#------------------------------------------------------------------------------
#$Date: 2019-11-23 10:37:18 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/83/4348390.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_4348390
loop_
_publ_author_name
'Wang, Xiuli'
'Le, Mao'
'Lin, Hong-Yan'
'Luan, Jian'
'Liu, Guo-Cheng'
'Sui, Fang-Fang'
'Chang, Zhi-Han'
_publ_section_title
;
 Assembly, structures, photophysical properties and photocatalytic
 activities of a series of coordination polymers constructed from
 semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              373
_journal_paper_doi               10.1039/C4QI00218K
_journal_volume                  2
_journal_year                    2015
_chemical_formula_sum            'C31 H24 N4 O10 Zn'
_chemical_formula_weight         677.91
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-05-25 deposited with the CCDC.
2015-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.2150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.781(2)
_cell_length_b                   10.0395(8)
_cell_length_c                   22.2588(17)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.55
_cell_volume                     5862.3(8)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14524
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.573
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0329
_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)+(0.0529P)²+5.8748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                4363
_reflns_number_total             5161
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4qi00218k2.cif
_cod_data_source_block           lm-4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        5862.4(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4348390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.101420(9) -0.00636(2) -0.113162(11) 0.02316(10) Uani 1 1 d .
O1 O 0.10458(8) 0.24623(18) -0.09013(9) 0.0484(5) Uani 1 1 d .
N1 N 0.17907(7) 0.00745(18) -0.07535(9) 0.0280(4) Uani 1 1 d .
C1 C 0.20581(10) 0.0831(3) -0.10217(13) 0.0459(7) Uani 1 1 d .
H1A H 0.1891 0.1236 -0.1410 0.055 Uiso 1 1 calc R
O1W O -0.04894(7) 0.4109(2) -0.50076(8) 0.0521(5) Uani 1 1 d .
H1WA H -0.0598 0.4090 -0.4692 0.063 Uiso 1 1 d R
H1WB H -0.0552 0.4878 -0.5174 0.063 Uiso 1 1 d R
O2 O 0.08092(7) 0.13316(16) -0.17952(8) 0.0402(4) Uani 1 1 d .
N2 N 0.07799(7) -0.02955(19) -0.03686(9) 0.0272(4) Uani 1 1 d .
C2 C 0.25700(11) 0.1027(4) -0.07423(15) 0.0735(12) Uani 1 1 d .
H2A H 0.2751 0.1528 -0.0947 0.088 Uiso 1 1 calc R
O2W O 0.05031(15) -0.0278(3) -0.29376(13) 0.1038(12) Uani 1 1 d .
H2WA H 0.0658 0.0206 -0.2619 0.125 Uiso 1 1 d R
H2WB H 0.0198 -0.0378 -0.2941 0.125 Uiso 1 1 d R
O3 O 0.01034(7) 0.38702(16) -0.38240(8) 0.0385(4) Uani 1 1 d .
C3 C 0.28149(11) 0.0477(4) -0.01546(15) 0.0667(10) Uani 1 1 d .
H3A H 0.3161 0.0625 0.0048 0.080 Uiso 1 1 calc R
O4 O 0.02641(7) 0.60418(17) -0.38409(8) 0.0423(4) Uani 1 1 d .
C4 C 0.25435(10) -0.0288(3) 0.01277(12) 0.0368(6) Uani 1 1 d .
O5 O 0.07392(6) 0.84048(15) -0.17003(7) 0.0327(4) Uani 1 1 d .
N5 N 0.27722(8) -0.0835(2) 0.07416(9) 0.0390(5) Uani 1 1 d .
H5B H 0.3050 -0.1282 0.0818 0.047 Uiso 1 1 calc R
C5 C 0.20308(9) -0.0491(2) -0.01946(10) 0.0292(5) Uani 1 1 d .
H5A H 0.1847 -0.1044 -0.0014 0.035 Uiso 1 1 calc R
O6 O 0.12930(6) 0.72791(16) -0.09221(7) 0.0350(4) Uani 1 1 d .
N6 N 0.39505(7) -0.3807(2) 0.37760(9) 0.0321(5) Uani 1 1 d .
H6A H 0.4024 -0.4021 0.3442 0.039 Uiso 1 1 calc R
C6 C 0.25698(10) -0.0682(3) 0.12115(12) 0.0454(7) Uani 1 1 d .
C7 C 0.28952(9) -0.1174(3) 0.18564(11) 0.0380(6) Uani 1 1 d .
C8 C 0.30617(9) -0.0247(3) 0.23685(12) 0.0350(6) Uani 1 1 d .
C9 C 0.29763(11) 0.1139(3) 0.22745(14) 0.0492(7) Uani 1 1 d .
H9A H 0.2799 0.1454 0.1869 0.059 Uiso 1 1 calc R
C10 C 0.31444(12) 0.2011(3) 0.27566(16) 0.0559(8) Uani 1 1 d .
H10A H 0.3083 0.2916 0.2682 0.067 Uiso 1 1 calc R
C11 C 0.34139(12) 0.1557(3) 0.33742(14) 0.0505(7) Uani 1 1 d .
H11A H 0.3531 0.2164 0.3706 0.061 Uiso 1 1 calc R
C12 C 0.35036(10) 0.0235(3) 0.34875(13) 0.0396(6) Uani 1 1 d .
H12A H 0.3680 -0.0050 0.3899 0.048 Uiso 1 1 calc R
O13 O 0.21536(9) -0.0190(3) 0.11288(10) 0.0793(9) Uani 1 1 d .
C13 C 0.33336(9) -0.0719(3) 0.29927(11) 0.0307(5) Uani 1 1 d .
O14 O 0.35909(7) -0.22038(18) 0.42020(8) 0.0400(4) Uani 1 1 d .
C14 C 0.34260(9) -0.2127(2) 0.30820(11) 0.0307(5) Uani 1 1 d .
C15 C 0.32651(10) -0.2966(3) 0.25702(12) 0.0391(6) Uani 1 1 d .
H15A H 0.3332 -0.3873 0.2630 0.047 Uiso 1 1 calc R
C16 C 0.30015(10) -0.2492(3) 0.19574(12) 0.0418(6) Uani 1 1 d .
H16A H 0.2899 -0.3085 0.1618 0.050 Uiso 1 1 calc R
C17 C 0.36635(9) -0.2700(2) 0.37358(11) 0.0297(5) Uani 1 1 d .
C18 C 0.41403(9) -0.4643(2) 0.43088(11) 0.0281(5) Uani 1 1 d .
C19 C 0.44416(11) -0.5717(3) 0.42683(12) 0.0418(6) Uani 1 1 d .
H19A H 0.4519 -0.5866 0.3898 0.050 Uiso 1 1 calc R
C20 C 0.46239(12) -0.6556(3) 0.47783(13) 0.0490(7) Uani 1 1 d .
H20A H 0.4824 -0.7283 0.4754 0.059 Uiso 1 1 calc R
C21 C 0.04889(10) -0.1322(2) -0.03231(12) 0.0375(6) Uani 1 1 d .
H21A H 0.0360 -0.1891 -0.0669 0.045 Uiso 1 1 calc R
C22 C 0.09602(9) 0.0532(2) 0.01261(10) 0.0276(5) Uani 1 1 d .
H22A H 0.1160 0.1251 0.0090 0.033 Uiso 1 1 calc R
C23 C 0.08885(9) 0.2424(2) -0.14904(12) 0.0314(5) Uani 1 1 d .
C24 C 0.07951(8) 0.3690(2) -0.18626(10) 0.0251(5) Uani 1 1 d .
C25 C 0.05906(8) 0.3720(2) -0.25250(10) 0.0252(5) Uani 1 1 d .
H25A H 0.0513 0.2928 -0.2753 0.030 Uiso 1 1 calc R
C26 C 0.05023(8) 0.4934(2) -0.28437(10) 0.0230(5) Uani 1 1 d .
C27 C 0.02818(9) 0.5008(2) -0.35479(11) 0.0278(5) Uani 1 1 d .
C28 C 0.06146(8) 0.6115(2) -0.25026(10) 0.0233(5) Uani 1 1 d .
H28A H 0.0551 0.6926 -0.2716 0.028 Uiso 1 1 calc R
C29 C 0.08227(8) 0.6088(2) -0.18427(10) 0.0227(5) Uani 1 1 d .
C30 C 0.09645(8) 0.7332(2) -0.14591(10) 0.0254(5) Uani 1 1 d .
C31 C 0.09111(9) 0.4878(2) -0.15327(11) 0.0247(5) Uani 1 1 d .
H31A H 0.1052 0.4860 -0.1091 0.030 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'
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 O2 96.71(7) 1_545 .
O5 Zn1 N2 106.53(7) 1_545 .
O2 Zn1 N2 127.98(8) . .
O5 Zn1 N1 116.67(7) 1_545 .
O2 Zn1 N1 105.34(7) . .
N2 Zn1 N1 104.45(8) . .
C5 N1 C1 118.7(2) . .
C5 N1 Zn1 119.48(16) . .
C1 N1 Zn1 121.46(16) . .
N1 C1 C2 121.9(2) . .
N1 C1 H1A 119.0 . .
C2 C1 H1A 119.0 . .
H1WA O1W H1WB 107.7 . .
C23 O2 Zn1 104.83(14) . .
C21 N2 C22 119.3(2) . .
C21 N2 Zn1 121.55(16) . .
C22 N2 Zn1 118.87(15) . .
C1 C2 C3 119.3(3) . .
C1 C2 H2A 120.3 . .
C3 C2 H2A 120.3 . .
H2WA O2W H2WB 107.7 . .
C4 C3 C2 119.2(3) . .
C4 C3 H3A 120.4 . .
C2 C3 H3A 120.4 . .
C3 C4 C5 118.3(2) . .
C3 C4 N5 121.5(2) . .
C5 C4 N5 120.2(2) . .
C30 O5 Zn1 110.80(13) . 1_565
C6 N5 C4 122.4(2) . .
C6 N5 H5B 118.8 . .
C4 N5 H5B 118.8 . .
N1 C5 C4 122.4(2) . .
N1 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
C17 N6 C18 126.53(19) . .
C17 N6 H6A 116.7 . .
C18 N6 H6A 116.7 . .
O13 C6 N5 123.2(2) . .
O13 C6 C7 121.4(2) . .
N5 C6 C7 115.4(2) . .
C16 C7 C8 120.5(2) . .
C16 C7 C6 120.4(3) . .
C8 C7 C6 118.9(2) . .
C9 C8 C7 121.9(2) . .
C9 C8 C13 118.7(2) . .
C7 C8 C13 119.4(2) . .
C10 C9 C8 121.7(3) . .
C10 C9 H9A 119.2 . .
C8 C9 H9A 119.2 . .
C9 C10 C11 120.2(3) . .
C9 C10 H10A 119.9 . .
C11 C10 H10A 119.9 . .
C12 C11 C10 120.2(3) . .
C12 C11 H11A 119.9 . .
C10 C11 H11A 119.9 . .
C11 C12 C13 121.5(3) . .
C11 C12 H12A 119.3 . .
C13 C12 H12A 119.3 . .
C12 C13 C8 117.8(2) . .
C12 C13 C14 123.9(2) . .
C8 C13 C14 118.3(2) . .
C15 C14 C13 119.7(2) . .
C15 C14 C17 119.4(2) . .
C13 C14 C17 120.8(2) . .
C14 C15 C16 121.6(3) . .
C14 C15 H15A 119.2 . .
C16 C15 H15A 119.2 . .
C7 C16 C15 120.4(3) . .
C7 C16 H16A 119.8 . .
C15 C16 H16A 119.8 . .
O14 C17 N6 122.3(2) . .
O14 C17 C14 121.5(2) . .
N6 C17 C14 116.1(2) . .
C19 C18 C22 117.7(2) . 4_545
C19 C18 N6 118.4(2) . .
C22 C18 N6 123.9(2) 4_545 .
C20 C19 C18 119.4(2) . .
C20 C19 H19A 120.3 . .
C18 C19 H19A 120.3 . .
C21 C20 C19 119.9(2) 4_545 .
C21 C20 H20A 120.0 4_545 .
C19 C20 H20A 120.0 . .
N2 C21 C20 121.4(2) . 4
N2 C21 H21A 119.3 . .
C20 C21 H21A 119.3 4 .
N2 C22 C18 122.3(2) . 4
N2 C22 H22A 118.8 . .
C18 C22 H22A 118.8 4 .
O1 C23 O2 122.1(2) . .
O1 C23 C24 119.8(2) . .
O2 C23 C24 118.1(2) . .
C31 C24 C25 119.1(2) . .
C31 C24 C23 118.19(19) . .
C25 C24 C23 122.7(2) . .
C26 C25 C24 120.0(2) . .
C26 C25 H25A 120.0 . .
C24 C25 H25A 120.0 . .
C28 C26 C25 120.0(2) . .
C28 C26 C27 118.33(18) . .
C25 C26 C27 121.67(19) . .
O4 C27 O3 123.2(2) . .
O4 C27 C26 122.6(2) . .
O3 C27 C26 114.22(19) . .
C26 C28 C29 120.13(19) . .
C26 C28 H28A 119.9 . .
C29 C28 H28A 119.9 . .
C31 C29 C28 119.30(19) . .
C31 C29 C30 118.79(19) . .
C28 C29 C30 121.90(19) . .
O6 C30 O5 123.1(2) . .
O6 C30 C29 119.11(19) . .
O5 C30 C29 117.83(18) . .
C29 C31 C24 121.5(2) . .
C29 C31 H31A 119.3 . .
C24 C31 H31A 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.9782(15) 1_545
Zn1 O2 1.9785(16) .
Zn1 N2 2.0222(19) .
Zn1 N1 2.046(2) .
O1 C23 1.239(3) .
N1 C5 1.330(3) .
N1 C1 1.333(3) .
C1 C2 1.366(4) .
C1 H1A 0.9300 .
O1W H1WA 0.8501 .
O1W H1WB 0.8500 .
O2 C23 1.270(3) .
N2 C21 1.335(3) .
N2 C22 1.338(3) .
C2 C3 1.376(4) .
C2 H2A 0.9300 .
O2W H2WA 0.8500 .
O2W H2WB 0.8501 .
O3 C27 1.315(3) .
C3 C4 1.366(4) .
C3 H3A 0.9300 .
O4 C27 1.218(3) .
C4 C5 1.383(3) .
C4 N5 1.415(3) .
O5 C30 1.272(3) .
O5 Zn1 1.9783(15) 1_565
N5 C6 1.350(3) .
N5 H5B 0.8600 .
C5 H5A 0.9300 .
O6 C30 1.244(3) .
N6 C17 1.354(3) .
N6 C18 1.406(3) .
N6 H6A 0.8600 .
C6 O13 1.214(3) .
C6 C7 1.506(3) .
C7 C16 1.359(4) .
C7 C8 1.425(4) .
C8 C9 1.416(4) .
C8 C13 1.426(3) .
C9 C10 1.344(4) .
C9 H9A 0.9300 .
C10 C11 1.407(4) .
C10 H10A 0.9300 .
C11 C12 1.358(4) .
C11 H11A 0.9300 .
C12 C13 1.419(4) .
C12 H12A 0.9300 .
C13 C14 1.439(3) .
O14 C17 1.226(3) .
C14 C15 1.368(3) .
C14 C17 1.501(3) .
C15 C16 1.402(3) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C18 C19 1.386(3) .
C18 C22 1.387(3) 4_545
C19 C20 1.370(4) .
C19 H19A 0.9300 .
C20 C21 1.369(4) 4_545
C20 H20A 0.9300 .
C21 C20 1.369(4) 4
C21 H21A 0.9300 .
C22 C18 1.386(3) 4
C22 H22A 0.9300 .
C23 C24 1.493(3) .
C24 C31 1.382(3) .
C24 C25 1.395(3) .
C25 C26 1.390(3) .
C25 H25A 0.9300 .
C26 C28 1.387(3) .
C26 C27 1.485(3) .
C28 C29 1.391(3) .
C28 H28A 0.9300 .
C29 C31 1.379(3) .
C29 C30 1.491(3) .
C31 H31A 0.9300 .
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
O5 Zn1 N1 C5 -91.09(18) 1_545 .
O2 Zn1 N1 C5 163.04(17) . .
N2 Zn1 N1 C5 26.19(19) . .
O5 Zn1 N1 C1 95.8(2) 1_545 .
O2 Zn1 N1 C1 -10.1(2) . .
N2 Zn1 N1 C1 -146.9(2) . .
C5 N1 C1 C2 0.7(4) . .
Zn1 N1 C1 C2 173.9(3) . .
O5 Zn1 O2 C23 170.02(16) 1_545 .
N2 Zn1 O2 C23 52.93(19) . .
N1 Zn1 O2 C23 -69.92(17) . .
O5 Zn1 N2 C21 -1.0(2) 1_545 .
O2 Zn1 N2 C21 111.75(19) . .
N1 Zn1 N2 C21 -125.04(19) . .
O5 Zn1 N2 C22 172.78(17) 1_545 .
O2 Zn1 N2 C22 -74.5(2) . .
N1 Zn1 N2 C22 48.73(19) . .
N1 C1 C2 C3 -2.8(6) . .
C1 C2 C3 C4 2.0(6) . .
C2 C3 C4 C5 0.7(5) . .
C2 C3 C4 N5 -177.6(3) . .
C3 C4 N5 C6 128.4(4) . .
C5 C4 N5 C6 -49.9(4) . .
C1 N1 C5 C4 2.2(4) . .
Zn1 N1 C5 C4 -171.12(19) . .
C3 C4 C5 N1 -2.9(4) . .
N5 C4 C5 N1 175.4(2) . .
C4 N5 C6 O13 7.9(5) . .
C4 N5 C6 C7 -172.4(2) . .
O13 C6 C7 C16 114.2(4) . .
N5 C6 C7 C16 -65.5(4) . .
O13 C6 C7 C8 -61.7(4) . .
N5 C6 C7 C8 118.6(3) . .
C16 C7 C8 C9 177.3(3) . .
C6 C7 C8 C9 -6.8(4) . .
C16 C7 C8 C13 -1.2(4) . .
C6 C7 C8 C13 174.8(2) . .
C7 C8 C9 C10 -178.4(3) . .
C13 C8 C9 C10 0.0(4) . .
C8 C9 C10 C11 0.1(5) . .
C9 C10 C11 C12 -0.3(5) . .
C10 C11 C12 C13 0.4(4) . .
C11 C12 C13 C8 -0.3(4) . .
C11 C12 C13 C14 178.7(3) . .
C9 C8 C13 C12 0.1(3) . .
C7 C8 C13 C12 178.5(2) . .
C9 C8 C13 C14 -179.0(2) . .
C7 C8 C13 C14 -0.5(3) . .
C12 C13 C14 C15 -177.3(2) . .
C8 C13 C14 C15 1.7(3) . .
C12 C13 C14 C17 7.1(4) . .
C8 C13 C14 C17 -173.9(2) . .
C13 C14 C15 C16 -1.3(4) . .
C17 C14 C15 C16 174.4(2) . .
C8 C7 C16 C15 1.7(4) . .
C6 C7 C16 C15 -174.2(2) . .
C14 C15 C16 C7 -0.4(4) . .
C18 N6 C17 O14 9.7(4) . .
C18 N6 C17 C14 -168.8(2) . .
C15 C14 C17 O14 -143.7(3) . .
C13 C14 C17 O14 31.9(3) . .
C15 C14 C17 N6 34.8(3) . .
C13 C14 C17 N6 -149.6(2) . .
C17 N6 C18 C19 -178.1(2) . .
C17 N6 C18 C22 2.6(4) . 4_545
C22 C18 C19 C20 0.3(4) 4_545 .
N6 C18 C19 C20 -179.0(3) . .
C18 C19 C20 C21 -0.5(5) . 4_545
C22 N2 C21 C20 -0.8(4) . 4
Zn1 N2 C21 C20 172.9(2) . 4
C21 N2 C22 C18 0.6(4) . 4
Zn1 N2 C22 C18 -173.27(18) . 4
Zn1 O2 C23 O1 -2.1(3) . .
Zn1 O2 C23 C24 176.89(17) . .
O1 C23 C24 C31 2.9(3) . .
O2 C23 C24 C31 -176.1(2) . .
O1 C23 C24 C25 -176.2(2) . .
O2 C23 C24 C25 4.8(3) . .
C31 C24 C25 C26 -0.5(3) . .
C23 C24 C25 C26 178.6(2) . .
C24 C25 C26 C28 -0.4(3) . .
C24 C25 C26 C27 -179.6(2) . .
C28 C26 C27 O4 10.8(4) . .
C25 C26 C27 O4 -170.0(2) . .
C28 C26 C27 O3 -168.5(2) . .
C25 C26 C27 O3 10.7(3) . .
C25 C26 C28 C29 1.0(3) . .
C27 C26 C28 C29 -179.8(2) . .
C26 C28 C29 C31 -0.6(3) . .
C26 C28 C29 C30 178.0(2) . .
Zn1 O5 C30 O6 3.5(3) 1_565 .
Zn1 O5 C30 C29 -176.77(15) 1_565 .
C31 C29 C30 O6 22.7(3) . .
C28 C29 C30 O6 -156.0(2) . .
C31 C29 C30 O5 -157.1(2) . .
C28 C29 C30 O5 24.2(3) . .
C28 C29 C31 C24 -0.3(3) . .
C30 C29 C31 C24 -179.0(2) . .
C25 C24 C31 C29 0.9(3) . .
C23 C24 C31 C29 -178.3(2) . .
