ?
C21 N4 C17 126.2(5) . . ?
C23 N4 C17 126.8(5) . . ?
C7 O1 Zn1 128.6(3) . . ?
C9 O3 Zn2 112.9(3) . . ?
C8 O6 Zn2 106.5(3) . 1_655 ?
Zn1 O1W H1A 110(4) . . ?
Zn1 O1W H1B 117(5) . . ?
H1A O1W H1B 114(4) . . ?
Zn1 O2W H2A 117(4) . . ?
Zn1 O2W H2B 102(4) . . ?
H2A O2W H2B 106(3) . . ?
H3A O3W H3B 111(5) . . ?
H4A O4W H4B 104(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
Zn1 O1 2.026(3) . ?
Zn1 O1 2.026(3) 2_746 ?
Zn1 O2W 2.116(4) 2_746 ?
Zn1 O2W 2.116(4) . ?
Zn1 O1W 2.218(4) . ?
Zn1 O1W 2.218(4) 2_746 ?
Zn2 O3 1.979(3) . ?
Zn2 O6 2.000(3) 1_455 ?
Zn2 N1 2.002(4) . ?
Zn2 N3 2.017(4) . ?
C1 C6 1.381(6) . ?
C1 C2 1.386(6) . ?
C1 C7 1.513(6) . ?
C2 C3 1.391(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(6) . ?
C3 C8 1.504(6) . ?
C4 C5 1.383(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(6) . ?
C5 C9 1.516(6) . ?
C6 H6 0.9300 . ?
C7 O2 1.230(6) . ?
C7 O1 1.257(6) . ?
C8 O5 1.228(5) . ?
C8 O6 1.282(5) . ?
C9 O4 1.242(6) . ?
C9 O3 1.272(5) . ?
C10 C15 1.391(7) . ?
C10 C11 1.396(8) . ?
C10 C16 1.479(8) . ?
C11 C12 1.372(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.362(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.374(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.389(8) . ?
C14 H14 0.9300 . ?
C15 C17 1.505(7) 2_666 ?
C16 N2 1.468(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N4 1.481(6) . ?
C17 C15 1.505(7) 2_666 ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 N1 1.309(6) . ?
C18 N2 1.330(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.343(8) . ?
C19 N1 1.360(6) . ?
C19 H19 0.9300 . ?
C20 N2 1.346(7) . ?
C20 H20 0.9300 . ?
C21 N3 1.318(6) . ?
C21 N4 1.336(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.354(8) . ?
C22 N3 1.377(7) . ?
C22 H22 0.9300 . ?
C23 N4 1.362(7) . ?
C23 H23 0.9300 . ?
O6 Zn2 2.000(3) 1_655 ?
O1W H1A 0.87(3) . ?
O1W H1B 0.87(3) . ?
O2W H2A 0.89(3) . ?
O2W H2B 0.91(3) . ?
O3W H3A 0.87(3) . ?
O3W H3B 0.87(3) . ?
O4W H4A 0.90(3) . ?
O4W H4B 0.92(3) . ?
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
O1W H1A O5 0.87(3) 1.92(3) 2.784(5) 171(6) 2_756
O1W H1B O4W 0.87(3) 1.95(3) 2.809(8) 171(7) 2_756
O2W H2B O2 0.91(3) 1.79(3) 2.636(6) 153(5) .
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
C6 C1 C2 C3 -0.7(7) . . . . ?
C7 C1 C2 C3 -177.7(4) . . . . ?
C1 C2 C3 C4 -2.8(7) . . . . ?
C1 C2 C3 C8 175.8(4) . . . . ?
C2 C3 C4 C5 3.6(7) . . . . ?
C8 C3 C4 C5 -175.1(4) . . . . ?
C3 C4 C5 C6 -0.8(7) . . . . ?
C3 C4 C5 C9 -177.7(4) . . . . ?
C2 C1 C6 C5 3.5(7) . . . . ?
C7 C1 C6 C5 -179.5(5) . . . . ?
C4 C5 C6 C1 -2.7(7) . . . . ?
C9 C5 C6 C1 174.0(5) . . . . ?
C6 C1 C7 O2 -28.2(8) . . . . ?
C2 C1 C7 O2 148.9(5) . . . . ?
C6 C1 C7 O1 152.7(5) . . . . ?
C2 C1 C7 O1 -30.2(7) . . . . ?
C2 C3 C8 O5 165.5(5) . . . . ?
C4 C3 C8 O5 -15.9(7) . . . . ?
C2 C3 C8 O6 -15.6(7) . . . . ?
C4 C3 C8 O6 163.0(4) . . . . ?
C4 C5 C9 O4 -5.1(7) . . . . ?
C6 C5 C9 O4 178.2(5) . . . . ?
C4 C5 C9 O3 174.4(5) . . . . ?
C6 C5 C9 O3 -2.4(7) . . . . ?
C15 C10 C11 C12 0.5(9) . . . . ?
C16 C10 C11 C12 179.2(6) . . . . ?
C10 C11 C12 C13 -0.1(10) . . . . ?
C11 C12 C13 C14 0.6(11) . . . . ?
C12 C13 C14 C15 -1.4(11) . . . . ?
C13 C14 C15 C10 1.8(9) . . . . ?
C13 C14 C15 C17 -178.5(6) . . . 2_666 ?
C11 C10 C15 C14 -1.3(8) . . . . ?
C16 C10 C15 C14 -180.0(5) . . . . ?
C11 C10 C15 C17 179.0(5) . . . 2_666 ?
C16 C10 C15 C17 0.3(9) . . . 2_666 ?
C15 C10 C16 N2 122.4(6) . . . . ?
C11 C10 C16 N2 -56.3(7) . . . . ?
N1 C19 C20 N2 2.1(7) . . . . ?
N3 C22 C23 N4 -0.6(7) . . . . ?
N2 C18 N1 C19 0.6(6) . . . . ?
N2 C18 N1 Zn2 -177.4(4) . . . . ?
C20 C19 N1 C18 -1.6(7) . . . . ?
C20 C19 N1 Zn2 176.4(4) . . . . ?
O3 Zn2 N1 C18 6.2(5) . . . . ?
O6 Zn2 N1 C18 -102.8(5) 1_455 . . . ?
N3 Zn2 N1 C18 129.4(4) . . . . ?
O3 Zn2 N1 C19 -171.4(4) . . . . ?
O6 Zn2 N1 C19 79.6(5) 1_455 . . . ?
N3 Zn2 N1 C19 -48.2(5) . . . . ?
N1 C18 N2 C20 0.7(7) . . . . ?
N1 C18 N2 C16 -177.0(5) . . . . ?
C19 C20 N2 C18 -1.7(7) . . . . ?
C19 C20 N2 C16 176.1(6) . . . . ?
C10 C16 N2 C18 115.8(6) . . . . ?
C10 C16 N2 C20 -61.6(8) . . . . ?
N4 C21 N3 C22 0.3(6) . . . . ?
N4 C21 N3 Zn2 -176.2(3) . . . . ?
C23 C22 N3 C21 0.2(6) . . . . ?
C23 C22 N3 Zn2 176.6(4) . . . . ?
O3 Zn2 N3 C21 176.7(4) . . . . ?
O6 Zn2 N3 C21 -70.4(4) 1_455 . . . ?
N1 Zn2 N3 C21 57.8(4) . . . . ?
O3 Zn2 N3 C22 1.1(5) . . . . ?
O6 Zn2 N3 C22 113.9(4) 1_455 . . . ?
N1 Zn2 N3 C22 -117.8(4) . . . . ?
N3 C21 N4 C23 -0.7(6) . . . . ?
N3 C21 N4 C17 177.8(4) . . . . ?
C22 C23 N4 C21 0.8(6) . . . . ?
C22 C23 N4 C17 -177.7(5) . . . . ?
C15 C17 N4 C21 -104.3(6) 2_666 . . . ?
C15 C17 N4 C23 73.8(7) 2_666 . . . ?
O2 C7 O1 Zn1 9.9(9) . . . . ?
C1 C7 O1 Zn1 -171.1(3) . . . . ?
O2W Zn1 O1 C7 -171.8(5) 2_746 . . . ?
O2W Zn1 O1 C7 8.2(5) . . . . ?
O1W Zn1 O1 C7 96.5(5) . . . . ?
O1W Zn1 O1 C7 -83.5(5) 2_746 . . . ?
O4 C9 O3 Zn2 11.7(6) . . . . ?
C5 C9 O3 Zn2 -167.7(3) . . . . ?
O6 Zn2 O3 C9 178.8(3) 1_455 . . . ?
N1 Zn2 O3 C9 63.8(4) . . . . ?
N3 Zn2 O3 C9 -63.8(4) . . . . ?
O5 C8 O6 Zn2 1.3(6) . . . 1_655 ?
C3 C8 O6 Zn2 -177.7(3) . . . 1_655 ?
