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#$Date: 2022-12-13 11:11:43 +0200 (Tue, 13 Dec 2022) $
#$Revision: 279867 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/63/8106392.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_8106392
loop_
_publ_author_name
'Niu, Xue L.'
'Yang, Hua'
_publ_section_title
;
 Crystal structure of tetramethylammonium bis(acetato-κ1
 O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5
 O,O′:O′,N:O′′)tetrazinc(II) ---
 N,N′-dimethylformamide --- water (1/2/2), C62H96Zn4N10O28
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1039
_journal_page_last               1041
_journal_paper_doi               10.1515/ncrs-2018-0160
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C62 H96 N10 O28 Zn4'
_chemical_formula_weight         1690.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 102.011(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.1072(11)
_cell_length_b                   27.878(3)
_cell_length_c                   11.4494(9)
_cell_measurement_reflns_used    5016
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.8325
_cell_measurement_theta_min      2.3445
_cell_volume                     3779.9(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18855
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.017
_diffrn_reflns_theta_min         2.345
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_T_max  0.6893
_exptl_absorpt_correction_T_min  0.6030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       block
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         6630
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0416P)²+4.1522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1092
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4732
_reflns_number_total             6630
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0160_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        3779.8(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8106392
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.603
_shelx_estimated_absorpt_t_max   0.689
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.47791(4) 0.10806(2) 0.01684(4) 0.03022(14) Uani 1 1 d . . . . .
Zn2 Zn 0.60193(4) 0.02527(2) 0.18594(4) 0.02994(14) Uani 1 1 d . . . . .
O1 O 0.1971(3) 0.10619(11) 0.4927(3) 0.0593(9) Uani 1 1 d . . . . .
O2 O 0.5393(2) -0.06752(9) 0.2949(3) 0.0420(7) Uani 1 1 d . . . . .
O3 O 0.4660(2) 0.06958(9) 0.1671(2) 0.0306(6) Uani 1 1 d . U . . .
O4 O 0.2989(3) 0.20140(10) 0.1820(3) 0.0574(9) Uani 1 1 d . U . . .
O5 O 0.3961(2) 0.16050(9) 0.0768(3) 0.0427(7) Uani 1 1 d . U . . .
O6 O 0.9488(3) 0.05748(11) -0.2225(3) 0.0521(8) Uani 1 1 d . . . . .
N5 N 0.6568(3) -0.03093(10) 0.0917(3) 0.0290(7) Uani 1 1 d . . . . .
O8 O 0.6141(2) 0.06527(9) 0.0394(2) 0.0343(6) Uani 1 1 d . U . . .
O9 O 0.6971(3) 0.18552(10) -0.1420(3) 0.0530(9) Uani 1 1 d . U . . .
O10 O 0.5605(2) 0.15338(9) -0.0700(3) 0.0426(7) Uani 1 1 d . U . . .
O11 O 0.7417(3) 0.03780(12) 0.3044(3) 0.0590(9) Uani 1 1 d . U . . .
O12 O 0.6606(4) 0.0849(2) 0.4003(5) 0.163(3) Uani 1 1 d . U . . .
O13 O 0.9380(5) 0.18877(19) 0.4226(5) 0.1163(17) Uani 1 1 d . . . . .
O14 O 0.3650(2) 0.07828(9) -0.1178(2) 0.0331(6) Uani 1 1 d . U . . .
O15 O 0.9155(4) 0.21518(19) 0.9170(7) 0.167(3) Uani 1 1 d . . . . .
H15C H 0.8464 0.2071 0.8984 0.200 Uiso 1 1 d R U . . .
H15D H 0.9195 0.2456 0.9180 0.200 Uiso 1 1 d R U . . .
C1 C 0.1674(4) 0.06936(18) 0.5643(4) 0.0575(13) Uani 1 1 d . . . . .
H1A H 0.1337 0.0434 0.5144 0.086 Uiso 1 1 calc R U . . .
H1B H 0.1145 0.0815 0.6089 0.086 Uiso 1 1 calc R U . . .
H1C H 0.2338 0.0581 0.6185 0.086 Uiso 1 1 calc R U . . .
C2 C 0.2634(3) 0.09390(15) 0.4124(4) 0.0398(10) Uani 1 1 d . . . . .
C3 C 0.3180(3) 0.05087(14) 0.4109(4) 0.0365(10) Uani 1 1 d . . . . .
H3 H 0.3101 0.0272 0.4658 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3850(3) 0.04217(13) 0.3281(3) 0.0300(9) Uani 1 1 d . . . . .
C5 C 0.4006(3) 0.07779(13) 0.2443(3) 0.0283(9) Uani 1 1 d . . . . .
C6 C 0.3410(3) 0.12155(13) 0.2453(3) 0.0289(9) Uani 1 1 d . . . . .
C7 C 0.2745(3) 0.12796(14) 0.3294(4) 0.0371(10) Uani 1 1 d . . . . .
H7 H 0.2356 0.1567 0.3293 0.044 Uiso 1 1 calc R U . . .
C8 C 0.4346(3) -0.00567(14) 0.3329(4) 0.0339(10) Uani 1 1 d . . . . .
H8 H 0.4115 -0.0279 0.3835 0.041 Uiso 1 1 calc R U . . .
C9 C 0.3450(3) 0.16362(14) 0.1627(4) 0.0335(9) Uani 1 1 d . . . . .
C10 C 1.0052(4) 0.01379(18) -0.2309(5) 0.0607(14) Uani 1 1 d . . . . .
H10A H 0.9531 -0.0090 -0.2747 0.091 Uiso 1 1 calc R U . . .
H10B H 1.0349 0.0016 -0.1522 0.091 Uiso 1 1 calc R U . . .
H10C H 1.0660 0.0190 -0.2716 0.091 Uiso 1 1 calc R U . . .
C11 C 0.8624(3) 0.05670(15) -0.1603(4) 0.0362(10) Uani 1 1 d . . . . .
C12 C 0.8331(3) 0.01717(14) -0.1020(4) 0.0352(10) Uani 1 1 d . . . . .
H12 H 0.8707 -0.0117 -0.1064 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7480(3) 0.01934(13) -0.0361(3) 0.0297(9) Uani 1 1 d . . . . .
C14 C 0.6900(3) 0.06275(13) -0.0290(3) 0.0281(9) Uani 1 1 d . . . . .
C15 C 0.7155(3) 0.10262(13) -0.0953(3) 0.0312(9) Uani 1 1 d . . . . .
C16 C 0.7197(3) -0.02576(14) 0.0149(3) 0.0314(9) Uani 1 1 d . . . . .
H16 H 0.7501 -0.0535 -0.0106 0.038 Uiso 1 1 calc R U . . .
C17 C 0.8017(3) 0.09860(14) -0.1583(4) 0.0363(10) Uani 1 1 d . . . . .
H17 H 0.8192 0.1251 -0.2005 0.044 Uiso 1 1 calc R U . . .
C18 C 0.6539(3) 0.15006(14) -0.1025(4) 0.0339(10) Uani 1 1 d . . . . .
C19 C 0.8459(5) 0.0693(2) 0.4819(5) 0.088(2) Uani 1 1 d . . . . .
H19A H 0.8398 0.0504 0.5503 0.132 Uiso 1 1 calc R U . . .
H19B H 0.8545 0.1025 0.5043 0.132 Uiso 1 1 calc R U . . .
H19C H 0.9105 0.0590 0.4520 0.132 Uiso 1 1 calc R U . . .
C20 C 0.7412(4) 0.06311(19) 0.3865(5) 0.0546(13) Uani 1 1 d . . . . .
C21 C 0.7993(6) 0.1718(3) 0.2006(7) 0.127(3) Uani 1 1 d . . . . .
H21A H 0.7938 0.1862 0.1235 0.191 Uiso 1 1 calc R U . . .
H21B H 0.7856 0.1956 0.2563 0.191 Uiso 1 1 calc R U . . .
H21C H 0.7441 0.1467 0.1953 0.191 Uiso 1 1 calc R U . . .
C22 C 0.9523(7) 0.1192(3) 0.1621(7) 0.129(3) Uani 1 1 d . . . . .
H22A H 0.9035 0.0918 0.1470 0.193 Uiso 1 1 calc R U . . .
H22B H 1.0271 0.1090 0.1992 0.193 Uiso 1 1 calc R U . . .
H22C H 0.9542 0.1350 0.0880 0.193 Uiso 1 1 calc R U . . .
C23 C 0.9681(6) 0.1615(2) 0.3485(7) 0.094(2) Uani 1 1 d . . . . .
H23 H 1.0379 0.1466 0.3718 0.112 Uiso 1 1 calc R U . . .
C24 C 0.5394(5) 0.15428(18) 0.5636(5) 0.0779(18) Uani 1 1 d . . . . .
H24A H 0.4583 0.1540 0.5435 0.117 Uiso 1 1 calc R U . . .
H24B H 0.5644 0.1505 0.6483 0.117 Uiso 1 1 calc R U . . .
H24C H 0.5681 0.1284 0.5233 0.117 Uiso 1 1 calc R U . . .
C25 C 0.5443(6) 0.2073(2) 0.3962(5) 0.094(2) Uani 1 1 d . . . . .
H25A H 0.5692 0.1807 0.3551 0.141 Uiso 1 1 calc R U . . .
H25B H 0.5761 0.2365 0.3731 0.141 Uiso 1 1 calc R U . . .
H25C H 0.4634 0.2093 0.3759 0.141 Uiso 1 1 calc R U . . .
C26 C 0.7055(5) 0.1995(2) 0.5570(6) 0.089(2) Uani 1 1 d . . . . .
H26A H 0.7304 0.1980 0.6421 0.134 Uiso 1 1 calc R U . . .
H26B H 0.7346 0.2281 0.5276 0.134 Uiso 1 1 calc R U . . .
H26C H 0.7325 0.1719 0.5213 0.134 Uiso 1 1 calc R U . . .
C27 C 0.5420(6) 0.2406(2) 0.5897(6) 0.095(2) Uani 1 1 d . . . . .
H27A H 0.4613 0.2429 0.5668 0.142 Uiso 1 1 calc R U . . .
H27B H 0.5755 0.2698 0.5698 0.142 Uiso 1 1 calc R U . . .
H27C H 0.5635 0.2352 0.6743 0.142 Uiso 1 1 calc R U . . .
C28 C 0.0904(6) 0.2847(3) 0.1926(6) 0.108(3) Uani 1 1 d . . . . .
H28A H 0.0823 0.3063 0.1261 0.162 Uiso 1 1 calc R U . . .
H28B H 0.0190 0.2811 0.2155 0.162 Uiso 1 1 calc R U . . .
H28C H 0.1156 0.2540 0.1702 0.162 Uiso 1 1 calc R U . . .
C29 C 0.2822(5) 0.3149(2) 0.2555(6) 0.092(2) Uani 1 1 d . . . . .
H29A H 0.3058 0.2872 0.2170 0.138 Uiso 1 1 calc R U . . .
H29B H 0.3390 0.3229 0.3245 0.138 Uiso 1 1 calc R U . . .
H29C H 0.2713 0.3414 0.2010 0.138 Uiso 1 1 calc R U . . .
C30 C 0.1301(5) 0.3479(2) 0.3432(6) 0.087(2) Uani 1 1 d . . . . .
H30A H 0.1063 0.3708 0.2805 0.131 Uiso 1 1 calc R U . . .
H30B H 0.1890 0.3615 0.4032 0.131 Uiso 1 1 calc R U . . .
H30C H 0.0673 0.3395 0.3783 0.131 Uiso 1 1 calc R U . . .
C31 C 0.1963(5) 0.26706(19) 0.3883(5) 0.0712(16) Uani 1 1 d . . . . .
H31A H 0.1281 0.2602 0.4153 0.107 Uiso 1 1 calc R U . . .
H31B H 0.2526 0.2787 0.4539 0.107 Uiso 1 1 calc R U . . .
H31C H 0.2232 0.2383 0.3572 0.107 Uiso 1 1 calc R U . . .
N1 N 0.5070(3) -0.01959(11) 0.2736(3) 0.0325(8) Uani 1 1 d . . . . .
N2 N 0.9103(4) 0.15205(19) 0.2405(5) 0.0834(15) Uani 1 1 d . . . . .
N3 N 0.5814(3) 0.20043(13) 0.5262(3) 0.0445(9) Uani 1 1 d . . . . .
N4 N 0.1734(3) 0.30400(13) 0.2931(4) 0.0512(10) 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
O5 Zn1 O10 92.51(11) . .
O5 Zn1 O8 148.86(12) . .
O10 Zn1 O8 87.57(10) . .
O5 Zn1 O14 105.21(11) . .
O10 Zn1 O14 102.13(11) . .
O8 Zn1 O14 105.20(11) . .
O5 Zn1 O3 88.16(10) . .
O10 Zn1 O3 150.95(11) . .
O8 Zn1 O3 77.33(10) . .
O14 Zn1 O3 105.70(10) . .
O11 Zn2 O3 121.77(13) . .
O11 Zn2 O8 105.68(13) . .
O3 Zn2 O8 77.07(10) . .
O11 Zn2 N5 99.73(13) . .
O3 Zn2 N5 137.62(11) . .
O8 Zn2 N5 84.28(11) . .
O11 Zn2 N1 104.80(14) . .
O3 Zn2 N1 84.31(11) . .
O8 Zn2 N1 149.36(12) . .
N5 Zn2 N1 93.71(12) . .
C2 O1 C1 117.4(3) . .
C5 O3 Zn2 128.2(2) . .
C5 O3 Zn1 128.6(2) . .
Zn2 O3 Zn1 102.10(11) . .
C9 O5 Zn1 133.1(3) . .
C11 O6 C10 116.8(3) . .
C16 N5 O14 114.8(3) . 3_655
C16 N5 Zn2 124.5(3) . .
O14 N5 Zn2 120.4(2) 3_655 .
C14 O8 Zn1 127.3(2) . .
C14 O8 Zn2 129.2(2) . .
Zn1 O8 Zn2 103.45(11) . .
C18 O10 Zn1 132.1(3) . .
C20 O11 Zn2 120.7(3) . .
N5 O14 Zn1 110.84(19) 3_655 .
C7 C2 C3 118.7(4) . .
C7 C2 O1 116.3(4) . .
C3 C2 O1 125.0(4) . .
C2 C3 C4 120.8(4) . .
C3 C4 C5 121.1(3) . .
C3 C4 C8 115.3(3) . .
C5 C4 C8 123.6(3) . .
O3 C5 C6 122.0(3) . .
O3 C5 C4 120.8(3) . .
C6 C5 C4 117.1(3) . .
C7 C6 C5 119.1(4) . .
C7 C6 C9 115.6(3) . .
C5 C6 C9 125.3(3) . .
C2 C7 C6 123.1(4) . .
N1 C8 C4 125.5(4) . .
O4 C9 O5 120.6(4) . .
O4 C9 C6 118.4(4) . .
O5 C9 C6 121.0(3) . .
C12 C11 O6 124.2(4) . .
C12 C11 C17 118.6(4) . .
O6 C11 C17 117.2(4) . .
C11 C12 C13 121.4(4) . .
C12 C13 C14 120.0(3) . .
C12 C13 C16 116.1(3) . .
C14 C13 C16 123.8(3) . .
O8 C14 C13 119.6(3) . .
O8 C14 C15 122.0(3) . .
C13 C14 C15 118.4(3) . .
C17 C15 C14 119.0(3) . .
C17 C15 C18 117.2(3) . .
C14 C15 C18 123.8(3) . .
N5 C16 C13 126.4(4) . .
C11 C17 C15 122.4(4) . .
O9 C18 O10 121.1(4) . .
O9 C18 C15 118.3(4) . .
O10 C18 C15 120.6(3) . .
O11 C20 O12 123.7(5) . .
O11 C20 C19 120.4(5) . .
O12 C20 C19 115.9(5) . .
O13 C23 N2 126.0(7) . .
C8 N1 O2 113.3(3) . .
C8 N1 Zn2 125.5(3) . .
O2 N1 Zn2 119.6(2) . .
C23 N2 C21 120.2(6) . .
C23 N2 C22 121.6(6) . .
C21 N2 C22 118.1(6) . .
C27 N3 C26 108.4(4) . .
C27 N3 C25 109.8(5) . .
C26 N3 C25 109.0(5) . .
C27 N3 C24 110.6(4) . .
C26 N3 C24 108.1(4) . .
C25 N3 C24 110.8(4) . .
C28 N4 C31 108.4(5) . .
C28 N4 C30 111.5(5) . .
C31 N4 C30 108.3(4) . .
C28 N4 C29 110.4(5) . .
C31 N4 C29 108.0(4) . .
C30 N4 C29 110.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.968(3) .
Zn1 O10 1.999(3) .
Zn1 O8 2.007(2) .
Zn1 O14 2.014(3) .
Zn1 O3 2.058(2) .
Zn2 O11 1.967(3) .
Zn2 O3 2.033(2) .
Zn2 O8 2.045(3) .
Zn2 N5 2.087(3) .
Zn2 N1 2.091(3) .
O1 C2 1.383(5) .
O1 C1 1.407(5) .
O2 N1 1.399(4) .
O3 C5 1.324(4) .
O4 C9 1.233(5) .
O5 C9 1.270(5) .
O6 C11 1.383(5) .
O6 C10 1.410(5) .
N5 C16 1.286(5) .
N5 O14 1.391(4) 3_655
O8 C14 1.328(4) .
O9 C18 1.246(4) .
O10 C18 1.266(5) .
O11 C20 1.176(6) .
O12 C20 1.188(6) .
O13 C23 1.248(8) .
O14 N5 1.391(4) 3_655
C2 C7 1.370(6) .
C2 C3 1.371(5) .
C3 C4 1.392(5) .
C4 C5 1.420(5) .
C4 C8 1.459(5) .
C5 C6 1.419(5) .
C6 C7 1.389(5) .
C6 C9 1.514(5) .
C8 N1 1.277(5) .
C11 C12 1.373(5) .
C11 C17 1.383(5) .
C12 C13 1.399(5) .
C13 C14 1.410(5) .
C13 C16 1.457(5) .
C14 C15 1.416(5) .
C15 C17 1.391(5) .
C15 C18 1.512(5) .
C19 C20 1.501(7) .
C21 N2 1.436(7) .
C22 N2 1.447(8) .
C23 N2 1.315(8) .
C24 N3 1.479(6) .
C25 N3 1.475(6) .
C26 N3 1.471(6) .
C27 N3 1.467(6) .
C28 N4 1.464(7) .
C29 N4 1.499(6) .
C30 N4 1.491(6) .
C31 N4 1.483(6) .
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
C1 O1 C2 C7 168.7(4) . . . .
C1 O1 C2 C3 -11.6(7) . . . .
C7 C2 C3 C4 1.2(6) . . . .
O1 C2 C3 C4 -178.5(4) . . . .
C2 C3 C4 C5 1.1(6) . . . .
C2 C3 C4 C8 -177.6(4) . . . .
Zn2 O3 C5 C6 153.4(3) . . . .
Zn1 O3 C5 C6 -12.2(5) . . . .
Zn2 O3 C5 C4 -28.3(5) . . . .
Zn1 O3 C5 C4 166.2(2) . . . .
C3 C4 C5 O3 178.8(3) . . . .
C8 C4 C5 O3 -2.5(6) . . . .
C3 C4 C5 C6 -2.7(5) . . . .
C8 C4 C5 C6 175.9(4) . . . .
O3 C5 C6 C7 -179.5(3) . . . .
C4 C5 C6 C7 2.1(5) . . . .
O3 C5 C6 C9 -0.8(6) . . . .
C4 C5 C6 C9 -179.3(3) . . . .
C3 C2 C7 C6 -1.8(7) . . . .
O1 C2 C7 C6 177.9(4) . . . .
C5 C6 C7 C2 0.1(6) . . . .
C9 C6 C7 C2 -178.6(4) . . . .
C3 C4 C8 N1 -172.8(4) . . . .
C5 C4 C8 N1 8.5(6) . . . .
Zn1 O5 C9 O4 -179.7(3) . . . .
Zn1 O5 C9 C6 1.5(6) . . . .
C7 C6 C9 O4 6.6(5) . . . .
C5 C6 C9 O4 -172.1(4) . . . .
C7 C6 C9 O5 -174.6(4) . . . .
C5 C6 C9 O5 6.7(6) . . . .
C10 O6 C11 C12 3.7(6) . . . .
C10 O6 C11 C17 -175.9(4) . . . .
O6 C11 C12 C13 177.1(4) . . . .
C17 C11 C12 C13 -3.4(6) . . . .
C11 C12 C13 C14 0.2(6) . . . .
C11 C12 C13 C16 176.0(4) . . . .
Zn1 O8 C14 C13 -151.7(3) . . . .
Zn2 O8 C14 C13 25.0(5) . . . .
Zn1 O8 C14 C15 28.7(5) . . . .
Zn2 O8 C14 C15 -154.7(3) . . . .
C12 C13 C14 O8 -176.0(3) . . . .
C16 C13 C14 O8 8.5(6) . . . .
C12 C13 C14 C15 3.7(5) . . . .
C16 C13 C14 C15 -171.8(3) . . . .
O8 C14 C15 C17 175.3(3) . . . .
C13 C14 C15 C17 -4.4(5) . . . .
O8 C14 C15 C18 -4.8(6) . . . .
C13 C14 C15 C18 175.5(3) . . . .
O14 N5 C16 C13 174.5(3) 3_655 . . .
Zn2 N5 C16 C13 -11.5(5) . . . .
C12 C13 C16 N5 169.3(4) . . . .
C14 C13 C16 N5 -15.0(6) . . . .
C12 C11 C17 C15 2.7(6) . . . .
O6 C11 C17 C15 -177.8(4) . . . .
C14 C15 C17 C11 1.2(6) . . . .
C18 C15 C17 C11 -178.7(4) . . . .
Zn1 O10 C18 O9 -170.2(3) . . . .
Zn1 O10 C18 C15 10.3(6) . . . .
C17 C15 C18 O9 -14.7(6) . . . .
C14 C15 C18 O9 165.4(4) . . . .
C17 C15 C18 O10 164.8(4) . . . .
C14 C15 C18 O10 -15.1(6) . . . .
Zn2 O11 C20 O12 -4.8(9) . . . .
Zn2 O11 C20 C19 174.9(4) . . . .
C4 C8 N1 O2 -179.5(3) . . . .
C4 C8 N1 Zn2 15.3(6) . . . .
O13 C23 N2 C21 -3.3(11) . . . .
O13 C23 N2 C22 -178.9(8) . . . .
