#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:06:53 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179557 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/26/4502658.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_4502658
loop_
_publ_author_name
'Hua, Qin'
'Zhao, Yue'
'Xu, Guan-Cheng'
'Chen, Man-Sheng'
'Su, Zhi'
'Cai, Kai'
'Sun, Wei-Yin'
_publ_section_title
;
 Synthesis, Structures, and Properties of Zinc(II) and Cadmium(II)
 Complexes with 1,2,4,5-Tetrakis(imidazol-1-ylmethyl)benzene and
 Multicarboxylate Ligands
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2553
_journal_paper_doi               10.1021/cg901480y
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C23 H21 N4 O8 Zn2'
_chemical_formula_weight         612.18
_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                98.271(2)
_cell_angle_beta                 109.8030(10)
_cell_angle_gamma                99.816(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9236(13)
_cell_length_b                   11.6713(15)
_cell_length_c                   11.9072(16)
_cell_measurement_reflns_used    1895
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.05
_cell_measurement_theta_min      2.322
_cell_volume                     1248.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0717
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6378
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.977
_exptl_absorpt_correction_T_max  0.7558
_exptl_absorpt_correction_T_min  0.6932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             622
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         4431
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.909
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0399
_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)+(0.0417P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                3036
_reflns_number_total             4431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901480y_si_002.cif
_cod_data_source_block           5
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4502658
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_group
C1 C 1.0062(4) 0.4592(3) 0.6074(4) 0.0329(10) Uani 1 1 d . .
C2 C 1.0494(4) 0.3976(3) 0.5213(4) 0.0302(9) Uani 1 1 d . .
C3 C 1.0425(4) 0.4387(3) 0.4169(4) 0.0348(10) Uani 1 1 d . .
H7 H 1.0717 0.3964 0.3604 0.042 Uiso 1 1 calc R .
C4 C 1.0109(6) 0.4170(4) 0.7213(4) 0.0502(12) Uani 1 1 d . .
H17 H 0.9325 0.3461 0.6999 0.060 Uiso 1 1 calc R .
H17B H 1.1039 0.3954 0.7570 0.060 Uiso 1 1 calc R .
C5 C 1.1027(6) 0.5988(5) 0.8923(5) 0.0840(19) Uani 1 1 d . .
H20 H 1.2033 0.6116 0.9090 0.101 Uiso 1 1 calc R .
C6 C 1.0328(7) 0.6679(5) 0.9427(5) 0.0847(19) Uani 1 1 d . .
H19 H 1.0801 0.7379 1.0020 0.102 Uiso 1 1 calc R .
C7 C 0.8664(5) 0.5248(4) 0.8163(4) 0.0480(12) Uani 1 1 d . .
H11 H 0.7752 0.4741 0.7685 0.058 Uiso 1 1 calc R .
C8 C 1.1069(4) 0.2859(3) 0.5354(4) 0.0348(10) Uani 1 1 d . .
H5 H 1.1985 0.2956 0.5212 0.042 Uiso 1 1 calc R .
H5B H 1.1282 0.2760 0.6187 0.042 Uiso 1 1 calc R .
C9 C 0.8861(5) 0.1129(4) 0.4690(4) 0.0432(11) Uani 1 1 d . .
H10 H 0.8564 0.1285 0.5347 0.052 Uiso 1 1 calc R .
C10 C 0.8231(5) 0.0210(4) 0.3709(4) 0.0437(11) Uani 1 1 d . .
H15 H 0.7409 -0.0389 0.3577 0.052 Uiso 1 1 calc R .
C11 C 1.0074(5) 0.1255(3) 0.3457(4) 0.0346(10) Uani 1 1 d . .
H3 H 1.0772 0.1528 0.3137 0.042 Uiso 1 1 calc R .
C12 C 0.4983(4) -0.3118(3) 0.2574(4) 0.0353(10) Uani 1 1 d . .
C13 C 0.4447(4) -0.2128(4) 0.2278(4) 0.0399(10) Uani 1 1 d . .
H13 H 0.4424 -0.1906 0.1553 0.048 Uiso 1 1 calc R .
C14 C 0.3948(4) -0.1474(4) 0.3051(4) 0.0417(11) Uani 1 1 d . .
C15 C 0.3981(4) -0.1846(4) 0.4127(4) 0.0461(12) Uani 1 1 d . .
H16 H 0.3673 -0.1401 0.4665 0.055 Uiso 1 1 calc R .
C16 C 0.4450(4) -0.2842(4) 0.4413(4) 0.0408(11) Uani 1 1 d . .
C17 C 0.4976(4) -0.3464(4) 0.3638(4) 0.0394(11) Uani 1 1 d . .
H4 H 0.5331 -0.4126 0.3835 0.047 Uiso 1 1 calc R .
C18 C 0.5466(5) -0.3851(4) 0.1699(4) 0.0495(12) Uani 1 1 d . .
H22 H 0.4592 -0.4290 0.1002 0.059 Uiso 1 1 calc R .
H22B H 0.5917 -0.4432 0.2102 0.059 Uiso 1 1 calc R .
C19 C 0.6534(4) -0.3186(3) 0.1220(4) 0.0326(9) Uani 1 1 d . .
C20 C 0.3328(5) -0.0418(4) 0.2719(5) 0.0556(13) Uani 1 1 d . .
H18 H 0.3716 -0.0124 0.2141 0.067 Uiso 1 1 calc R .
H18B H 0.3682 0.0211 0.3450 0.067 Uiso 1 1 calc R .
C21 C 0.1653(5) -0.0662(4) 0.2167(4) 0.0372(10) Uani 1 1 d . .
C22 C 0.4331(5) -0.3268(5) 0.5508(4) 0.0575(14) Uani 1 1 d . .
H23 H 0.3828 -0.4105 0.5247 0.069 Uiso 1 1 calc R .
H23B H 0.3709 -0.2844 0.5794 0.069 Uiso 1 1 calc R .
C23 C 0.5760(5) -0.3134(4) 0.6591(4) 0.0411(11) Uani 1 1 d . .
H30 H 0.827(4) -0.097(3) -0.050(4) 0.037(13) Uiso 1 1 d . .
N1 N 0.8846(4) 0.6222(3) 0.8959(3) 0.0456(9) Uani 1 1 d . .
N2 N 0.9948(4) 0.5071(3) 0.8123(3) 0.0433(9) Uani 1 1 d . .
N3 N 0.8992(4) 0.0291(3) 0.2929(3) 0.0349(8) Uani 1 1 d . .
N4 N 1.0034(3) 0.1787(2) 0.4516(3) 0.0311(8) Uani 1 1 d . .
O1 O 0.7446(3) -0.2260(2) 0.1904(2) 0.0404(7) Uani 1 1 d . .
O2 O 0.6478(4) -0.3646(2) 0.0202(3) 0.0634(10) Uani 1 1 d . .
O3 O 0.1076(3) 0.0017(3) 0.1534(3) 0.0499(8) Uani 1 1 d . .
O4 O 0.0876(3) -0.1504(2) 0.2392(3) 0.0399(7) Uani 1 1 d . .
O5 O 0.6942(4) -0.2867(3) 0.6505(3) 0.0714(11) Uani 1 1 d . .
O6 O 0.5569(3) -0.3359(3) 0.7549(3) 0.0547(9) Uani 1 1 d . .
O7 O 0.7910(4) -0.1325(3) -0.0141(3) 0.0439(8) Uani 1 1 d . .
O2W O 0.529(2) 0.956(3) 0.985(2) 0.37(3) Uani 0.55(2) 1 d P 1
O2WA O 0.364(2) 0.776(2) 0.861(2) 0.225(14) Uani 0.45(2) 1 d P 2
Zn1 Zn 0.88992(5) -0.10047(4) 0.15946(4) 0.03377(15) Uani 1 1 d . .
Zn2 Zn 0.72703(6) -0.29746(4) -0.09358(4) 0.04162(17) 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'
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
C3 C1 C2 117.4(3) 2_766 .
C3 C1 C4 121.1(3) 2_766 .
C2 C1 C4 121.4(3) . .
C3 C2 C1 119.8(3) . .
C3 C2 C8 116.5(3) . .
C1 C2 C8 123.7(3) . .
C2 C3 C1 122.8(4) . 2_766
C2 C3 H7 118.6 . .
C1 C3 H7 118.6 2_766 .
N2 C4 C1 112.8(3) . .
N2 C4 H17 109.0 . .
C1 C4 H17 109.0 . .
N2 C4 H17B 109.0 . .
C1 C4 H17B 109.0 . .
H17 C4 H17B 107.8 . .
N2 C5 C6 105.1(5) . .
N2 C5 H20 127.5 . .
C6 C5 H20 127.5 . .
C5 C6 N1 111.5(5) . .
C5 C6 H19 124.3 . .
N1 C6 H19 124.3 . .
N1 C7 N2 112.0(4) . .
N1 C7 H11 124.0 . .
N2 C7 H11 124.0 . .
N4 C8 C2 113.0(3) . .
N4 C8 H5 109.0 . .
C2 C8 H5 109.0 . .
N4 C8 H5B 109.0 . .
C2 C8 H5B 109.0 . .
H5 C8 H5B 107.8 . .
C10 C9 N4 105.7(4) . .
C10 C9 H10 127.1 . .
N4 C9 H10 127.1 . .
C9 C10 N3 109.8(4) . .
C9 C10 H15 125.1 . .
N3 C10 H15 125.1 . .
N3 C11 N4 110.9(3) . .
N3 C11 H3 124.5 . .
N4 C11 H3 124.5 . .
C17 C12 C13 119.4(4) . .
C17 C12 C18 120.5(4) . .
C13 C12 C18 119.9(4) . .
C14 C13 C12 120.6(4) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 118.1(4) . .
C13 C14 C20 120.8(4) . .
C15 C14 C20 121.0(4) . .
C16 C15 C14 122.3(4) . .
C16 C15 H16 118.8 . .
C14 C15 H16 118.8 . .
C15 C16 C17 118.4(4) . .
C15 C16 C22 120.4(4) . .
C17 C16 C22 121.2(4) . .
C16 C17 C12 121.2(4) . .
C16 C17 H4 119.4 . .
C12 C17 H4 119.4 . .
C12 C18 C19 117.1(3) . .
C12 C18 H22 108.0 . .
C19 C18 H22 108.0 . .
C12 C18 H22B 108.0 . .
C19 C18 H22B 108.0 . .
H22 C18 H22B 107.3 . .
O2 C19 O1 125.1(4) . .
O2 C19 C18 116.5(4) . .
O1 C19 C18 118.2(4) . .
C14 C20 C21 115.5(4) . .
C14 C20 H18 108.4 . .
C21 C20 H18 108.4 . .
C14 C20 H18B 108.4 . .
C21 C20 H18B 108.4 . .
H18 C20 H18B 107.5 . .
O3 C21 O4 121.1(4) . .
O3 C21 C20 118.6(4) . .
O4 C21 C20 120.3(4) . .
O3 C21 Zn1 65.7(2) . 1_455
O4 C21 Zn1 55.6(2) . 1_455
C20 C21 Zn1 171.0(3) . 1_455
C16 C22 C23 117.4(4) . .
C16 C22 H23 107.9 . .
C23 C22 H23 107.9 . .
C16 C22 H23B 107.9 . .
C23 C22 H23B 107.9 . .
H23 C22 H23B 107.2 . .
O5 C23 O6 124.8(4) . .
O5 C23 C22 121.3(4) . .
O6 C23 C22 114.0(4) . .
C7 N1 C6 103.9(4) . .
C7 N1 Zn2 125.7(3) . 1_566
C6 N1 Zn2 128.3(3) . 1_566
C7 N2 C5 107.5(4) . .
C7 N2 C4 125.3(4) . .
C5 N2 C4 126.2(4) . .
C11 N3 C10 105.6(3) . .
C11 N3 Zn1 125.0(3) . .
C10 N3 Zn1 126.8(3) . .
C11 N4 C9 108.0(3) . .
C11 N4 C8 126.2(3) . .
C9 N4 C8 125.8(3) . .
C19 O1 Zn1 131.7(3) . .
C19 O2 Zn2 130.8(3) . .
C21 O3 Zn1 84.8(2) . 1_455
C21 O4 Zn1 94.5(2) . 1_455
C23 O6 Zn2 118.3(3) . 1_556
Zn1 O7 Zn2 115.13(15) . .
Zn1 O7 H30 118(3) . .
Zn2 O7 H30 110(3) . .
O7 Zn1 N3 132.00(13) . .
O7 Zn1 O1 96.46(12) . .
N3 Zn1 O1 94.92(12) . .
O7 Zn1 O4 121.28(12) . 1_655
N3 Zn1 O4 101.72(13) . 1_655
O1 Zn1 O4 101.20(11) . 1_655
O7 Zn1 O3 93.13(12) . 1_655
N3 Zn1 O3 91.30(12) . 1_655
O1 Zn1 O3 160.35(11) . 1_655
O4 Zn1 O3 59.23(10) 1_655 1_655
O7 Zn1 C21 110.66(14) . 1_655
N3 Zn1 C21 95.75(13) . 1_655
O1 Zn1 C21 131.02(13) . 1_655
O4 Zn1 C21 29.83(11) 1_655 1_655
O3 Zn1 C21 29.49(10) 1_655 1_655
O7 Zn2 O6 114.72(13) . 1_554
O7 Zn2 O2 100.56(13) . .
O6 Zn2 O2 103.19(14) 1_554 .
O7 Zn2 N1 115.85(15) . 1_544
O6 Zn2 N1 113.15(14) 1_554 1_544
O2 Zn2 N1 107.34(14) . 1_544
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C3 1.392(5) 2_766
C1 C2 1.394(5) .
C1 C4 1.497(5) .
C2 C3 1.380(5) .
C2 C8 1.519(5) .
C3 C1 1.392(5) 2_766
C3 H7 0.9300 .
C4 N2 1.467(5) .
C4 H17 0.9700 .
C4 H17B 0.9700 .
C5 N2 1.351(6) .
C5 C6 1.351(7) .
C5 H20 0.9300 .
C6 N1 1.360(6) .
C6 H19 0.9300 .
C7 N1 1.314(5) .
C7 N2 1.340(5) .
C7 H11 0.9300 .
C8 N4 1.457(5) .
C8 H5 0.9700 .
C8 H5B 0.9700 .
C9 C10 1.350(6) .
C9 N4 1.375(5) .
C9 H10 0.9300 .
C10 N3 1.385(5) .
C10 H15 0.9300 .
C11 N3 1.319(5) .
C11 N4 1.340(5) .
C11 H3 0.9300 .
C12 C17 1.385(5) .
C12 C13 1.394(5) .
C12 C18 1.507(5) .
C13 C14 1.382(6) .
C13 H13 0.9300 .
C14 C15 1.404(6) .
C14 C20 1.512(6) .
C15 C16 1.369(6) .
C15 H16 0.9300 .
C16 C17 1.384(6) .
C16 C22 1.494(6) .
C17 H4 0.9300 .
C18 C19 1.519(5) .
C18 H22 0.9700 .
C18 H22B 0.9700 .
C19 O2 1.232(5) .
C19 O1 1.250(4) .
C20 C21 1.524(6) .
C20 H18 0.9700 .
C20 H18B 0.9700 .
C21 O3 1.249(5) .
C21 O4 1.260(4) .
C21 Zn1 2.526(4) 1_455
C22 C23 1.525(6) .
C22 H23 0.9700 .
C22 H23B 0.9700 .
C23 O5 1.205(5) .
C23 O6 1.273(5) .
N1 Zn2 1.985(3) 1_566
N3 Zn1 1.996(3) .
O1 Zn1 2.039(3) .
O2 Zn2 1.971(3) .
O3 Zn1 2.312(3) 1_455
O4 Zn1 2.091(3) 1_455
O6 Zn2 1.936(3) 1_556
O7 Zn1 1.912(3) .
O7 Zn2 1.912(3) .
O7 H30 0.77(4) .
O2W O2W 1.31(5) 2_677
Zn1 O4 2.091(3) 1_655
Zn1 O3 2.312(3) 1_655
Zn1 C21 2.526(4) 1_655
Zn2 O6 1.936(3) 1_554
Zn2 N1 1.985(3) 1_544
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
C3 C1 C2 C3 -0.1(6) 2_766 .
C4 C1 C2 C3 179.5(4) . .
C3 C1 C2 C8 179.2(4) 2_766 .
C4 C1 C2 C8 -1.3(6) . .
C1 C2 C3 C1 0.1(7) . 2_766
C8 C2 C3 C1 -179.2(4) . 2_766
C3 C1 C4 N2 -13.8(6) 2_766 .
C2 C1 C4 N2 166.6(4) . .
N2 C5 C6 N1 -0.4(7) . .
C3 C2 C8 N4 -71.7(4) . .
C1 C2 C8 N4 109.0(4) . .
N4 C9 C10 N3 -0.2(5) . .
C17 C12 C13 C14 1.8(6) . .
C18 C12 C13 C14 177.5(4) . .
C12 C13 C14 C15 -0.9(6) . .
C12 C13 C14 C20 -178.4(4) . .
C13 C14 C15 C16 -1.7(6) . .
C20 C14 C15 C16 175.8(4) . .
C14 C15 C16 C17 3.2(6) . .
C14 C15 C16 C22 -174.2(4) . .
C15 C16 C17 C12 -2.3(6) . .
C22 C16 C17 C12 175.1(4) . .
C13 C12 C17 C16 -0.2(6) . .
C18 C12 C17 C16 -175.9(4) . .
C17 C12 C18 C19 -133.6(4) . .
C13 C12 C18 C19 50.7(6) . .
C12 C18 C19 O2 -151.7(4) . .
C12 C18 C19 O1 32.0(6) . .
C13 C14 C20 C21 98.7(5) . .
C15 C14 C20 C21 -78.8(6) . .
C14 C20 C21 O3 -157.9(4) . .
C14 C20 C21 O4 25.1(6) . .
C14 C20 C21 Zn1 85(2) . 1_455
C15 C16 C22 C23 -109.8(5) . .
C17 C16 C22 C23 72.9(6) . .
C16 C22 C23 O5 -11.0(7) . .
C16 C22 C23 O6 170.7(4) . .
N2 C7 N1 C6 0.6(5) . .
N2 C7 N1 Zn2 165.4(3) . 1_566
C5 C6 N1 C7 -0.1(7) . .
C5 C6 N1 Zn2 -164.4(4) . 1_566
N1 C7 N2 C5 -0.9(5) . .
N1 C7 N2 C4 -170.5(3) . .
C6 C5 N2 C7 0.7(6) . .
C6 C5 N2 C4 170.3(4) . .
C1 C4 N2 C7 86.0(5) . .
C1 C4 N2 C5 -81.8(6) . .
N4 C11 N3 C10 -0.4(4) . .
N4 C11 N3 Zn1 -163.2(3) . .
C9 C10 N3 C11 0.4(5) . .
C9 C10 N3 Zn1 162.8(3) . .
N3 C11 N4 C9 0.3(4) . .
N3 C11 N4 C8 178.9(3) . .
C10 C9 N4 C11 0.0(5) . .
C10 C9 N4 C8 -178.6(3) . .
C2 C8 N4 C11 99.2(4) . .
C2 C8 N4 C9 -82.4(5) . .
O2 C19 O1 Zn1 11.9(6) . .
C18 C19 O1 Zn1 -172.1(3) . .
O1 C19 O2 Zn2 -20.0(7) . .
C18 C19 O2 Zn2 164.0(3) . .
O4 C21 O3 Zn1 5.8(4) . 1_455
C20 C21 O3 Zn1 -171.2(4) . 1_455
O3 C21 O4 Zn1 -6.4(4) . 1_455
C20 C21 O4 Zn1 170.5(4) . 1_455
O5 C23 O6 Zn2 11.7(6) . 1_556
C22 C23 O6 Zn2 -170.0(3) . 1_556
Zn2 O7 Zn1 N3 -148.02(15) . .
Zn2 O7 Zn1 O1 -45.41(18) . .
Zn2 O7 Zn1 O4 61.9(2) . 1_655
Zn2 O7 Zn1 O3 117.41(17) . 1_655
Zn2 O7 Zn1 C21 93.06(19) . 1_655
C11 N3 Zn1 O7 -98.2(3) . .
C10 N3 Zn1 O7 102.6(4) . .
C11 N3 Zn1 O1 158.5(3) . .
C10 N3 Zn1 O1 -0.6(4) . .
C11 N3 Zn1 O4 56.0(3) . 1_655
C10 N3 Zn1 O4 -103.2(4) . 1_655
C11 N3 Zn1 O3 -2.8(3) . 1_655
C10 N3 Zn1 O3 -162.0(4) . 1_655
C11 N3 Zn1 C21 26.4(3) . 1_655
C10 N3 Zn1 C21 -132.8(4) . 1_655
C19 O1 Zn1 O7 21.7(4) . .
C19 O1 Zn1 N3 155.0(3) . .
C19 O1 Zn1 O4 -102.0(3) . 1_655
C19 O1 Zn1 O3 -97.0(5) . 1_655
C19 O1 Zn1 C21 -103.0(4) . 1_655
Zn1 O7 Zn2 O6 152.52(15) . 1_554
Zn1 O7 Zn2 O2 42.6(2) . .
Zn1 O7 Zn2 N1 -72.7(2) . 1_544
C19 O2 Zn2 O7 -8.5(5) . .
C19 O2 Zn2 O6 -127.2(4) . 1_554
C19 O2 Zn2 N1 113.1(4) . 1_544
