#------------------------------------------------------------------------------
#$Date: 2019-11-23 10:37:18 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/83/4348395.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_4348395
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 H20 N4 O8 Zn'
_chemical_formula_weight         641.88
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/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                 109.5450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8470(4)
_cell_length_b                   16.2260(5)
_cell_length_c                   14.7859(5)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.93
_cell_volume                     2678.51(15)
_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  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13361
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.981
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         4707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0435P)²+1.5886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                4286
_reflns_number_total             4707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4qi00218k2.cif
_cod_data_source_block           lm-9
_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_sg_symbol_H-M      'P 21/c'
_cod_database_code               4348395
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.261334(18) -0.550576(12) 0.276607(14) 0.01946(8) Uani 1 1 d .
O1 O 0.23505(14) -0.57105(9) 0.39125(10) 0.0326(3) Uani 1 1 d .
N1 N 0.09680(14) -0.48268(10) 0.21092(11) 0.0242(3) Uani 1 1 d .
C1 C 0.00772(18) -0.47799(12) 0.24181(14) 0.0276(4) Uani 1 1 d .
H1A H 0.0211 -0.4937 0.3050 0.033 Uiso 1 1 calc R
O2 O 0.12831(15) -0.68929(11) 0.36653(10) 0.0466(4) Uani 1 1 d .
N2 N -0.99223(17) -0.20493(12) -0.67785(12) 0.0389(5) Uani 1 1 d .
H2B H -1.0298 -0.1918 -0.7366 0.047 Uiso 1 1 calc R
C2 C -0.11381(19) -0.44980(12) 0.18581(14) 0.0288(4) Uani 1 1 d .
H2A H -0.1715 -0.4484 0.2157 0.035 Uiso 1 1 calc R
O3 O 0.23078(13) -0.87698(9) 0.64932(10) 0.0318(3) Uani 1 1 d .
N3 N -0.26574(14) -0.40477(11) 0.02332(12) 0.0288(4) Uani 1 1 d .
H3A H -0.2748 -0.4015 -0.0346 0.035 Uiso 1 1 d R
C3 C -0.14596(17) -0.42554(12) 0.09189(14) 0.0251(4) Uani 1 1 d .
O4 O 0.34867(17) -0.82939(9) 0.79190(10) 0.0450(4) Uani 1 1 d .
N4 N -0.78754(15) -0.25382(11) -0.38755(11) 0.0301(4) Uani 1 1 d .
H4B H -0.7370 -0.2152 -0.3549 0.036 Uiso 1 1 d R
C4 C -0.05054(18) -0.42481(13) 0.06240(14) 0.0310(5) Uani 1 1 d .
H4A H -0.0598 -0.4052 0.0012 0.037 Uiso 1 1 calc R
O5 O 0.65163(12) -0.60134(9) 0.81515(10) 0.0313(3) Uani 1 1 d .
C5 C 0.06694(19) -0.45354(12) 0.12262(14) 0.0292(4) Uani 1 1 d .
H5A H 0.1277 -0.4511 0.0960 0.035 Uiso 1 1 calc R
O6 O 0.58815(12) -0.51310(8) 0.69208(10) 0.0298(3) Uani 1 1 d .
C6 C -0.37233(18) -0.38925(13) 0.03493(14) 0.0287(4) Uani 1 1 d .
O7 O -0.37549(15) -0.39192(11) 0.11182(11) 0.0470(4) Uani 1 1 d .
C7 C -0.48386(17) -0.36891(12) -0.05922(13) 0.0258(4) Uani 1 1 d .
O8 O -0.8640(2) -0.37953(13) -0.37487(15) 0.0750(7) Uani 1 1 d .
C8 C -0.55759(16) -0.29656(12) -0.06983(13) 0.0243(4) Uani 1 1 d .
C9 C -0.53188(18) -0.24102(13) 0.00691(14) 0.0292(4) Uani 1 1 d .
H9A H -0.4693 -0.2503 0.0639 0.035 Uiso 1 1 calc R
C10 C -0.6032(2) -0.17211(14) -0.00567(15) 0.0340(5) Uani 1 1 d .
H10A H -0.5871 -0.1343 0.0443 0.041 Uiso 1 1 calc R
C11 C -0.70517(19) -0.15502(13) -0.09539(15) 0.0326(5) Uani 1 1 d .
H11A H -0.7511 -0.1078 -0.0993 0.039 Uiso 1 1 calc R
C12 C -0.73198(18) -0.20674(13) -0.17088(14) 0.0289(4) Uani 1 1 d .
H12A H -0.7957 -0.1962 -0.2268 0.035 Uiso 1 1 calc R
C13 C -0.65899(16) -0.27844(12) -0.16191(13) 0.0245(4) Uani 1 1 d .
C14 C -0.68364(18) -0.33430(13) -0.23889(14) 0.0295(4) Uani 1 1 d .
C15 C -0.6132(2) -0.40459(14) -0.22439(15) 0.0366(5) Uani 1 1 d .
H15A H -0.6304 -0.4434 -0.2734 0.044 Uiso 1 1 calc R
C16 C -0.51181(19) -0.42131(14) -0.13481(15) 0.0334(5) Uani 1 1 d .
H16A H -0.4665 -0.4689 -0.1305 0.040 Uiso 1 1 calc R
C17 C -0.7884(2) -0.32466(14) -0.33874(15) 0.0372(5) Uani 1 1 d .
C18 C -0.86066(18) -0.23935(13) -0.48494(14) 0.0300(5) Uani 1 1 d .
C19 C -0.96139(19) -0.28907(15) -0.54515(15) 0.0366(5) Uani 1 1 d .
H19A H -0.9842 -0.3355 -0.5186 0.044 Uiso 1 1 calc R
C20 C -1.0244(2) -0.26938(16) -0.64093(15) 0.0398(5) Uani 1 1 d .
H20A H -1.0880 -0.3019 -0.6773 0.048 Uiso 1 1 calc R
C21 C -0.8961(2) -0.15648(14) -0.62199(15) 0.0384(5) Uani 1 1 d .
H21A H -0.8751 -0.1110 -0.6512 0.046 Uiso 1 1 calc R
C22 C -0.8294(2) -0.17125(13) -0.52558(14) 0.0338(5) Uani 1 1 d .
H22A H -0.7673 -0.1367 -0.4911 0.041 Uiso 1 1 calc R
C23 C 0.20800(17) -0.63877(13) 0.41846(13) 0.0274(4) Uani 1 1 d .
C24 C 0.28204(16) -0.65727(11) 0.52385(13) 0.0218(4) Uani 1 1 d .
C25 C 0.38368(16) -0.60775(11) 0.58082(13) 0.0230(4) Uani 1 1 d .
H25A H 0.4011 -0.5602 0.5530 0.028 Uiso 1 1 calc R
C26 C 0.45850(16) -0.62707(11) 0.67644(13) 0.0208(4) Uani 1 1 d .
C27 C 0.57574(17) -0.57754(12) 0.73414(13) 0.0231(4) Uani 1 1 d .
C28 C 0.42922(16) -0.69548(11) 0.71665(13) 0.0218(4) Uani 1 1 d .
H28A H 0.4733 -0.7102 0.7793 0.026 Uiso 1 1 calc R
C29 C 0.32808(16) -0.74558(11) 0.66045(13) 0.0207(4) Uani 1 1 d .
C30 C 0.30144(17) -0.82111(11) 0.70347(13) 0.0233(4) Uani 1 1 d .
C31 C 0.25515(16) -0.72637(11) 0.56399(13) 0.0215(4) Uani 1 1 d .
H31A H 0.1916 -0.7601 0.5301 0.026 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
O1 Zn1 O6 107.09(6) . 3_646
O1 Zn1 O3 132.36(6) . 4_545
O6 Zn1 O3 111.48(6) 3_646 4_545
O1 Zn1 N1 95.74(6) . .
O6 Zn1 N1 116.43(6) 3_646 .
O3 Zn1 N1 91.31(5) 4_545 .
O1 Zn1 O4 87.94(6) . 4_545
O6 Zn1 O4 94.76(6) 3_646 4_545
O3 Zn1 O4 62.39(5) 4_545 4_545
N1 Zn1 O4 145.61(7) . 4_545
O1 Zn1 C30 111.47(6) . 4_545
O6 Zn1 C30 104.66(6) 3_646 4_545
O3 Zn1 C30 32.07(6) 4_545 4_545
N1 Zn1 C30 120.64(6) . 4_545
O4 Zn1 C30 30.32(6) 4_545 4_545
C23 O1 Zn1 126.33(13) . .
C1 N1 C5 110.49(17) . .
C1 N1 Zn1 126.43(13) . .
C5 N1 Zn1 121.92(13) . .
N1 C1 C2 125.68(17) . .
N1 C1 H1A 117.2 . .
C2 C1 H1A 117.2 . .
C20 N2 C21 120.00(18) . .
C20 N2 H2B 120.0 . .
C21 N2 H2B 120.0 . .
C3 C2 C1 123.18(18) . .
C3 C2 H2A 118.4 . .
C1 C2 H2A 118.4 . .
C30 O3 Zn1 87.54(11) . 4_546
C6 N3 C3 132.58(16) . .
C6 N3 H3A 108.4 . .
C3 N3 H3A 119.1 . .
C4 C3 C2 110.71(18) . .
C4 C3 N3 119.63(17) . .
C2 C3 N3 129.61(18) . .
C30 O4 Zn1 87.51(12) . 4_546
C17 N4 C18 124.34(18) . .
C17 N4 H4B 115.5 . .
C18 N4 H4B 120.1 . .
C3 C4 C5 122.41(18) . .
C3 C4 H4A 118.8 . .
C5 C4 H4A 118.8 . .
N1 C5 C4 127.19(18) . .
N1 C5 H5A 116.4 . .
C4 C5 H5A 116.4 . .
C27 O6 Zn1 124.58(13) . 3_646
O7 C6 N3 117.27(19) . .
O7 C6 C7 125.23(18) . .
N3 C6 C7 117.50(16) . .
C16 C7 C8 116.74(18) . .
C16 C7 C6 119.41(18) . .
C8 C7 C6 123.84(17) . .
C9 C8 C7 118.47(17) . .
C9 C8 C13 119.74(17) . .
C7 C8 C13 121.77(17) . .
C10 C9 C8 117.14(19) . .
C10 C9 H9A 121.4 . .
C8 C9 H9A 121.4 . .
C9 C10 C11 123.32(19) . .
C9 C10 H10A 118.3 . .
C11 C10 H10A 118.3 . .
C12 C11 C10 121.18(19) . .
C12 C11 H11A 119.4 . .
C10 C11 H11A 119.4 . .
C11 C12 C13 117.57(18) . .
C11 C12 H12A 121.2 . .
C13 C12 H12A 121.2 . .
C14 C13 C12 119.60(18) . .
C14 C13 C8 119.36(17) . .
C12 C13 C8 121.02(18) . .
C15 C14 C13 116.95(18) . .
C15 C14 C17 117.89(19) . .
C13 C14 C17 125.11(18) . .
C14 C15 C16 123.6(2) . .
C14 C15 H15A 118.2 . .
C16 C15 H15A 118.2 . .
C7 C16 C15 121.51(19) . .
C7 C16 H16A 119.2 . .
C15 C16 H16A 119.2 . .
O8 C17 N4 120.5(2) . .
O8 C17 C14 123.6(2) . .
N4 C17 C14 115.79(18) . .
C22 C18 N4 114.43(19) . .
C22 C18 C19 117.53(19) . .
N4 C18 C19 128.0(2) . .
C20 C19 C18 122.6(2) . .
C20 C19 H19A 118.7 . .
C18 C19 H19A 118.7 . .
N2 C20 C19 118.6(2) . .
N2 C20 H20A 120.7 . .
C19 C20 H20A 120.7 . .
C22 C21 N2 125.0(2) . .
C22 C21 H21A 117.5 . .
N2 C21 H21A 117.5 . .
C18 C22 C21 116.3(2) . .
C18 C22 H22A 121.9 . .
C21 C22 H22A 121.9 . .
O1 C23 O2 125.63(18) . .
O1 C23 C24 112.14(17) . .
O2 C23 C24 122.23(17) . .
C31 C24 C25 118.19(16) . .
C31 C24 C23 117.80(17) . .
C25 C24 C23 123.90(16) . .
C26 C25 C24 124.71(16) . .
C26 C25 H25A 117.6 . .
C24 C25 H25A 117.6 . .
C28 C26 C25 116.58(17) . .
C28 C26 C27 119.03(16) . .
C25 C26 C27 124.27(16) . .
O6 C27 O5 123.34(17) . .
O6 C27 C26 112.59(16) . .
O5 C27 C26 124.06(16) . .
C26 C28 C29 119.24(16) . .
C26 C28 H28A 120.4 . .
C29 C28 H28A 120.4 . .
C31 C29 C28 123.61(16) . .
C31 C29 C30 117.97(16) . .
C28 C29 C30 118.39(16) . .
O4 C30 O3 122.55(17) . .
O4 C30 C29 117.40(17) . .
O3 C30 C29 120.05(16) . .
O4 C30 Zn1 62.17(10) . 4_546
O3 C30 Zn1 60.39(9) . 4_546
C29 C30 Zn1 178.68(13) . 4_546
C24 C31 C29 117.64(16) . .
C24 C31 H31A 121.2 . .
C29 C31 H31A 121.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.8530(13) .
Zn1 O6 1.9771(13) 3_646
Zn1 O3 2.1445(14) 4_545
Zn1 N1 2.1656(16) .
Zn1 O4 2.1814(15) 4_545
Zn1 C30 2.4644(18) 4_545
O1 C23 1.248(2) .
N1 C1 1.285(2) .
N1 C5 1.321(3) .
C1 C2 1.473(3) .
C1 H1A 0.9300 .
O2 C23 1.291(3) .
N2 C20 1.295(3) .
N2 C21 1.403(3) .
N2 H2B 0.8600 .
C2 C3 1.369(3) .
C2 H2A 0.9300 .
O3 C30 1.310(2) .
O3 Zn1 2.1445(14) 4_546
N3 C6 1.354(3) .
N3 C3 1.481(2) .
N3 H3A 0.8284 .
C3 C4 1.341(3) .
O4 C30 1.245(2) .
O4 Zn1 2.1814(15) 4_546
N4 C17 1.359(3) .
N4 C18 1.430(2) .
N4 H4B 0.8896 .
C4 C5 1.455(3) .
C4 H4A 0.9300 .
O5 C27 1.293(2) .
C5 H5A 0.9300 .
O6 C27 1.250(2) .
O6 Zn1 1.9772(13) 3_646
C6 O7 1.151(2) .
C6 C7 1.601(3) .
C7 C16 1.354(3) .
C7 C8 1.440(3) .
O8 C17 1.249(3) .
C8 C9 1.400(3) .
C8 C13 1.513(3) .
C9 C10 1.376(3) .
C9 H9A 0.9300 .
C10 C11 1.491(3) .
C10 H10A 0.9300 .
C11 C12 1.347(3) .
C11 H11A 0.9300 .
C12 C13 1.429(3) .
C12 H12A 0.9300 .
C13 C14 1.407(3) .
C14 C15 1.387(3) .
C14 C17 1.587(3) .
C15 C16 1.485(3) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C18 C22 1.367(3) .
C18 C19 1.469(3) .
C19 C20 1.399(3) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C22 1.400(3) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.541(2) .
C24 C31 1.356(3) .
C24 C25 1.458(3) .
C25 C26 1.430(3) .
C25 H25A 0.9300 .
C26 C28 1.358(3) .
C26 C27 1.584(3) .
C28 C29 1.456(3) .
C28 H28A 0.9300 .
C29 C31 1.433(2) .
C29 C30 1.463(3) .
C30 Zn1 2.4644(18) 4_546
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
O6 Zn1 O1 C23 -132.38(16) 3_646 .
O3 Zn1 O1 C23 10.6(2) 4_545 .
N1 Zn1 O1 C23 107.68(17) . .
O4 Zn1 O1 C23 -38.04(17) 4_545 .
C30 Zn1 O1 C23 -18.47(18) 4_545 .
O1 Zn1 N1 C1 -11.89(18) . .
O6 Zn1 N1 C1 -124.21(17) 3_646 .
O3 Zn1 N1 C1 120.93(17) 4_545 .
O4 Zn1 N1 C1 82.87(19) 4_545 .
C30 Zn1 N1 C1 107.25(17) 4_545 .
O1 Zn1 N1 C5 -178.38(16) . .
O6 Zn1 N1 C5 69.30(17) 3_646 .
O3 Zn1 N1 C5 -45.56(16) 4_545 .
O4 Zn1 N1 C5 -83.62(18) 4_545 .
C30 Zn1 N1 C5 -59.23(17) 4_545 .
C5 N1 C1 C2 4.0(3) . .
Zn1 N1 C1 C2 -163.76(15) . .
N1 C1 C2 C3 0.6(3) . .
C1 C2 C3 C4 -5.1(3) . .
C1 C2 C3 N3 172.44(19) . .
C6 N3 C3 C4 -169.2(2) . .
C6 N3 C3 C2 13.5(4) . .
C2 C3 C4 C5 4.9(3) . .
N3 C3 C4 C5 -172.84(19) . .
C1 N1 C5 C4 -4.2(3) . .
Zn1 N1 C5 C4 164.26(17) . .
C3 C4 C5 N1 -0.5(4) . .
C3 N3 C6 O7 0.0(4) . .
C3 N3 C6 C7 -179.84(18) . .
O7 C6 C7 C16 -127.0(2) . .
N3 C6 C7 C16 52.8(3) . .
O7 C6 C7 C8 53.7(3) . .
N3 C6 C7 C8 -126.5(2) . .
C16 C7 C8 C9 179.74(18) . .
C6 C7 C8 C9 -1.0(3) . .
C16 C7 C8 C13 -1.8(3) . .
C6 C7 C8 C13 177.48(16) . .
C7 C8 C9 C10 179.45(18) . .
C13 C8 C9 C10 1.0(3) . .
C8 C9 C10 C11 0.5(3) . .
C9 C10 C11 C12 -1.0(3) . .
C10 C11 C12 C13 -0.2(3) . .
C11 C12 C13 C14 179.95(18) . .
C11 C12 C13 C8 1.7(3) . .
C9 C8 C13 C14 179.55(18) . .
C7 C8 C13 C14 1.1(3) . .
C9 C8 C13 C12 -2.2(3) . .
C7 C8 C13 C12 179.40(17) . .
C12 C13 C14 C15 -177.15(18) . .
C8 C13 C14 C15 1.1(3) . .
C12 C13 C14 C17 0.3(3) . .
C8 C13 C14 C17 178.64(17) . .
C13 C14 C15 C16 -2.7(3) . .
C17 C14 C15 C16 179.57(19) . .
C8 C7 C16 C15 0.3(3) . .
C6 C7 C16 C15 -179.02(18) . .
C14 C15 C16 C7 2.1(3) . .
C18 N4 C17 O8 -7.1(3) . .
C18 N4 C17 C14 168.86(17) . .
C15 C14 C17 O8 50.3(3) . .
C13 C14 C17 O8 -127.2(3) . .
C15 C14 C17 N4 -125.6(2) . .
C13 C14 C17 N4 56.9(3) . .
C17 N4 C18 C22 -167.9(2) . .
C17 N4 C18 C19 10.8(3) . .
C22 C18 C19 C20 0.4(3) . .
N4 C18 C19 C20 -178.3(2) . .
C21 N2 C20 C19 -0.1(3) . .
C18 C19 C20 N2 0.2(3) . .
C20 N2 C21 C22 -0.7(3) . .
N4 C18 C22 C21 177.83(17) . .
C19 C18 C22 C21 -1.0(3) . .
N2 C21 C22 C18 1.3(3) . .
Zn1 O1 C23 O2 -45.1(3) . .
Zn1 O1 C23 C24 134.60(14) . .
O1 C23 C24 C31 175.43(17) . .
O2 C23 C24 C31 -4.8(3) . .
O1 C23 C24 C25 -8.5(3) . .
O2 C23 C24 C25 171.22(18) . .
C31 C24 C25 C26 0.6(3) . .
C23 C24 C25 C26 -175.48(18) . .
C24 C25 C26 C28 -1.9(3) . .
C24 C25 C26 C27 174.04(16) . .
Zn1 O6 C27 O5 14.5(3) 3_646 .
Zn1 O6 C27 C26 -164.54(11) 3_646 .
C28 C26 C27 O6 -175.58(17) . .
C25 C26 C27 O6 8.6(3) . .
C28 C26 C27 O5 5.4(3) . .
C25 C26 C27 O5 -170.44(18) . .
C25 C26 C28 C29 1.9(3) . .
C27 C26 C28 C29 -174.25(15) . .
C26 C28 C29 C31 -0.8(3) . .
C26 C28 C29 C30 177.19(16) . .
Zn1 O4 C30 O3 1.11(19) 4_546 .
Zn1 O4 C30 C29 -178.59(15) 4_546 .
Zn1 O3 C30 O4 -1.1(2) 4_546 .
Zn1 O3 C30 C29 178.57(15) 4_546 .
C31 C29 C30 O4 -166.38(18) . .
C28 C29 C30 O4 15.5(3) . .
C31 C29 C30 O3 13.9(3) . .
C28 C29 C30 O3 -164.20(16) . .
C31 C29 C30 Zn1 123(6) . 4_546
C28 C29 C30 Zn1 -55(6) . 4_546
C25 C24 C31 C29 0.6(3) . .
C23 C24 C31 C29 176.93(16) . .
C28 C29 C31 C24 -0.5(3) . .
C30 C29 C31 C24 -178.55(16) . .
