#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:23:39 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180503 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/72/7217253.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_7217253
loop_
_publ_author_name
'Liu, Shuang-De'
'Kuo, Bing-Chiuan'
'Liu, Yen-Wen'
'Lee, Jing-Yi'
'Wong, Kwun Yip'
'Lee, Hon Man'
_publ_section_title
;
 Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers
 using isomeric organic linkers
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              8874
_journal_paper_doi               10.1039/C4CE01072H
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C24 H16 N3 O7 Zn2'
_chemical_formula_sum            'C24 H16 N3 O7 Zn2'
_chemical_formula_weight         589.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                114.782(3)
_cell_angle_beta                 109.889(4)
_cell_angle_gamma                96.087(3)
_cell_formula_units_Z            2
_cell_length_a                   10.4229(5)
_cell_length_b                   10.5611(6)
_cell_length_c                   12.2119(6)
_cell_measurement_reflns_used    6377
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      2.6
_cell_volume                     1097.92(11)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'DIAMOND (Brandenburg, 2006)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.1181
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13847
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.16
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.239
_exptl_absorpt_correction_T_max  0.5658
_exptl_absorpt_correction_T_min  0.4663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             594
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.092
_refine_diff_density_min         -1.448
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0537
_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)+(0.0000P)²+0.4939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1472
_refine_ls_wR_factor_ref         0.1533
_reflns_number_gt                4209
_reflns_number_total             4795
_reflns_threshold_expression     I>2σ
_cod_data_source_file            c4ce01072h2.cif
_cod_data_source_block           sdl178
_cod_depositor_comments
'Adding full bibliography for 7217251--7217256.cif.'
_cod_original_cell_volume        1097.91(10)
_cod_database_code               7217253
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
C1 C 1.0452(4) 0.6439(4) 0.4375(4) 0.0358(8) Uani 1 1 d .
H1 H 1.0727 0.7068 0.5296 0.043 Uiso 1 1 calc R
C2 C 1.0861(4) 0.5180(4) 0.3995(4) 0.0395(9) Uani 1 1 d .
H2 H 1.1419 0.4956 0.4648 0.047 Uiso 1 1 calc R
C3 C 1.0459(4) 0.4256(4) 0.2671(4) 0.0355(8) Uani 1 1 d .
H3 H 1.0722 0.3378 0.2403 0.043 Uiso 1 1 calc R
C4 C 0.9661(4) 0.4602(4) 0.1715(3) 0.0277(7) Uani 1 1 d .
C5 C 0.9301(4) 0.5899(3) 0.2181(3) 0.0269(7) Uani 1 1 d .
H5 H 0.8763 0.6162 0.1551 0.032 Uiso 1 1 calc R
C6 C 0.9287(4) 0.3599(4) 0.0320(3) 0.0269(7) Uani 1 1 d .
C7 C 0.9916(4) 0.2559(4) -0.0161(3) 0.0289(7) Uani 1 1 d .
H7 H 1.0715 0.2404 0.0381 0.035 Uiso 1 1 calc R
C8 C 0.8190(3) 0.2300(4) -0.1923(3) 0.0273(7) Uani 1 1 d .
C9 C 0.7196(4) 0.1886(4) -0.3210(4) 0.0333(8) Uani 1 1 d .
H9 H 0.7232 0.1134 -0.3968 0.040 Uiso 1 1 calc R
C10 C 0.6174(4) 0.2585(4) -0.3353(4) 0.0372(8) Uani 1 1 d .
H10 H 0.5497 0.2332 -0.4218 0.045 Uiso 1 1 calc R
C11 C 0.6120(4) 0.3688(4) -0.2212(4) 0.0378(8) Uani 1 1 d .
H11 H 0.5386 0.4148 -0.2322 0.045 Uiso 1 1 calc R
C12 C 0.7089(4) 0.4096(4) -0.0974(4) 0.0313(7) Uani 1 1 d .
H12 H 0.7037 0.4835 -0.0218 0.038 Uiso 1 1 calc R
C13 C 0.6566(4) 0.8627(4) 0.2528(4) 0.0323(7) Uani 1 1 d .
C14 C 0.5341(3) 0.8746(4) 0.1519(4) 0.0294(7) Uani 1 1 d .
C15 C 0.4998(4) 0.7921(4) 0.0166(4) 0.0347(8) Uani 1 1 d .
H15 H 0.5530 0.7276 -0.0114 0.042 Uiso 1 1 calc R
C16 C 0.3884(4) 0.8035(4) -0.0773(4) 0.0341(8) Uani 1 1 d .
H16 H 0.3669 0.7482 -0.1693 0.041 Uiso 1 1 calc R
C17 C 0.3077(4) 0.8958(4) -0.0379(3) 0.0288(7) Uani 1 1 d .
C18 C 0.3405(4) 0.9758(4) 0.0971(4) 0.0293(7) Uani 1 1 d .
H18 H 0.2845 1.0370 0.1247 0.035 Uiso 1 1 calc R
C19 C 0.4541(4) 0.9674(4) 0.1919(4) 0.0308(7) Uani 1 1 d .
H19 H 0.4773 1.0248 0.2840 0.037 Uiso 1 1 calc R
C20 C 0.1905(4) 0.9086(4) -0.1410(4) 0.0312(7) Uani 1 1 d .
C21 C 0.7286(4) 0.7304(3) 0.5534(3) 0.0267(7) Uani 1 1 d .
C22 C 0.6111(4) 0.6111(3) 0.5275(3) 0.0272(7) Uani 1 1 d .
C23 C 0.5572(4) 0.4785(4) 0.4084(3) 0.0291(7) Uani 1 1 d .
H23 H 0.5961 0.4637 0.3456 0.035 Uiso 1 1 calc R
C24 C 0.5529(4) 0.6309(4) 0.6177(4) 0.0303(7) Uani 1 1 d .
H24 H 0.5889 0.7207 0.6985 0.036 Uiso 1 1 calc R
N1 N 0.9681(3) 0.6800(3) 0.3486(3) 0.0271(6) Uani 1 1 d .
N2 N 0.9257(3) 0.1766(3) -0.1520(3) 0.0280(6) Uani 1 1 d .
N3 N 0.8162(3) 0.3429(3) -0.0813(3) 0.0270(6) Uani 1 1 d .
O1 O 0.7175(3) 0.7675(3) 0.2113(3) 0.0356(6) Uani 1 1 d .
O2 O 0.6983(3) 0.9475(3) 0.3755(3) 0.0353(6) Uani 1 1 d .
O3 O 0.1728(3) 0.8450(3) -0.2583(3) 0.0452(7) Uani 1 1 d .
O4 O 0.1128(3) 0.9876(3) -0.1017(3) 0.0347(6) Uani 1 1 d .
O5 O 0.7571(3) 0.7161(3) 0.4582(2) 0.0339(5) Uani 1 1 d .
O6 O 0.7899(3) 0.8357(3) 0.6717(2) 0.0339(5) Uani 1 1 d .
O7 O 0.9843(2) 1.0194(2) 0.3947(2) 0.0262(5) Uani 1 1 d .
Zn1 Zn 0.87353(4) 0.84696(4) 0.41137(4) 0.02492(16) Uani 1 1 d .
Zn2 Zn 0.96635(4) 0.99234(4) 0.74884(4) 0.02562(16) Uani 1 1 d .
H7A H 0.9223 1.0472 0.3779 0.035 Uiso 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
N1 C1 C2 122.0(4) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
C3 C2 C1 119.6(4) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 120.0(3) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 116.8(3) . .
C5 C4 C6 125.2(3) . .
C3 C4 C6 118.0(3) . .
N1 C5 C4 123.1(3) . .
N1 C5 H5 118.4 . .
C4 C5 H5 118.4 . .
C7 C6 N3 104.9(3) . .
C7 C6 C4 126.9(3) . .
N3 C6 C4 128.1(3) . .
C6 C7 N2 111.6(3) . .
C6 C7 H7 124.2 . .
N2 C7 H7 124.2 . .
N2 C8 N3 109.2(3) . .
N2 C8 C9 130.0(3) . .
N3 C8 C9 120.8(3) . .
C10 C9 C8 118.5(3) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
C9 C10 C11 120.1(4) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C12 C11 C10 121.2(3) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 N3 119.4(3) . .
C11 C12 H12 120.3 . .
N3 C12 H12 120.3 . .
O2 C13 O1 121.2(3) . .
O2 C13 C14 120.4(3) . .
O1 C13 C14 118.4(3) . .
O2 C13 Zn1 62.26(18) . .
O1 C13 Zn1 59.04(18) . .
C14 C13 Zn1 175.0(2) . .
C15 C14 C19 119.4(3) . .
C15 C14 C13 119.8(3) . .
C19 C14 C13 120.7(3) . .
C16 C15 C14 120.4(3) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 120.4(3) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 119.0(3) . .
C18 C17 C20 121.7(3) . .
C16 C17 C20 119.3(3) . .
C17 C18 C19 120.8(3) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C18 C19 C14 119.9(3) . .
C18 C19 H19 120.0 . .
C14 C19 H19 120.0 . .
O3 C20 O4 123.2(3) . .
O3 C20 C17 119.4(3) . .
O4 C20 C17 117.4(3) . .
O5 C21 O6 126.5(3) . .
O5 C21 C22 117.7(3) . .
C24 C22 C23 119.2(3) . .
C24 C22 C21 121.3(3) . .
C23 C22 C21 119.4(3) . .
C24 C23 C22 119.9(3) 2_666 .
C24 C23 H23 120.0 2_666 .
C22 C23 H23 120.0 . .
C22 C24 C23 120.8(3) . 2_666
C22 C24 H24 119.6 . .
C23 C24 H24 119.6 2_666 .
C1 N1 C5 118.5(3) . .
C1 N1 Zn1 118.6(2) . .
C5 N1 Zn1 121.5(2) . .
C8 N2 C7 106.8(3) . .
C8 N2 Zn2 130.4(2) . 1_544
C7 N2 Zn2 121.4(2) . 1_544
C12 N3 C8 119.9(3) . .
C12 N3 C6 132.5(3) . .
C8 N3 C6 107.5(3) . .
C13 O1 Zn1 90.6(2) . .
C13 O2 Zn1 87.6(2) . .
C20 O4 Zn2 111.3(2) . 1_454
C21 O5 Zn1 138.1(2) . .
C21 O6 Zn2 126.9(2) . .
Zn2 O7 Zn1 120.05(11) 2_776 2_776
Zn2 O7 Zn1 129.51(11) 2_776 .
Zn1 O7 Zn1 100.74(10) 2_776 .
Zn2 O7 H7A 97.1 2_776 .
Zn1 O7 H7A 110.4 2_776 .
Zn1 O7 H7A 94.9 . .
O7 Zn1 N1 102.35(10) 2_776 .
O7 Zn1 O5 93.62(9) 2_776 .
N1 Zn1 O5 87.55(10) . .
O7 Zn1 O1 162.87(9) 2_776 .
N1 Zn1 O1 91.87(10) . .
O5 Zn1 O1 96.52(10) . .
O7 Zn1 O7 79.26(10) 2_776 .
N1 Zn1 O7 103.78(10) . .
O5 Zn1 O7 167.62(9) . .
O1 Zn1 O7 88.18(9) . .
O7 Zn1 O2 105.94(9) 2_776 .
N1 Zn1 O2 151.68(11) . .
O5 Zn1 O2 89.60(10) . .
O1 Zn1 O2 60.48(9) . .
O7 Zn1 O2 82.74(9) . .
O7 Zn1 C13 135.02(10) 2_776 .
N1 Zn1 C13 122.12(12) . .
O5 Zn1 C13 94.59(11) . .
O1 Zn1 C13 30.34(10) . .
O7 Zn1 C13 83.67(10) . .
O2 Zn1 C13 30.17(10) . .
O7 Zn2 O4 116.94(10) 2_776 1_656
O7 Zn2 O6 108.53(10) 2_776 .
O4 Zn2 O6 109.80(11) 1_656 .
O7 Zn2 N2 115.35(10) 2_776 1_566
O4 Zn2 N2 100.01(11) 1_656 1_566
O6 Zn2 N2 105.46(11) . 1_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.338(4) .
C1 C2 1.379(5) .
C1 H1 0.9500 .
C2 C3 1.367(5) .
C2 H2 0.9500 .
C3 C4 1.397(5) .
C3 H3 0.9500 .
C4 C5 1.394(4) .
C4 C6 1.457(5) .
C5 N1 1.349(4) .
C5 H5 0.9500 .
C6 C7 1.363(4) .
C6 N3 1.401(4) .
C7 N2 1.365(4) .
C7 H7 0.9500 .
C8 N2 1.338(4) .
C8 N3 1.393(4) .
C8 C9 1.398(5) .
C9 C10 1.364(5) .
C9 H9 0.9500 .
C10 C11 1.417(5) .
C10 H10 0.9500 .
C11 C12 1.347(5) .
C11 H11 0.9500 .
C12 N3 1.386(4) .
C12 H12 0.9500 .
C13 O2 1.259(4) .
C13 O1 1.264(4) .
C13 C14 1.502(5) .
C13 Zn1 2.502(4) .
C14 C15 1.393(5) .
C14 C19 1.395(4) .
C15 C16 1.385(5) .
C15 H15 0.9500 .
C16 C17 1.395(4) .
C16 H16 0.9500 .
C17 C18 1.391(5) .
C17 C20 1.493(5) .
C18 C19 1.388(5) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 O3 1.235(4) .
C20 O4 1.285(4) .
C21 O5 1.249(4) .
C21 O6 1.267(4) .
C21 C22 1.504(5) .
C22 C24 1.383(5) .
C22 C23 1.401(5) .
C23 C24 1.383(5) 2_666
C23 H23 0.9500 .
C24 C23 1.383(5) 2_666
C24 H24 0.9500 .
N1 Zn1 2.102(3) .
N2 Zn2 1.995(3) 1_544
O1 Zn1 2.146(3) .
O2 Zn1 2.217(2) .
O4 Zn2 1.965(2) 1_454
O5 Zn1 2.118(2) .
O6 Zn2 1.968(2) .
O7 Zn2 1.949(2) 2_776
O7 Zn1 2.040(2) 2_776
O7 Zn1 2.171(2) .
O7 H7A 0.7387 .
Zn1 O7 2.040(2) 2_776
Zn2 O7 1.949(2) 2_776
Zn2 O4 1.965(3) 1_656
Zn2 N2 1.995(3) 1_566
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
N1 C1 C2 C3 -0.8(7) . .
C1 C2 C3 C4 1.2(7) . .
C2 C3 C4 C5 -0.6(6) . .
C2 C3 C4 C6 178.6(4) . .
C3 C4 C5 N1 -0.3(5) . .
C6 C4 C5 N1 -179.5(3) . .
C5 C4 C6 C7 160.5(3) . .
C3 C4 C6 C7 -18.7(6) . .
C5 C4 C6 N3 -23.5(6) . .
C3 C4 C6 N3 157.3(3) . .
N3 C6 C7 N2 0.5(4) . .
C4 C6 C7 N2 177.2(3) . .
N2 C8 C9 C10 178.1(4) . .
N3 C8 C9 C10 -1.8(5) . .
C8 C9 C10 C11 -1.0(6) . .
C9 C10 C11 C12 1.8(6) . .
C10 C11 C12 N3 0.2(6) . .
O2 C13 C14 C15 172.5(3) . .
O1 C13 C14 C15 -6.4(5) . .
O2 C13 C14 C19 -7.5(5) . .
O1 C13 C14 C19 173.6(3) . .
C19 C14 C15 C16 0.9(6) . .
C13 C14 C15 C16 -179.1(3) . .
C14 C15 C16 C17 -1.2(6) . .
C15 C16 C17 C18 -0.1(6) . .
C15 C16 C17 C20 178.6(3) . .
C16 C17 C18 C19 1.6(5) . .
C20 C17 C18 C19 -177.0(3) . .
C17 C18 C19 C14 -1.9(5) . .
C15 C14 C19 C18 0.6(5) . .
C13 C14 C19 C18 -179.4(3) . .
C18 C17 C20 O3 173.9(4) . .
C16 C17 C20 O3 -4.7(5) . .
C18 C17 C20 O4 -5.6(5) . .
C16 C17 C20 O4 175.8(3) . .
O5 C21 C22 C24 -166.5(3) . .
O6 C21 C22 C24 14.1(4) . .
O5 C21 C22 C23 12.0(4) . .
O6 C21 C22 C23 -167.4(3) . .
C24 C22 C23 C24 -0.2(5) . 2_666
C21 C22 C23 C24 -178.7(3) . 2_666
C23 C22 C24 C23 0.2(5) . 2_666
C21 C22 C24 C23 178.6(3) . 2_666
C2 C1 N1 C5 -0.2(6) . .
C2 C1 N1 Zn1 166.6(3) . .
C4 C5 N1 C1 0.7(5) . .
C4 C5 N1 Zn1 -165.7(3) . .
N3 C8 N2 C7 -0.6(4) . .
C9 C8 N2 C7 179.6(4) . .
N3 C8 N2 Zn2 165.8(2) . 1_544
C9 C8 N2 Zn2 -14.1(6) . 1_544
C6 C7 N2 C8 0.0(4) . .
C6 C7 N2 Zn2 -167.8(2) . 1_544
C11 C12 N3 C8 -3.0(5) . .
C11 C12 N3 C6 -179.0(4) . .
N2 C8 N3 C12 -176.0(3) . .
C9 C8 N3 C12 3.9(5) . .
N2 C8 N3 C6 0.9(4) . .
C9 C8 N3 C6 -179.2(3) . .
C7 C6 N3 C12 175.5(4) . .
C4 C6 N3 C12 -1.1(6) . .
C7 C6 N3 C8 -0.8(4) . .
C4 C6 N3 C8 -177.4(3) . .
O2 C13 O1 Zn1 -3.8(3) . .
C14 C13 O1 Zn1 175.1(3) . .
O1 C13 O2 Zn1 3.7(3) . .
C14 C13 O2 Zn1 -175.1(3) . .
O3 C20 O4 Zn2 -0.1(5) . 1_454
C17 C20 O4 Zn2 179.5(2) . 1_454
O6 C21 O5 Zn1 -14.7(5) . .
C22 C21 O5 Zn1 166.0(2) . .
O5 C21 O6 Zn2 -10.4(5) . .
C22 C21 O6 Zn2 169.0(2) . .
C1 N1 Zn1 O7 31.9(3) . 2_776
C5 N1 Zn1 O7 -161.7(3) . 2_776
C1 N1 Zn1 O5 -61.2(3) . .
C1 N1 Zn1 O1 -157.7(3) . .
C5 N1 Zn1 O1 8.7(3) . .
C1 N1 Zn1 O7 113.7(3) . .
C5 N1 Zn1 O7 -79.9(3) . .
C1 N1 Zn1 O2 -145.8(3) . .
C5 N1 Zn1 O2 20.5(4) . .
C1 N1 Zn1 C13 -155.1(3) . .
C5 N1 Zn1 C13 11.3(3) . .
C21 O5 Zn1 O7 29.4(3) . 2_776
C21 O5 Zn1 N1 131.6(3) . .
C21 O5 Zn1 O1 -136.8(3) . .
C21 O5 Zn1 O7 -25.0(6) . .
C21 O5 Zn1 O2 -76.6(3) . .
C21 O5 Zn1 C13 -106.4(3) . .
C13 O1 Zn1 O7 -37.9(4) . 2_776
C13 O1 Zn1 N1 175.7(2) . .
C13 O1 Zn1 O5 88.0(2) . .
C13 O1 Zn1 O7 -80.6(2) . .
C13 O1 Zn1 O2 2.13(19) . .
Zn2 O7 Zn1 O7 144.80(18) 2_776 2_776
Zn1 O7 Zn1 O7 0.0 2_776 2_776
Zn2 O7 Zn1 N1 44.57(16) 2_776 .
Zn1 O7 Zn1 N1 -100.23(10) 2_776 .
Zn2 O7 Zn1 O5 -159.6(4) 2_776 .
Zn1 O7 Zn1 O5 55.6(4) 2_776 .
Zn2 O7 Zn1 O1 -46.92(14) 2_776 .
Zn1 O7 Zn1 O1 168.29(10) 2_776 .
Zn2 O7 Zn1 O2 -107.38(15) 2_776 .
Zn1 O7 Zn1 O2 107.82(10) 2_776 .
Zn2 O7 Zn1 C13 -77.01(15) 2_776 .
Zn1 O7 Zn1 C13 138.19(11) 2_776 .
C13 O2 Zn1 O7 166.5(2) . 2_776
C13 O2 Zn1 N1 -15.8(3) . .
C13 O2 Zn1 O5 -99.9(2) . .
C13 O2 Zn1 O1 -2.15(19) . .
C13 O2 Zn1 O7 89.9(2) . .
O2 C13 Zn1 O7 -18.5(3) . 2_776
O1 C13 Zn1 O7 165.16(18) . 2_776
O2 C13 Zn1 N1 171.24(19) . .
O1 C13 Zn1 N1 -5.1(2) . .
O2 C13 Zn1 O5 81.2(2) . .
O1 C13 Zn1 O5 -95.1(2) . .
O2 C13 Zn1 O1 176.3(3) . .
O2 C13 Zn1 O7 -86.4(2) . .
O1 C13 Zn1 O7 97.3(2) . .
O1 C13 Zn1 O2 -176.3(3) . .
C21 O6 Zn2 O7 10.1(3) . 2_776
C21 O6 Zn2 O4 -118.8(3) . 1_656
C21 O6 Zn2 N2 134.2(3) . 1_566
