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#$Date: 2022-10-26 11:49:07 +0300 (Wed, 26 Oct 2022) $
#$Revision: 278804 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/59/8105979.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_8105979
loop_
_publ_author_name
'Li, Xiao-Fei'
'Ma, Li-Gang'
'Guo, Wen-Feng'
'Zhao, Wen-Feng'
_publ_section_title
;
 Crystal structure of
 diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-κ4O,O′,N,N′)]zinc(II)
 dihydrate, C13H18N4O12Zn
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1203
_journal_page_last               1205
_journal_paper_doi               10.1515/ncrs-2019-0327
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C13 H18 N4 O12 Zn'
_chemical_formula_weight         487.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                109.2790(11)
_cell_angle_beta                 92.6348(12)
_cell_angle_gamma                116.2514(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0311(3)
_cell_length_b                   9.4464(3)
_cell_length_c                   12.6951(5)
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.58
_cell_volume                     892.97(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker D8 VENTURE'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38319
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.578
_diffrn_reflns_theta_min         2.635
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.140
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.7009
_refine_diff_density_max         0.351
_refine_diff_density_min         -0.393
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4132
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0412P)²+0.4002P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0712
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3750
_reflns_number_total             4132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0327_suppl.cif
_cod_data_source_block           exp_I
_cod_original_cell_volume        892.97(5)
_cod_database_code               8105979
_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   0.750
_shelx_estimated_absorpt_t_max   0.822
loop_
_space_group_symop_operation_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_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 0.57628(2) 0.90902(2) 0.72601(2) 0.02455(7) Uani 1 1 d . . . . .
N1 N 0.31469(16) 0.74953(16) 0.69129(11) 0.0203(3) Uani 1 1 d . . . . .
N2 N 0.04000(16) 0.58174(17) 0.65381(11) 0.0217(3) Uani 1 1 d . . . . .
H2A H -0.048496 0.501368 0.652992 0.026 Uiso 1 1 d R U . . .
N3 N 0.70782(17) 0.81796(18) 0.79339(12) 0.0252(3) Uani 1 1 d . . . . .
N4 N 0.82540(18) 0.69593(19) 0.85872(13) 0.0296(3) Uani 1 1 d . . . . .
H4A H 0.838009 0.627546 0.879313 0.036 Uiso 1 1 d R U . . .
O1 O 0.49758(14) 1.03639(15) 0.65041(11) 0.0297(3) Uani 1 1 d . . . . .
O2 O 0.26620(15) 1.02266(17) 0.56788(12) 0.0349(3) Uani 1 1 d . . . . .
O3 O -0.04767(16) 0.83827(19) 0.52744(14) 0.0422(3) Uani 1 1 d . . . . .
H3 H 0.055341 0.897949 0.539652 0.051 Uiso 1 1 calc R U . . .
O4 O -0.22682(14) 0.60709(16) 0.55212(12) 0.0334(3) Uani 1 1 d . . . . .
O5 O 0.84619(16) 1.11732(17) 0.76480(12) 0.0367(3) Uani 1 1 d . . . . .
O6 O 1.10914(17) 1.18466(19) 0.83503(15) 0.0464(4) Uani 1 1 d . . . . .
H6 H 1.156033 1.138806 0.856642 0.056 Uiso 1 1 calc R U . . .
O7 O 1.24592(15) 1.04756(18) 0.90890(12) 0.0357(3) Uani 1 1 d . . . . .
O8 O 1.16830(17) 0.81224(18) 0.94498(12) 0.0370(3) Uani 1 1 d . . . . .
O9 O 0.58474(15) 0.77476(16) 0.55246(10) 0.0290(3) Uani 1 1 d . . . . .
H9A H 0.637104 0.838741 0.517914 0.035 Uiso 1 1 d R U . . .
H9B H 0.636344 0.717931 0.551354 0.035 Uiso 1 1 d R U . . .
O10 O 0.56749(16) 1.07248(19) 0.88742(11) 0.0391(3) Uani 1 1 d . . . . .
H10A H 0.479488 1.075187 0.906511 0.047 Uiso 1 1 d R U . . .
H10B H 0.640678 1.109097 0.947941 0.047 Uiso 1 1 d R U . . .
O11 O 0.71989(17) 0.33836(19) 0.63106(14) 0.0479(4) Uani 1 1 d . . . . .
H11A H 0.653311 0.244873 0.636692 0.057 Uiso 1 1 d R U . . .
H11B H 0.646131 0.330063 0.581912 0.057 Uiso 1 1 d R U . . .
O12 O 0.1587(3) 0.5603(2) 0.08474(18) 0.0699(5) Uani 1 1 d . . . . .
H12A H 0.244207 0.651044 0.087790 0.084 Uiso 1 1 d R U . . .
H12B H 0.105117 0.609324 0.118890 0.084 Uiso 1 1 d R U . . .
C1 C 0.3401(2) 0.9675(2) 0.61680(14) 0.0234(3) Uani 1 1 d . . . . .
C2 C 0.23509(19) 0.8101(2) 0.63776(13) 0.0202(3) Uani 1 1 d . . . . .
C3 C 0.06323(19) 0.7072(2) 0.61392(13) 0.0208(3) Uani 1 1 d . . . . .
C4 C -0.0814(2) 0.7137(2) 0.56176(14) 0.0255(3) Uani 1 1 d . . . . .
C5 C 0.19330(19) 0.6113(2) 0.70014(13) 0.0213(3) Uani 1 1 d D . . . .
C6 C 0.2080(9) 0.5009(9) 0.7564(6) 0.031(2) Uani 0.655(5) 1 d D . P A 1
H6A H 0.185989 0.393255 0.697140 0.037 Uiso 0.655(5) 1 calc R U P A 1
H6B H 0.120415 0.475038 0.799419 0.037 Uiso 0.655(5) 1 calc R U P A 1
C7 C 0.3804(3) 0.5779(3) 0.8377(2) 0.0270(7) Uani 0.655(5) 1 d D . P A 1
H7A H 0.362785 0.537218 0.899347 0.032 Uiso 0.655(5) 1 calc R U P A 1
H7B H 0.430337 0.701813 0.871425 0.032 Uiso 0.655(5) 1 calc R U P A 1
C8 C 0.5045(4) 0.5293(5) 0.7751(4) 0.0351(9) Uani 0.655(5) 1 d D . P A 1
H8A H 0.507353 0.436525 0.790595 0.042 Uiso 0.655(5) 1 calc R U P A 1
H8B H 0.465839 0.490086 0.693072 0.042 Uiso 0.655(5) 1 calc R U P A 1
C6' C 0.2251(18) 0.505(2) 0.7560(14) 0.043(5) Uani 0.345(5) 1 d D . P A 2
H6'A H 0.121810 0.396341 0.735407 0.052 Uiso 0.345(5) 1 calc R U P A 2
H6'B H 0.252321 0.564349 0.838599 0.052 Uiso 0.345(5) 1 calc R U P A 2
C7' C 0.3686(6) 0.4682(6) 0.7213(4) 0.0281(13) Uani 0.345(5) 1 d D . P A 2
H7'A H 0.413089 0.518393 0.666712 0.034 Uiso 0.345(5) 1 calc R U P A 2
H7'B H 0.324474 0.345288 0.684251 0.034 Uiso 0.345(5) 1 calc R U P A 2
C8' C 0.5141(8) 0.5431(12) 0.8271(7) 0.042(2) Uani 0.345(5) 1 d D . P A 2
H8'A H 0.482974 0.593099 0.896325 0.051 Uiso 0.345(5) 1 calc R U P A 2
H8'B H 0.532239 0.452001 0.833208 0.051 Uiso 0.345(5) 1 calc R U P A 2
C9 C 0.6787(2) 0.6814(2) 0.81480(17) 0.0322(4) Uani 1 1 d D . . . .
C10 C 0.9474(2) 1.0842(2) 0.80588(16) 0.0288(4) Uani 1 1 d . . . . .
C11 C 0.88010(19) 0.9217(2) 0.82321(13) 0.0227(3) Uani 1 1 d . . . . .
C12 C 0.9556(2) 0.8476(2) 0.86483(13) 0.0230(3) Uani 1 1 d . . . . .
C13 C 1.1368(2) 0.9047(2) 0.91013(14) 0.0263(3) 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
N3 Zn1 O1 166.40(5) . .
N3 Zn1 N1 111.68(5) . .
O1 Zn1 N1 81.37(5) . .
N3 Zn1 O10 96.19(5) . .
O1 Zn1 O10 87.26(5) . .
N1 Zn1 O10 90.21(5) . .
N3 Zn1 O9 92.03(5) . .
O1 Zn1 O9 83.66(5) . .
N1 Zn1 O9 91.15(5) . .
O10 Zn1 O9 170.50(5) . .
N3 Zn1 O5 77.71(5) . .
O1 Zn1 O5 89.57(5) . .
N1 Zn1 O5 169.81(5) . .
O10 Zn1 O5 84.69(5) . .
O9 Zn1 O5 92.47(5) . .
C5 N1 C2 106.51(12) . .
C5 N1 Zn1 144.93(11) . .
C2 N1 Zn1 108.55(10) . .
C5 N2 C3 108.39(13) . .
C5 N2 H2A 122.3 . .
C3 N2 H2A 129.3 . .
C9 N3 C11 106.36(13) . .
C9 N3 Zn1 139.22(12) . .
C11 N3 Zn1 114.36(11) . .
C9 N4 C12 108.56(14) . .
C9 N4 H4A 127.3 . .
C12 N4 H4A 124.1 . .
C1 O1 Zn1 114.39(10) . .
C4 O3 H3 109.5 . .
C10 O5 Zn1 112.08(12) . .
C10 O6 H6 109.5 . .
Zn1 O9 H9A 115.2 . .
Zn1 O9 H9B 111.5 . .
H9A O9 H9B 104.1 . .
Zn1 O10 H10A 126.1 . .
Zn1 O10 H10B 120.6 . .
H10A O10 H10B 108.5 . .
H11A O11 H11B 94.0 . .
H12A O12 H12B 96.1 . .
O1 C1 O2 124.65(15) . .
O1 C1 C2 116.76(13) . .
O2 C1 C2 118.59(14) . .
C3 C2 N1 109.59(13) . .
C3 C2 C1 131.50(14) . .
N1 C2 C1 118.91(13) . .
C2 C3 N2 105.34(13) . .
C2 C3 C4 133.10(15) . .
N2 C3 C4 121.53(14) . .
O4 C4 O3 121.65(15) . .
O4 C4 C3 120.95(15) . .
O3 C4 C3 117.40(14) . .
N1 C5 N2 110.16(13) . .
N1 C5 C6 129.2(3) . .
N2 C5 C6 120.6(3) . .
N1 C5 C6' 124.2(6) . .
N2 C5 C6' 125.6(6) . .
C5 C6 C7 115.5(5) . .
C5 C6 H6A 108.4 . .
C7 C6 H6A 108.4 . .
C5 C6 H6B 108.4 . .
C7 C6 H6B 108.4 . .
H6A C6 H6B 107.5 . .
C6 C7 C8 112.1(4) . .
C6 C7 H7A 109.2 . .
C8 C7 H7A 109.2 . .
C6 C7 H7B 109.2 . .
C8 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
C9 C8 C7 110.1(3) . .
C9 C8 H8A 109.6 . .
C7 C8 H8A 109.6 . .
C9 C8 H8B 109.6 . .
C7 C8 H8B 109.6 . .
H8A C8 H8B 108.2 . .
C5 C6' C7' 113.4(7) . .
C5 C6' H6'A 108.9 . .
C7' C6' H6'A 108.9 . .
C5 C6' H6'B 108.9 . .
C7' C6' H6'B 108.9 . .
H6'A C6' H6'B 107.7 . .
C6' C7' C8' 111.3(8) . .
C6' C7' H7'A 109.4 . .
C8' C7' H7'A 109.4 . .
C6' C7' H7'B 109.4 . .
C8' C7' H7'B 109.4 . .
H7'A C7' H7'B 108.0 . .
C9 C8' C7' 110.0(5) . .
C9 C8' H8'A 109.7 . .
C7' C8' H8'A 109.7 . .
C9 C8' H8'B 109.7 . .
C7' C8' H8'B 109.7 . .
H8'A C8' H8'B 108.2 . .
N3 C9 N4 110.22(15) . .
N3 C9 C8 120.1(2) . .
N4 C9 C8 129.0(2) . .
N3 C9 C8' 130.4(4) . .
N4 C9 C8' 117.1(3) . .
O5 C10 O6 123.31(17) . .
O5 C10 C11 118.45(15) . .
O6 C10 C11 118.24(15) . .
C12 C11 N3 109.60(14) . .
C12 C11 C10 133.02(15) . .
N3 C11 C10 117.39(14) . .
C11 C12 N4 105.25(14) . .
C11 C12 C13 132.10(16) . .
N4 C12 C13 122.64(15) . .
O8 C13 O7 125.78(16) . .
O8 C13 C12 118.04(16) . .
O7 C13 C12 116.18(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 2.0443(13) .
Zn1 O1 2.0810(11) .
Zn1 N1 2.0886(13) .
Zn1 O10 2.1502(13) .
Zn1 O9 2.1736(12) .
Zn1 O5 2.2501(13) .
N1 C5 1.327(2) .
N1 C2 1.3717(19) .
N2 C5 1.347(2) .
N2 C3 1.375(2) .
N2 H2A 0.8201 .
N3 C9 1.321(2) .
N3 C11 1.370(2) .
N4 C9 1.343(2) .
N4 C12 1.367(2) .
N4 H4A 0.8200 .
O1 C1 1.2534(19) .
O2 C1 1.259(2) .
O3 C4 1.304(2) .
O3 H3 0.8200 .
O4 C4 1.219(2) .
O5 C10 1.234(2) .
O6 C10 1.290(2) .
O6 H6 0.8200 .
O7 C13 1.278(2) .
O8 C13 1.226(2) .
O9 H9A 0.8500 .
O9 H9B 0.8500 .
O10 H10A 0.8501 .
O10 H10B 0.8499 .
O11 H11A 0.8500 .
O11 H11B 0.8500 .
O12 H12A 0.8500 .
O12 H12B 0.8501 .
C1 C2 1.489(2) .
C2 C3 1.369(2) .
C3 C4 1.472(2) .
C5 C6 1.491(6) .
C5 C6' 1.521(8) .
C6 C7 1.540(6) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.548(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.497(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C6' C7' 1.529(9) .
C6' H6'A 0.9700 .
C6' H6'B 0.9700 .
C7' C8' 1.555(7) .
C7' H7'A 0.9700 .
C7' H7'B 0.9700 .
C8' C9 1.542(7) .
C8' H8'A 0.9700 .
C8' H8'B 0.9700 .
C10 C11 1.478(2) .
C11 C12 1.366(2) .
C12 C13 1.492(2) .
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
_geom_hbond_publ_flag
N2 H2A O11 0.82 1.91 2.7077(19) 165.0 1_455 yes
N4 H4A O12 0.82 1.98 2.799(2) 172.8 2_666 yes
O3 H3 O2 0.82 1.68 2.4981(18) 178.6 . yes
O6 H6 O7 0.82 1.67 2.4887(19) 175.9 . yes
O9 H9A O2 0.85 1.92 2.7657(17) 174.4 2_676 yes
O9 H9B O4 0.85 1.94 2.7902(17) 174.8 1_655 yes
O10 H10A O7 0.85 2.01 2.8415(18) 165.5 1_455 yes
O10 H10B O8 0.85 1.83 2.6667(18) 166.5 2_777 yes
O11 H11A O1 0.85 1.92 2.7695(18) 178.1 1_545 yes
O11 H11B O9 0.85 2.23 3.0504(19) 162.5 2_666 yes
O12 H12A O10 0.85 2.30 3.130(2) 165.3 2_676 yes
O12 H12B O5 0.85 2.34 3.035(2) 139.7 2_676 yes
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
Zn1 O1 C1 O2 -179.28(14) . . . .
Zn1 O1 C1 C2 1.16(19) . . . .
C5 N1 C2 C3 0.00(17) . . . .
Zn1 N1 C2 C3 179.87(10) . . . .
C5 N1 C2 C1 179.35(14) . . . .
Zn1 N1 C2 C1 -0.78(17) . . . .
O1 C1 C2 C3 178.94(16) . . . .
O2 C1 C2 C3 -0.7(3) . . . .
O1 C1 C2 N1 -0.2(2) . . . .
O2 C1 C2 N1 -179.83(15) . . . .
N1 C2 C3 N2 -0.27(17) . . . .
C1 C2 C3 N2 -179.50(16) . . . .
N1 C2 C3 C4 177.76(16) . . . .
C1 C2 C3 C4 -1.5(3) . . . .
C5 N2 C3 C2 0.43(17) . . . .
C5 N2 C3 C4 -177.88(14) . . . .
C2 C3 C4 O4 -177.98(17) . . . .
N2 C3 C4 O4 -0.2(2) . . . .
C2 C3 C4 O3 1.5(3) . . . .
N2 C3 C4 O3 179.24(15) . . . .
C2 N1 C5 N2 0.28(18) . . . .
Zn1 N1 C5 N2 -179.52(13) . . . .
C2 N1 C5 C6 -176.6(4) . . . .
Zn1 N1 C5 C6 3.6(5) . . . .
C2 N1 C5 C6' -179.1(8) . . . .
Zn1 N1 C5 C6' 1.1(8) . . . .
C3 N2 C5 N1 -0.45(18) . . . .
C3 N2 C5 C6 176.7(4) . . . .
C3 N2 C5 C6' 178.9(8) . . . .
N1 C5 C6 C7 15.1(7) . . . .
N2 C5 C6 C7 -161.5(3) . . . .
C5 C6 C7 C8 -91.0(5) . . . .
C6 C7 C8 C9 138.4(4) . . . .
N1 C5 C6' C7' -44.3(15) . . . .
N2 C5 C6' C7' 136.4(8) . . . .
C5 C6' C7' C8' 119.4(11) . . . .
C6' C7' C8' C9 -117.2(7) . . . .
C11 N3 C9 N4 1.0(2) . . . .
Zn1 N3 C9 N4 177.96(13) . . . .
C11 N3 C9 C8 -170.6(2) . . . .
Zn1 N3 C9 C8 6.3(3) . . . .
C11 N3 C9 C8' 163.2(5) . . . .
Zn1 N3 C9 C8' -19.9(6) . . . .
C12 N4 C9 N3 -0.8(2) . . . .
C12 N4 C9 C8 169.9(3) . . . .
C12 N4 C9 C8' -165.6(4) . . . .
C7 C8 C9 N3 -65.1(4) . . . .
C7 C8 C9 N4 125.0(3) . . . .
C7' C8' C9 N3 52.1(9) . . . .
C7' C8' C9 N4 -146.7(5) . . . .
Zn1 O5 C10 O6 -179.95(15) . . . .
Zn1 O5 C10 C11 -0.3(2) . . . .
C9 N3 C11 C12 -0.94(19) . . . .
Zn1 N3 C11 C12 -178.73(11) . . . .
C9 N3 C11 C10 179.13(15) . . . .
Zn1 N3 C11 C10 1.34(19) . . . .
O5 C10 C11 C12 179.41(18) . . . .
O6 C10 C11 C12 -0.9(3) . . . .
O5 C10 C11 N3 -0.7(2) . . . .
O6 C10 C11 N3 179.01(16) . . . .
N3 C11 C12 N4 0.49(18) . . . .
C10 C11 C12 N4 -179.60(17) . . . .
N3 C11 C12 C13 -179.18(16) . . . .
C10 C11 C12 C13 0.7(3) . . . .
C9 N4 C12 C11 0.15(19) . . . .
C9 N4 C12 C13 179.86(15) . . . .
C11 C12 C13 O8 178.24(17) . . . .
N4 C12 C13 O8 -1.4(2) . . . .
C11 C12 C13 O7 -1.7(3) . . . .
N4 C12 C13 O7 178.65(15) . . . .
