#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214954.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_7214954
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         'C20 H22 N3 O7 Zn'
_chemical_formula_sum            'C20 H22 N3 O7 Zn'
_chemical_formula_weight         481.78
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.261(5)
_cell_angle_beta                 74.349(5)
_cell_angle_gamma                83.501(5)
_cell_formula_units_Z            2
_cell_length_a                   7.6224(5)
_cell_length_b                   11.3078(6)
_cell_length_c                   13.4989(6)
_cell_measurement_reflns_used    2276
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2141
_cell_measurement_theta_min      2.8744
_cell_volume                     1017.54(11)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0639
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6107
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    1.256
_exptl_absorpt_correction_T_max  0.8847
_exptl_absorpt_correction_T_min  0.7696
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3557
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0555
_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)+(0.0723P)²+0.3521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                2830
_reflns_number_total             3557
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce25953b.txt
_cod_data_source_block           Compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1017.54(10)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7214954
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.34116(7) 0.38360(5) 0.77166(4) 0.0405(2) Uani 1 1 d .
C14 C 0.2705(6) 0.5950(4) 0.8491(4) 0.0384(10) Uani 1 1 d .
C12 C 0.2773(5) 0.4958(4) 0.9650(3) 0.0351(9) Uani 1 1 d .
C11 C 0.2186(6) 0.5338(4) 1.0531(4) 0.0448(11) Uani 1 1 d .
H11 H 0.1706 0.6170 1.0394 0.054 Uiso 1 1 calc R
C10 C 0.2289(7) 0.4512(5) 1.1625(4) 0.0520(13) Uani 1 1 d .
H10 H 0.1883 0.4789 1.2208 0.062 Uiso 1 1 calc R
C9 C 0.2988(6) 0.3305(5) 1.1824(4) 0.0464(11) Uani 1 1 d .
H9 H 0.3084 0.2751 1.2546 0.056 Uiso 1 1 calc R
C13 C 0.3480(5) 0.3665(4) 0.9877(3) 0.0337(9) Uani 1 1 d .
C8 C 0.4208(6) 0.1542(4) 1.1227(4) 0.0412(10) Uani 1 1 d .
H8B H 0.4578 0.1205 1.1929 0.049 Uiso 1 1 calc R
H8A H 0.5267 0.1539 1.0637 0.049 Uiso 1 1 calc R
C5 C 0.2754(6) 0.0659(4) 1.1322(3) 0.0358(9) Uani 1 1 d .
C6 C 0.3273(6) -0.0560(4) 1.1322(4) 0.0398(10) Uani 1 1 d .
H6 H 0.4501 -0.0783 1.1197 0.048 Uiso 1 1 calc R
C7 C 0.1983(6) -0.1448(4) 1.1505(4) 0.0413(10) Uani 1 1 d .
H7 H 0.2346 -0.2263 1.1510 0.050 Uiso 1 1 calc R
C2 C 0.0138(6) -0.1118(4) 1.1683(3) 0.0359(10) Uani 1 1 d .
C3 C -0.0346(6) 0.0115(4) 1.1636(4) 0.0432(11) Uani 1 1 d .
H3 H -0.1565 0.0360 1.1721 0.052 Uiso 1 1 calc R
C4 C 0.0940(6) 0.0994(4) 1.1464(4) 0.0414(10) Uani 1 1 d .
H4 H 0.0578 0.1815 1.1444 0.050 Uiso 1 1 calc R
C1 C -0.1291(6) -0.2085(4) 1.1962(4) 0.0414(10) Uani 1 1 d .
C15 C 0.6502(6) 0.5262(4) 0.5665(4) 0.0451(11) Uani 1 1 d .
H15 H 0.6223 0.6083 0.5668 0.054 Uiso 1 1 calc R
C16 C 0.7857(6) 0.4996(4) 0.4911(4) 0.0478(12) Uani 1 1 d .
H16 H 0.8674 0.5589 0.4307 0.057 Uiso 1 1 calc R
C17 C 0.6421(6) 0.3201(4) 0.6124(4) 0.0425(11) Uani 1 1 d .
H17 H 0.6087 0.2328 0.6497 0.051 Uiso 1 1 calc R
C18 C 0.8989(7) 0.2931(5) 0.4615(4) 0.0507(12) Uani 1 1 d .
H18A H 1.0240 0.3203 0.4431 0.061 Uiso 1 1 calc R
H18B H 0.8663 0.3132 0.3915 0.061 Uiso 1 1 calc R
C19 C 0.8858(7) 0.1474(5) 0.5301(4) 0.0503(12) Uani 1 1 d .
H19A H 0.7608 0.1198 0.5489 0.060 Uiso 1 1 calc R
H19B H 0.9195 0.1268 0.5999 0.060 Uiso 1 1 calc R
C20 C 1.0091(7) 0.0731(5) 0.4669(4) 0.0534(12) Uani 1 1 d .
H20A H 0.9788 0.0966 0.3956 0.064 Uiso 1 1 calc R
H20B H 1.1346 0.0982 0.4509 0.064 Uiso 1 1 calc R
N1 N 0.3553(5) 0.2895(3) 1.0972(3) 0.0362(8) Uani 1 1 d .
N2 N 0.5595(5) 0.4130(3) 0.6432(3) 0.0418(9) Uani 1 1 d .
N3 N 0.7799(5) 0.3673(3) 0.5207(3) 0.0424(9) Uani 1 1 d .
O5 O 0.2454(5) 0.7091(3) 0.8366(3) 0.0580(9) Uani 1 1 d .
O4 O 0.2954(5) 0.5598(3) 0.7679(3) 0.0498(8) Uani 1 1 d .
O1W O 0.6282(7) 0.8664(5) 0.4271(4) 0.1045(15) Uani 1 1 d U
H1B H 0.5984 0.9521 0.3916 0.157 Uiso 1 1 d R
H1A H 0.6548 0.8418 0.3680 0.157 Uiso 1 1 d R
O3 O 0.4059(4) 0.3153(3) 0.9178(2) 0.0413(7) Uani 1 1 d .
O2W O 0.4419(7) 0.8724(5) 0.6312(4) 0.1033(15) Uani 1 1 d U
H2B H 0.4895 0.8252 0.5897 0.155 Uiso 1 1 d R
H2A H 0.3462 0.8260 0.6840 0.155 Uiso 1 1 d R
O2 O -0.2950(4) -0.1796(3) 1.2208(3) 0.0521(8) Uani 1 1 d .
O1 O -0.0835(4) -0.3203(3) 1.1982(3) 0.0494(8) 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
O4 Zn1 O3 92.94(12) . .
O4 Zn1 N2 101.50(14) . .
O3 Zn1 N2 112.34(14) . .
O4 Zn1 O1 101.95(13) . 2_557
O3 Zn1 O1 107.23(13) . 2_557
N2 Zn1 O1 132.32(13) . 2_557
O4 Zn1 O2 161.41(13) . 2_557
O3 Zn1 O2 95.01(12) . 2_557
N2 Zn1 O2 90.96(13) . 2_557
O1 Zn1 O2 59.62(12) 2_557 2_557
O4 Zn1 C1 131.85(15) . 2_557
O3 Zn1 C1 101.13(13) . 2_557
N2 Zn1 C1 114.54(14) . 2_557
O1 Zn1 C1 29.91(14) 2_557 2_557
O2 Zn1 C1 29.79(13) 2_557 2_557
O5 C14 O4 122.6(4) . .
O5 C14 C12 117.2(4) . .
O4 C14 C12 120.2(4) . .
C11 C12 C13 118.4(4) . .
C11 C12 C14 117.8(4) . .
C13 C12 C14 123.8(4) . .
C12 C11 C10 122.0(4) . .
C12 C11 H11 119.0 . .
C10 C11 H11 119.0 . .
C9 C10 C11 118.9(4) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
C10 C9 N1 120.4(4) . .
C10 C9 H9 119.8 . .
N1 C9 H9 119.8 . .
O3 C13 N1 116.1(4) . .
O3 C13 C12 126.9(4) . .
N1 C13 C12 117.0(3) . .
N1 C8 C5 112.0(4) . .
N1 C8 H8B 109.2 . .
C5 C8 H8B 109.2 . .
N1 C8 H8A 109.2 . .
C5 C8 H8A 109.2 . .
H8B C8 H8A 107.9 . .
C4 C5 C6 119.0(4) . .
C4 C5 C8 122.5(4) . .
C6 C5 C8 118.5(4) . .
C7 C6 C5 120.8(4) . .
C7 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C6 C7 C2 120.0(4) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
C3 C2 C7 118.4(4) . .
C3 C2 C1 120.4(4) . .
C7 C2 C1 121.2(4) . .
C4 C3 C2 121.5(4) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C5 C4 C3 120.3(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
O2 C1 O1 120.2(4) . .
O2 C1 C2 119.8(4) . .
O1 C1 C2 120.0(4) . .
O2 C1 Zn1 66.7(2) . 2_557
O1 C1 Zn1 53.7(2) . 2_557
C2 C1 Zn1 172.8(3) . 2_557
C16 C15 N2 109.4(4) . .
C16 C15 H15 125.3 . .
N2 C15 H15 125.3 . .
C15 C16 N3 106.7(4) . .
C15 C16 H16 126.7 . .
N3 C16 H16 126.7 . .
N2 C17 N3 111.6(4) . .
N2 C17 H17 124.2 . .
N3 C17 H17 124.2 . .
N3 C18 C19 112.9(4) . .
N3 C18 H18A 109.0 . .
C19 C18 H18A 109.0 . .
N3 C18 H18B 109.0 . .
C19 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C18 C19 C20 111.8(4) . .
C18 C19 H19A 109.3 . .
C20 C19 H19A 109.3 . .
C18 C19 H19B 109.3 . .
C20 C19 H19B 109.3 . .
H19A C19 H19B 107.9 . .
C20 C20 C19 112.2(5) 2_756 .
C20 C20 H20A 109.2 2_756 .
C19 C20 H20A 109.2 . .
C20 C20 H20B 109.2 2_756 .
C19 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
C9 N1 C13 123.2(4) . .
C9 N1 C8 119.2(4) . .
C13 N1 C8 117.5(3) . .
C17 N2 C15 105.6(4) . .
C17 N2 Zn1 123.9(3) . .
C15 N2 Zn1 130.4(3) . .
C17 N3 C16 106.6(4) . .
C17 N3 C18 126.6(4) . .
C16 N3 C18 126.7(4) . .
C14 O4 Zn1 128.1(3) . .
H1B O1W H1A 100.2 . .
C13 O3 Zn1 122.3(3) . .
H2B O2W H2A 105.4 . .
C1 O2 Zn1 83.5(3) . 2_557
C1 O1 Zn1 96.4(3) . 2_557
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.966(3) .
Zn1 O3 1.974(3) .
Zn1 N2 1.993(4) .
Zn1 O1 2.044(3) 2_557
Zn1 O2 2.328(3) 2_557
Zn1 C1 2.519(4) 2_557
C14 O5 1.229(5) .
C14 O4 1.276(5) .
C14 C12 1.507(6) .
C12 C11 1.378(6) .
C12 C13 1.435(6) .
C11 C10 1.397(7) .
C11 H11 0.9300 .
C10 C9 1.351(7) .
C10 H10 0.9300 .
C9 N1 1.362(6) .
C9 H9 0.9300 .
C13 O3 1.262(5) .
C13 N1 1.379(5) .
C8 N1 1.479(5) .
C8 C5 1.520(6) .
C8 H8B 0.9700 .
C8 H8A 0.9700 .
C5 C4 1.375(6) .
C5 C6 1.391(6) .
C6 C7 1.385(6) .
C6 H6 0.9300 .
C7 C2 1.396(6) .
C7 H7 0.9300 .
C2 C3 1.381(6) .
C2 C1 1.493(6) .
C3 C4 1.380(6) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C1 O2 1.260(5) .
C1 O1 1.264(5) .
C1 Zn1 2.519(4) 2_557
C15 C16 1.347(7) .
C15 N2 1.375(5) .
C15 H15 0.9300 .
C16 N3 1.379(6) .
C16 H16 0.9300 .
C17 N2 1.322(5) .
C17 N3 1.338(5) .
C17 H17 0.9300 .
C18 N3 1.471(6) .
C18 C19 1.514(7) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.518(7) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C20 1.517(10) 2_756
C20 H20A 0.9700 .
C20 H20B 0.9700 .
O1W H1B 0.9173 .
O1W H1A 0.9158 .
O2W H2B 0.9106 .
O2W H2A 0.8993 .
O2 Zn1 2.328(3) 2_557
O1 Zn1 2.044(3) 2_557
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 H1B O2W 0.92 1.88 2.748(7) 157.6 2_676
O1W H1A O2 0.92 2.03 2.938(6) 170.0 1_664
O2W H2B O1W 0.91 2.04 2.764(7) 135.7 .
O2W H2A O5 0.90 1.92 2.728(6) 148.9 .
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 13.1(6) . .
O4 C14 C12 C11 -168.8(4) . .
O5 C14 C12 C13 -164.3(4) . .
O4 C14 C12 C13 13.8(6) . .
C13 C12 C11 C10 1.1(6) . .
C14 C12 C11 C10 -176.4(4) . .
C12 C11 C10 C9 0.1(7) . .
C11 C10 C9 N1 -1.1(7) . .
C11 C12 C13 O3 179.3(4) . .
C14 C12 C13 O3 -3.3(6) . .
C11 C12 C13 N1 -1.2(5) . .
C14 C12 C13 N1 176.2(3) . .
N1 C8 C5 C4 -16.7(6) . .
N1 C8 C5 C6 166.6(4) . .
C4 C5 C6 C7 -2.5(6) . .
C8 C5 C6 C7 174.3(4) . .
C5 C6 C7 C2 0.6(7) . .
C6 C7 C2 C3 2.0(6) . .
C6 C7 C2 C1 -175.7(4) . .
C7 C2 C3 C4 -2.7(7) . .
C1 C2 C3 C4 175.0(4) . .
C6 C5 C4 C3 1.8(7) . .
C8 C5 C4 C3 -174.8(4) . .
C2 C3 C4 C5 0.8(7) . .
C3 C2 C1 O2 -3.4(6) . .
C7 C2 C1 O2 174.3(4) . .
C3 C2 C1 O1 178.6(4) . .
C7 C2 C1 O1 -3.8(6) . .
C3 C2 C1 Zn1 151(2) . 2_557
C7 C2 C1 Zn1 -32(3) . 2_557
N2 C15 C16 N3 0.1(5) . .
N3 C18 C19 C20 179.7(4) . .
C18 C19 C20 C20 -177.6(5) . 2_756
C10 C9 N1 C13 1.0(6) . .
C10 C9 N1 C8 -176.3(4) . .
O3 C13 N1 C9 179.8(4) . .
C12 C13 N1 C9 0.2(6) . .
O3 C13 N1 C8 -2.9(5) . .
C12 C13 N1 C8 177.5(3) . .
C5 C8 N1 C9 99.7(4) . .
C5 C8 N1 C13 -77.7(5) . .
N3 C17 N2 C15 -0.1(5) . .
N3 C17 N2 Zn1 177.2(3) . .
C16 C15 N2 C17 0.0(5) . .
C16 C15 N2 Zn1 -177.1(3) . .
O4 Zn1 N2 C17 179.8(3) . .
O3 Zn1 N2 C17 81.8(4) . .
O1 Zn1 N2 C17 -62.1(4) 2_557 .
O2 Zn1 N2 C17 -14.0(4) 2_557 .
C1 Zn1 N2 C17 -32.9(4) 2_557 .
O4 Zn1 N2 C15 -3.6(4) . .
O3 Zn1 N2 C15 -101.7(4) . .
O1 Zn1 N2 C15 114.5(4) 2_557 .
O2 Zn1 N2 C15 162.5(4) 2_557 .
C1 Zn1 N2 C15 143.7(4) 2_557 .
N2 C17 N3 C16 0.1(5) . .
N2 C17 N3 C18 -178.5(4) . .
C15 C16 N3 C17 -0.1(5) . .
C15 C16 N3 C18 178.5(4) . .
C19 C18 N3 C17 -15.0(7) . .
C19 C18 N3 C16 166.6(4) . .
O5 C14 O4 Zn1 178.9(3) . .
C12 C14 O4 Zn1 0.9(6) . .
O3 Zn1 O4 C14 -16.4(4) . .
N2 Zn1 O4 C14 -129.9(4) . .
O1 Zn1 O4 C14 91.9(4) 2_557 .
O2 Zn1 O4 C14 98.9(5) 2_557 .
C1 Zn1 O4 C14 91.4(4) 2_557 .
N1 C13 O3 Zn1 160.9(3) . .
C12 C13 O3 Zn1 -19.6(5) . .
O4 Zn1 O3 C13 25.1(3) . .
N2 Zn1 O3 C13 128.8(3) . .
O1 Zn1 O3 C13 -78.4(3) 2_557 .
O2 Zn1 O3 C13 -138.1(3) 2_557 .
C1 Zn1 O3 C13 -108.6(3) 2_557 .
O1 C1 O2 Zn1 -5.4(4) . 2_557
C2 C1 O2 Zn1 176.6(4) . 2_557
O2 C1 O1 Zn1 6.2(5) . 2_557
C2 C1 O1 Zn1 -175.8(3) . 2_557
