#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214955.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_7214955
loop_
_publ_author_name
'Gao, Jia-Zhen'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Ten new coordination polymers based on
 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different
 N-donor ligands: syntheses, structures, and photoluminescent properties
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              8173
_journal_paper_doi               10.1039/c2ce25953b
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C18 H19 N4 O7.50 Zn'
_chemical_formula_sum            'C18 H19 N4 O7.5 Zn'
_chemical_formula_weight         476.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 128.355(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.951(3)
_cell_length_b                   7.6653(3)
_cell_length_c                   21.991(4)
_cell_measurement_reflns_used    1617
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0834
_cell_measurement_theta_min      2.7990
_cell_volume                     3827.0(13)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7966
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.8668
_exptl_absorpt_correction_T_min  0.8453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0270P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                2358
_reflns_number_total             3365
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce25953b.txt
_cod_data_source_block           Compound-4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3826.9(13)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C18 H19 N4 O7.50 Zn'
_cod_database_code               7214955
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 0.09682(2) 1.02688(5) 0.51108(3) 0.03283(16) Uani 1 1 d .
C14 C 0.13909(19) 1.0873(5) 0.6750(3) 0.0348(10) Uani 1 1 d .
C12 C 0.20107(17) 1.1191(4) 0.7034(2) 0.0287(9) Uani 1 1 d .
C11 C 0.24645(19) 1.1164(5) 0.7813(2) 0.0368(10) Uani 1 1 d .
H11 H 0.2383 1.0922 0.8152 0.044 Uiso 1 1 calc R
C10 C 0.3047(2) 1.1489(5) 0.8117(2) 0.0406(11) Uani 1 1 d .
H10 H 0.3351 1.1446 0.8649 0.049 Uiso 1 1 calc R
C9 C 0.31552(19) 1.1866(5) 0.7617(2) 0.0398(11) Uani 1 1 d .
H9 H 0.3539 1.2101 0.7810 0.048 Uiso 1 1 calc R
C13 C 0.21338(17) 1.1571(4) 0.6507(2) 0.0269(9) Uani 1 1 d .
C8 C 0.28598(17) 1.2379(4) 0.6327(2) 0.0334(10) Uani 1 1 d .
H8B H 0.3186 1.3195 0.6598 0.040 Uiso 1 1 calc R
H8A H 0.2524 1.2974 0.5875 0.040 Uiso 1 1 calc R
C5 C 0.30223(16) 1.0852(4) 0.6055(2) 0.0270(9) Uani 1 1 d .
C4 C 0.29763(17) 0.9138(4) 0.6199(2) 0.0330(10) Uani 1 1 d .
H4 H 0.2817 0.8879 0.6448 0.040 Uiso 1 1 calc R
C17 C -0.05690(18) 1.5218(5) 0.2918(2) 0.0445(11) Uani 1 1 d .
H17A H -0.0832 1.5852 0.2971 0.053 Uiso 1 1 calc R
H17B H -0.0800 1.4362 0.2509 0.053 Uiso 1 1 calc R
C6 C 0.32366(18) 1.1200(5) 0.5657(2) 0.0354(10) Uani 1 1 d .
H6 H 0.3264 1.2350 0.5548 0.042 Uiso 1 1 calc R
C7 C 0.34108(18) 0.9881(5) 0.5420(2) 0.0352(10) Uani 1 1 d .
H7 H 0.3547 1.0144 0.5144 0.042 Uiso 1 1 calc R
C2 C 0.33853(16) 0.8156(4) 0.5589(2) 0.0282(9) Uani 1 1 d .
C3 C 0.31644(18) 0.7794(5) 0.5978(2) 0.0344(10) Uani 1 1 d .
H3 H 0.3141 0.6645 0.6093 0.041 Uiso 1 1 calc R
C1 C 0.36245(17) 0.6740(5) 0.5386(2) 0.0321(9) Uani 1 1 d .
C15 C 0.01154(18) 1.2758(5) 0.3774(2) 0.0387(11) Uani 1 1 d .
H17 H 0.0019 1.1969 0.3390 0.046 Uiso 1 1 calc R
C16 C 0.04984(19) 1.3961(5) 0.4841(2) 0.0386(11) Uani 1 1 d .
H18 H 0.0736 1.4146 0.5373 0.046 Uiso 1 1 calc R
C18 C -0.0293(2) 1.6465(5) 0.2701(2) 0.0481(12) Uani 1 1 d .
H19A H -0.0593 1.7181 0.2265 0.058 Uiso 1 1 calc R
H19B H -0.0016 1.7223 0.3134 0.058 Uiso 1 1 calc R
N1 N 0.27154(14) 1.1909(4) 0.68387(18) 0.0282(7) Uani 1 1 d .
N2 N 0.05085(14) 1.2472(4) 0.45253(18) 0.0323(8) Uani 1 1 d .
N3 N -0.01232(14) 1.4329(4) 0.36431(18) 0.0353(8) Uani 1 1 d .
N4 N 0.01245(16) 1.5129(4) 0.4332(2) 0.0431(9) Uani 1 1 d .
O5 O 0.13144(14) 1.1004(4) 0.72413(18) 0.0610(9) Uani 1 1 d .
O4 O 0.09898(12) 1.0481(3) 0.60488(16) 0.0402(7) Uani 1 1 d .
O1W O 0.07836(13) 0.9119(3) 0.77556(17) 0.0561(9) Uani 1 1 d .
H1A H 0.0902 0.9534 0.8212 0.084 Uiso 1 1 d R
H1B H 0.0877 0.9901 0.7547 0.084 Uiso 1 1 d R
O3 O 0.17687(12) 1.1658(3) 0.57884(15) 0.0373(7) Uani 1 1 d .
O2W O 0.01601(11) 0.8890(3) 0.44895(17) 0.0505(8) Uani 1 1 d .
H2A H -0.0200 0.9252 0.4301 0.076 Uiso 1 1 d R
H2B H 0.0147 0.7729 0.4453 0.076 Uiso 1 1 d R
O1 O 0.36494(12) 0.7002(3) 0.48379(15) 0.0383(7) Uani 1 1 d .
O2 O 0.38123(13) 0.5353(3) 0.57632(16) 0.0446(8) Uani 1 1 d .
O6 O 0.0000 1.5454(5) 0.2500 0.0466(11) Uani 1 2 d S
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 O4 109.91(11) 7_566 .
O1 Zn1 N2 150.02(12) 7_566 .
O4 Zn1 N2 99.89(12) . .
O1 Zn1 O3 94.10(11) 7_566 .
O4 Zn1 O3 85.08(11) . .
N2 Zn1 O3 91.64(12) . .
O1 Zn1 O2W 87.36(10) 7_566 .
O4 Zn1 O2W 91.18(12) . .
N2 Zn1 O2W 88.79(11) . .
O3 Zn1 O2W 176.25(11) . .
O1 Zn1 O2 58.08(9) 7_566 7_566
O4 Zn1 O2 165.00(10) . 7_566
N2 Zn1 O2 92.97(11) . 7_566
O3 Zn1 O2 86.87(10) . 7_566
O2W Zn1 O2 96.82(11) . 7_566
O1 Zn1 C1 29.25(11) 7_566 7_566
O4 Zn1 C1 138.56(12) . 7_566
N2 Zn1 C1 121.45(13) . 7_566
O3 Zn1 C1 90.58(11) . 7_566
O2W Zn1 C1 92.37(11) . 7_566
O2 Zn1 C1 28.82(10) 7_566 7_566
O5 C14 O4 124.0(4) . .
O5 C14 C12 115.9(4) . .
O4 C14 C12 120.1(4) . .
C11 C12 C13 119.1(4) . .
C11 C12 C14 119.2(4) . .
C13 C12 C14 121.6(3) . .
C12 C11 C10 122.3(4) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C9 C10 C11 118.0(4) . .
C9 C10 H10 121.0 . .
C11 C10 H10 121.0 . .
C10 C9 N1 121.5(4) . .
C10 C9 H9 119.2 . .
N1 C9 H9 119.2 . .
O3 C13 N1 117.2(3) . .
O3 C13 C12 126.5(4) . .
N1 C13 C12 116.3(3) . .
N1 C8 C5 114.7(3) . .
N1 C8 H8B 108.6 . .
C5 C8 H8B 108.6 . .
N1 C8 H8A 108.6 . .
C5 C8 H8A 108.6 . .
H8B C8 H8A 107.6 . .
C6 C5 C4 118.5(3) . .
C6 C5 C8 118.2(3) . .
C4 C5 C8 123.2(3) . .
C5 C4 C3 120.9(4) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
N3 C17 C18 111.2(3) . .
N3 C17 H17A 109.4 . .
C18 C17 H17A 109.4 . .
N3 C17 H17B 109.4 . .
C18 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C7 C6 C5 121.1(3) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C6 C7 C2 120.6(4) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
C3 C2 C7 118.7(3) . .
C3 C2 C1 121.2(3) . .
C7 C2 C1 120.1(3) . .
C2 C3 C4 120.2(3) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
O2 C1 O1 120.6(3) . .
O2 C1 C2 120.8(4) . .
O1 C1 C2 118.6(3) . .
O2 C1 Zn1 69.2(2) . 7_566
O1 C1 Zn1 51.40(18) . 7_566
C2 C1 Zn1 169.8(3) . 7_566
N2 C15 N3 110.6(3) . .
N2 C15 H17 124.7 . .
N3 C15 H17 124.7 . .
N4 C16 N2 114.1(4) . .
N4 C16 H18 122.9 . .
N2 C16 H18 122.9 . .
O6 C18 C17 107.0(3) . .
O6 C18 H19A 110.3 . .
C17 C18 H19A 110.3 . .
O6 C18 H19B 110.3 . .
C17 C18 H19B 110.3 . .
H19A C18 H19B 108.6 . .
C9 N1 C13 122.8(3) . .
C9 N1 C8 118.8(3) . .
C13 N1 C8 118.3(3) . .
C15 N2 C16 103.1(3) . .
C15 N2 Zn1 130.3(3) . .
C16 N2 Zn1 126.3(3) . .
C15 N3 N4 108.9(3) . .
C15 N3 C17 130.6(3) . .
N4 N3 C17 120.5(3) . .
C16 N4 N3 103.3(3) . .
C14 O4 Zn1 133.2(3) . .
H1A O1W H1B 108.1 . .
C13 O3 Zn1 124.5(2) . .
Zn1 O2W H2A 130.3 . .
Zn1 O2W H2B 121.6 . .
H2A O2W H2B 107.2 . .
C1 O1 Zn1 99.3(2) . 7_566
C1 O2 Zn1 82.0(2) . 7_566
C18 O6 C18 113.1(4) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.028(2) 7_566
Zn1 O4 2.031(3) .
Zn1 N2 2.038(3) .
Zn1 O3 2.107(3) .
Zn1 O2W 2.119(3) .
Zn1 O2 2.417(3) 7_566
Zn1 C1 2.561(4) 7_566
C14 O5 1.235(5) .
C14 O4 1.262(5) .
C14 C12 1.509(5) .
C12 C11 1.366(5) .
C12 C13 1.438(5) .
C11 C10 1.397(6) .
C11 H11 0.9300 .
C10 C9 1.348(6) .
C10 H10 0.9300 .
C9 N1 1.360(5) .
C9 H9 0.9300 .
C13 O3 1.243(4) .
C13 N1 1.382(5) .
C8 N1 1.468(5) .
C8 C5 1.516(5) .
C8 H8B 0.9700 .
C8 H8A 0.9700 .
C5 C6 1.376(5) .
C5 C4 1.377(5) .
C4 C3 1.387(5) .
C4 H4 0.9300 .
C17 N3 1.456(5) .
C17 C18 1.502(6) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C6 C7 1.369(5) .
C6 H6 0.9300 .
C7 C2 1.387(5) .
C7 H7 0.9300 .
C2 C3 1.379(5) .
C2 C1 1.496(5) .
C3 H3 0.9300 .
C1 O2 1.247(4) .
C1 O1 1.268(4) .
C1 Zn1 2.561(4) 7_566
C15 N2 1.318(5) .
C15 N3 1.328(5) .
C15 H17 0.9300 .
C16 N4 1.312(5) .
C16 N2 1.345(4) .
C16 H18 0.9300 .
C18 O6 1.407(4) .
C18 H19A 0.9700 .
C18 H19B 0.9700 .
N3 N4 1.355(4) .
O1W H1A 0.8936 .
O1W H1B 0.8933 .
O2W H2A 0.8937 .
O2W H2B 0.8922 .
O1 Zn1 2.028(2) 7_566
O2 Zn1 2.417(3) 7_566
O6 C18 1.407(4) 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
O1W H1A O2 0.89 1.96 2.854(4) 177.3 4_556
O1W H1B O5 0.89 1.96 2.808(4) 159.1 .
O2W H2A O4 0.89 1.92 2.797(4) 167.4 5_576
O2W H2B N4 0.89 2.01 2.898(4) 177.1 1_545
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 C14 C12 C11 16.2(5) . .
O4 C14 C12 C11 -163.1(3) . .
O5 C14 C12 C13 -162.1(3) . .
O4 C14 C12 C13 18.6(5) . .
C13 C12 C11 C10 -0.2(6) . .
C14 C12 C11 C10 -178.5(3) . .
C12 C11 C10 C9 1.1(6) . .
C11 C10 C9 N1 -0.9(6) . .
C11 C12 C13 O3 -179.3(3) . .
C14 C12 C13 O3 -1.0(6) . .
C11 C12 C13 N1 -0.8(5) . .
C14 C12 C13 N1 177.4(3) . .
N1 C8 C5 C6 -171.7(3) . .
N1 C8 C5 C4 7.0(5) . .
C6 C5 C4 C3 2.7(6) . .
C8 C5 C4 C3 -176.1(4) . .
C4 C5 C6 C7 -1.1(6) . .
C8 C5 C6 C7 177.7(4) . .
C5 C6 C7 C2 -1.2(6) . .
C6 C7 C2 C3 2.0(6) . .
C6 C7 C2 C1 -174.8(4) . .
C7 C2 C3 C4 -0.4(6) . .
C1 C2 C3 C4 176.3(4) . .
C5 C4 C3 C2 -1.9(6) . .
C3 C2 C1 O2 -24.0(6) . .
C7 C2 C1 O2 152.7(4) . .
C3 C2 C1 O1 158.2(4) . .
C7 C2 C1 O1 -25.2(5) . .
C3 C2 C1 Zn1 168.5(13) . 7_566
C7 C2 C1 Zn1 -14.8(17) . 7_566
N3 C17 C18 O6 69.1(4) . .
C10 C9 N1 C13 -0.1(6) . .
C10 C9 N1 C8 178.2(3) . .
O3 C13 N1 C9 179.6(3) . .
C12 C13 N1 C9 1.0(5) . .
O3 C13 N1 C8 1.2(5) . .
C12 C13 N1 C8 -177.4(3) . .
C5 C8 N1 C9 89.9(4) . .
C5 C8 N1 C13 -91.7(4) . .
N3 C15 N2 C16 -0.5(4) . .
N3 C15 N2 Zn1 173.3(3) . .
N4 C16 N2 C15 0.2(5) . .
N4 C16 N2 Zn1 -174.0(3) . .
O1 Zn1 N2 C15 29.8(5) 7_566 .
O4 Zn1 N2 C15 -143.8(4) . .
O3 Zn1 N2 C15 130.9(4) . .
O2W Zn1 N2 C15 -52.8(4) . .
O2 Zn1 N2 C15 43.9(4) 7_566 .
C1 Zn1 N2 C15 39.2(4) 7_566 .
O1 Zn1 N2 C16 -157.7(3) 7_566 .
O4 Zn1 N2 C16 28.7(3) . .
O3 Zn1 N2 C16 -56.6(3) . .
O2W Zn1 N2 C16 119.7(3) . .
O2 Zn1 N2 C16 -143.5(3) 7_566 .
C1 Zn1 N2 C16 -148.2(3) 7_566 .
N2 C15 N3 N4 0.7(5) . .
N2 C15 N3 C17 179.7(4) . .
C18 C17 N3 C15 -98.4(5) . .
C18 C17 N3 N4 80.5(5) . .
N2 C16 N4 N3 0.2(5) . .
C15 N3 N4 C16 -0.5(4) . .
C17 N3 N4 C16 -179.7(4) . .
O5 C14 O4 Zn1 177.0(3) . .
C12 C14 O4 Zn1 -3.8(5) . .
O1 Zn1 O4 C14 77.0(3) 7_566 .
N2 Zn1 O4 C14 -106.4(3) . .
O3 Zn1 O4 C14 -15.5(3) . .
O2W Zn1 O4 C14 164.7(3) . .
O2 Zn1 O4 C14 42.3(6) 7_566 .
C1 Zn1 O4 C14 69.7(4) 7_566 .
N1 C13 O3 Zn1 153.2(2) . .
C12 C13 O3 Zn1 -28.3(5) . .
O1 Zn1 O3 C13 -78.7(3) 7_566 .
O4 Zn1 O3 C13 31.0(3) . .
N2 Zn1 O3 C13 130.8(3) . .
O2W Zn1 O3 C13 34.2(17) . .
O2 Zn1 O3 C13 -136.3(3) 7_566 .
C1 Zn1 O3 C13 -107.7(3) 7_566 .
O2 C1 O1 Zn1 -0.2(4) . 7_566
C2 C1 O1 Zn1 177.7(3) . 7_566
O1 C1 O2 Zn1 0.2(4) . 7_566
C2 C1 O2 Zn1 -177.6(3) . 7_566
C17 C18 O6 C18 -178.6(4) . 2
