#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:25:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179969 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/63/7026376.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_7026376
loop_
_publ_author_name
'Zang, Shuang-Quan'
'Liang, Ran'
'Fan, Ya-Juan'
'Hou, Hong-Wei'
'Mak, Thomas C. W.'
_publ_section_title
;
 Divalent zinc and cadmium coordination polymers of a new flexible
 tetracarboxylate ligand: syntheses, crystal structures and properties.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8022
_journal_page_last               8032
_journal_paper_doi               10.1039/c0dt00374c
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C27 H16 N2 O10 Zn2'
_chemical_formula_sum            'C27 H16 N2 O10 Zn2'
_chemical_formula_weight         659.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 97.0080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0753(7)
_cell_length_b                   8.7427(6)
_cell_length_c                   24.9801(16)
_cell_measurement_reflns_used    2250
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.650
_cell_measurement_theta_min      2.1505
_cell_volume                     2400.7(3)
_computing_cell_refinement       'APEX 2'
_computing_data_collection       'APEX 2(Bruker, 2009)'
_computing_data_reduction        'SAINT(Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL(Bruker, 2009)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX II 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  0.0913
_diffrn_reflns_av_sigmaI/netI    0.1102
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            11731
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.067
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.7073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.896
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4225
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.896
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0457
_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)+(0.0246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                2678
_reflns_number_total             4225
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00374c.txt
_cod_data_source_block           compound4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7026376
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 0.37547(5) 0.95394(6) 0.47317(2) 0.02289(17) Uani 1 1 d .
Zn2 Zn 0.59289(5) 0.77089(7) 0.41483(2) 0.02958(19) Uani 1 1 d .
N1 N 0.2025(3) 1.0630(4) 0.46575(16) 0.0258(10) Uani 1 1 d .
N2 N -0.2909(3) 1.5860(5) 0.42755(17) 0.0290(11) Uani 1 1 d .
O1 O 0.2952(3) 0.7801(4) 0.42089(12) 0.0246(8) Uani 1 1 d .
O2 O 0.4439(3) 0.7055(4) 0.37187(13) 0.0297(9) Uani 1 1 d .
O3 O 0.1274(3) 0.8959(4) 0.31494(15) 0.0418(10) Uani 1 1 d .
O4 O -0.0155(3) 0.7773(4) 0.35599(17) 0.0498(11) Uani 1 1 d .
H4 H -0.0610 0.8469 0.3443 0.075 Uiso 1 1 calc R
O5 O 0.4353(3) 0.3963(4) 0.42264(14) 0.0331(9) Uani 1 1 d .
O6 O 0.4496(3) 0.0609(4) 0.41012(12) 0.0255(8) Uani 1 1 d .
O7 O 0.6369(3) 0.1261(4) 0.45023(12) 0.0247(8) Uani 1 1 d .
O8 O 0.6882(3) -0.1094(4) 0.36817(13) 0.0345(9) Uani 1 1 d .
O9 O 0.8491(3) 0.0065(4) 0.34295(16) 0.0495(11) Uani 1 1 d .
O10 O 0.5495(3) 0.8420(4) 0.48242(12) 0.0257(8) Uani 1 1 d .
H10A H 0.5467 0.7687 0.5027 0.031 Uiso 1 1 d R
C1 C 0.3025(4) 0.4446(5) 0.34322(18) 0.0241(12) Uani 1 1 d .
C2 C 0.2557(4) 0.5894(5) 0.35248(18) 0.0207(11) Uani 1 1 d .
C3 C 0.1383(4) 0.6266(6) 0.32825(19) 0.0258(12) Uani 1 1 d .
C4 C 0.0724(4) 0.5196(6) 0.2956(2) 0.0349(14) Uani 1 1 d .
H4A H -0.0062 0.5431 0.2803 0.042 Uiso 1 1 calc R
C5 C 0.1206(5) 0.3813(7) 0.2856(2) 0.0400(15) Uani 1 1 d .
H5 H 0.0757 0.3119 0.2631 0.048 Uiso 1 1 calc R
C6 C 0.2360(5) 0.3435(6) 0.3089(2) 0.0344(14) Uani 1 1 d .
H6 H 0.2692 0.2494 0.3014 0.041 Uiso 1 1 calc R
C7 C 0.4198(4) 0.3928(5) 0.3731(2) 0.0240(12) Uani 1 1 d .
C8 C 0.5110(4) 0.3276(6) 0.34113(19) 0.0245(12) Uani 1 1 d .
C9 C 0.5786(4) 0.1993(5) 0.36013(18) 0.0214(11) Uani 1 1 d .
C10 C 0.6677(4) 0.1439(5) 0.33084(19) 0.0233(12) Uani 1 1 d .
C11 C 0.6910(5) 0.2167(6) 0.2837(2) 0.0354(14) Uani 1 1 d .
H11 H 0.7526 0.1808 0.2648 0.042 Uiso 1 1 calc R
C12 C 0.6223(5) 0.3430(7) 0.2646(2) 0.0439(16) Uani 1 1 d .
H12 H 0.6371 0.3908 0.2327 0.053 Uiso 1 1 calc R
C13 C 0.5323(5) 0.3964(6) 0.2932(2) 0.0337(14) Uani 1 1 d .
H13 H 0.4854 0.4797 0.2802 0.040 Uiso 1 1 calc R
C14 C 0.3369(4) 0.7033(5) 0.38532(19) 0.0231(12) Uani 1 1 d .
C15 C 0.0858(4) 0.7838(7) 0.3333(2) 0.0298(13) Uani 1 1 d .
C16 C 0.5523(5) 0.1229(5) 0.4112(2) 0.0226(12) Uani 1 1 d .
C17 C 0.7403(5) 0.0024(6) 0.34888(19) 0.0268(12) Uani 1 1 d .
C18 C 0.1555(5) 1.1108(6) 0.4169(2) 0.0370(14) Uani 1 1 d .
H18 H 0.1918 1.0792 0.3871 0.044 Uiso 1 1 calc R
C19 C 0.0551(5) 1.2053(6) 0.4088(2) 0.0378(15) Uani 1 1 d .
H19 H 0.0250 1.2348 0.3739 0.045 Uiso 1 1 calc R
C20 C -0.0010(4) 1.2561(5) 0.4515(2) 0.0251(12) Uani 1 1 d .
C21 C 0.0454(4) 1.2021(6) 0.5023(2) 0.0309(13) Uani 1 1 d .
H21 H 0.0092 1.2297 0.5325 0.037 Uiso 1 1 calc R
C22 C 0.1455(4) 1.1072(6) 0.5071(2) 0.0285(13) Uani 1 1 d .
H22 H 0.1751 1.0718 0.5413 0.034 Uiso 1 1 calc R
C23 C -0.1050(4) 1.3674(5) 0.4435(2) 0.0239(12) Uani 1 1 d .
C24 C -0.1300(5) 1.4445(6) 0.3954(2) 0.0387(14) Uani 1 1 d .
H24 H -0.0848 1.4241 0.3672 0.046 Uiso 1 1 calc R
C25 C -0.2225(4) 1.5526(6) 0.3887(2) 0.0368(14) Uani 1 1 d .
H25 H -0.2374 1.6036 0.3559 0.044 Uiso 1 1 calc R
C27 C -0.2695(5) 1.5079(6) 0.4738(2) 0.0358(14) Uani 1 1 d .
H27 H -0.3179 1.5274 0.5009 0.043 Uiso 1 1 calc R
C28 C -0.1791(4) 1.4000(6) 0.4829(2) 0.0312(13) Uani 1 1 d .
H28 H -0.1677 1.3486 0.5157 0.037 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
O7 Zn1 O6 158.80(12) 3_666 1_565
O7 Zn1 O1 104.93(12) 3_666 .
O6 Zn1 O1 91.73(12) 1_565 .
O7 Zn1 N1 94.12(14) 3_666 .
O6 Zn1 N1 99.60(14) 1_565 .
O1 Zn1 N1 87.86(13) . .
O7 Zn1 O10 84.60(12) 3_666 .
O6 Zn1 O10 81.64(12) 1_565 .
O1 Zn1 O10 92.44(12) . .
N1 Zn1 O10 178.72(14) . .
O7 Zn1 O10 82.60(12) 3_666 3_676
O6 Zn1 O10 81.87(12) 1_565 3_676
O1 Zn1 O10 171.54(12) . 3_676
N1 Zn1 O10 87.77(13) . 3_676
O10 Zn1 O10 92.09(11) . 3_676
O7 Zn1 Zn1 80.74(9) 3_666 3_676
O6 Zn1 Zn1 78.08(9) 1_565 3_676
O1 Zn1 Zn1 138.80(9) . 3_676
N1 Zn1 Zn1 132.99(11) . 3_676
O10 Zn1 Zn1 46.86(8) . 3_676
O10 Zn1 Zn1 45.23(8) 3_676 3_676
O10 Zn2 O2 107.18(13) . .
O10 Zn2 O8 124.09(14) . 1_565
O2 Zn2 O8 108.09(14) . 1_565
O10 Zn2 N2 109.69(15) . 1_645
O2 Zn2 N2 109.03(15) . 1_645
O8 Zn2 N2 97.92(16) 1_565 1_645
C22 N1 C18 116.8(4) . .
C22 N1 Zn1 124.7(3) . .
C18 N1 Zn1 117.8(3) . .
C25 N2 C27 117.3(4) . .
C25 N2 Zn2 117.2(3) . 1_465
C27 N2 Zn2 125.0(3) . 1_465
C14 O1 Zn1 131.3(3) . .
C14 O2 Zn2 128.0(3) . .
C15 O4 H4 109.5 . .
C16 O6 Zn1 128.1(3) . 1_545
C16 O7 Zn1 125.5(3) . 3_666
C17 O8 Zn2 160.5(3) . 1_545
Zn2 O10 Zn1 111.79(14) . .
Zn2 O10 Zn1 125.85(16) . 3_676
Zn1 O10 Zn1 87.92(11) . 3_676
Zn2 O10 H10A 108.9 . .
Zn1 O10 H10A 108.7 . .
Zn1 O10 H10A 111.1 3_676 .
C6 C1 C2 120.2(4) . .
C6 C1 C7 119.0(4) . .
C2 C1 C7 120.7(4) . .
C1 C2 C3 118.7(4) . .
C1 C2 C14 118.5(4) . .
C3 C2 C14 122.6(4) . .
C4 C3 C2 119.3(5) . .
C4 C3 C15 119.0(4) . .
C2 C3 C15 121.5(4) . .
C5 C4 C3 121.2(5) . .
C5 C4 H4A 119.4 . .
C3 C4 H4A 119.4 . .
C4 C5 C6 120.2(5) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C1 120.4(5) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
O5 C7 C8 122.2(4) . .
O5 C7 C1 120.3(4) . .
C8 C7 C1 117.3(4) . .
C13 C8 C9 120.0(5) . .
C13 C8 C7 120.0(4) . .
C9 C8 C7 119.9(4) . .
C10 C9 C8 119.2(4) . .
C10 C9 C16 121.2(4) . .
C8 C9 C16 119.6(4) . .
C9 C10 C11 120.4(4) . .
C9 C10 C17 121.0(4) . .
C11 C10 C17 118.6(4) . .
C10 C11 C12 120.2(5) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 119.3(5) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C8 120.8(5) . .
C12 C13 H13 119.6 . .
C8 C13 H13 119.6 . .
O1 C14 O2 128.2(4) . .
O1 C14 C2 119.6(4) . .
O2 C14 C2 112.2(4) . .
O3 C15 O4 126.0(5) . .
O3 C15 C3 122.9(5) . .
O4 C15 C3 110.8(5) . .
O6 C16 O7 127.4(5) . .
O6 C16 C9 116.3(4) . .
O7 C16 C9 116.2(4) . .
O9 C17 O8 124.6(5) . .
O9 C17 C10 115.6(5) . .
O8 C17 C10 119.8(4) . .
N1 C18 C19 122.7(5) . .
N1 C18 H18 118.7 . .
C19 C18 H18 118.7 . .
C20 C19 C18 120.8(5) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C19 C20 C21 116.6(4) . .
C19 C20 C23 121.2(4) . .
C21 C20 C23 122.2(5) . .
C22 C21 C20 119.2(5) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
N1 C22 C21 123.9(5) . .
N1 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
C24 C23 C28 116.4(4) . .
C24 C23 C20 120.2(4) . .
C28 C23 C20 123.4(5) . .
C23 C24 C25 120.4(5) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
N2 C25 C24 122.5(5) . .
N2 C25 H25 118.7 . .
C24 C25 H25 118.7 . .
N2 C27 C28 122.8(5) . .
N2 C27 H27 118.6 . .
C28 C27 H27 118.6 . .
C27 C28 C23 120.4(5) . .
C27 C28 H28 119.8 . .
C23 C28 H28 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 2.058(3) 3_666
Zn1 O6 2.084(3) 1_565
Zn1 O1 2.127(3) .
Zn1 N1 2.128(4) .
Zn1 O10 2.149(3) .
Zn1 O10 2.209(3) 3_676
Zn1 Zn1 3.0253(11) 3_676
Zn2 O10 1.915(3) .
Zn2 O2 1.941(3) .
Zn2 O8 1.967(4) 1_565
Zn2 N2 2.067(4) 1_645
N1 C22 1.332(6) .
N1 C18 1.333(6) .
N2 C25 1.333(6) .
N2 C27 1.337(6) .
N2 Zn2 2.067(4) 1_465
O1 C14 1.246(5) .
O2 C14 1.271(5) .
O3 C15 1.199(6) .
O4 C15 1.318(6) .
O4 H4 0.8200 .
O5 C7 1.229(5) .
O6 C16 1.257(5) .
O6 Zn1 2.084(3) 1_545
O7 C16 1.268(5) .
O7 Zn1 2.058(3) 3_666
O8 C17 1.260(6) .
O8 Zn2 1.967(4) 1_545
O9 C17 1.232(5) .
O10 Zn1 2.209(3) 3_676
O10 H10A 0.8201 .
C1 C6 1.380(6) .
C1 C2 1.398(6) .
C1 C7 1.488(6) .
C2 C3 1.404(6) .
C2 C14 1.514(6) .
C3 C4 1.389(6) .
C3 C15 1.503(7) .
C4 C5 1.357(7) .
C4 H4A 0.9300 .
C5 C6 1.377(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.476(6) .
C8 C13 1.386(6) .
C8 C9 1.399(6) .
C9 C10 1.385(6) .
C9 C16 1.499(6) .
C10 C11 1.390(6) .
C10 C17 1.514(6) .
C11 C12 1.392(7) .
C11 H11 0.9300 .
C12 C13 1.378(7) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C18 C19 1.380(6) .
C18 H18 0.9300 .
C19 C20 1.373(6) .
C19 H19 0.9300 .
C20 C21 1.391(6) .
C20 C23 1.502(6) .
C21 C22 1.379(6) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.376(6) .
C23 C28 1.386(6) .
C24 C25 1.389(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C27 C28 1.374(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
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
O4 H4 O9 0.82 1.71 2.500(5) 160.4 1_465
O10 H10A O5 0.82 2.35 3.146(5) 165.0 3_666
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
O7 Zn1 N1 C22 22.9(4) 3_666 .
O6 Zn1 N1 C22 -140.9(4) 1_565 .
O1 Zn1 N1 C22 127.7(4) . .
O10 Zn1 N1 C22 -59.5(4) 3_676 .
Zn1 Zn1 N1 C22 -58.3(4) 3_676 .
O7 Zn1 N1 C18 -167.4(4) 3_666 .
O6 Zn1 N1 C18 28.9(4) 1_565 .
O1 Zn1 N1 C18 -62.5(4) . .
O10 Zn1 N1 C18 110.2(4) 3_676 .
Zn1 Zn1 N1 C18 111.5(4) 3_676 .
O7 Zn1 O1 C14 -121.8(4) 3_666 .
O6 Zn1 O1 C14 45.0(4) 1_565 .
N1 Zn1 O1 C14 144.5(4) . .
O10 Zn1 O1 C14 -36.7(4) . .
Zn1 Zn1 O1 C14 -28.8(4) 3_676 .
O10 Zn2 O2 C14 -2.4(4) . .
O8 Zn2 O2 C14 -138.3(4) 1_565 .
N2 Zn2 O2 C14 116.3(4) 1_645 .
O2 Zn2 O10 Zn1 -35.11(19) . .
O8 Zn2 O10 Zn1 91.89(18) 1_565 .
N2 Zn2 O10 Zn1 -153.35(15) 1_645 .
O2 Zn2 O10 Zn1 -139.03(17) . 3_676
O8 Zn2 O10 Zn1 -12.0(2) 1_565 3_676
N2 Zn2 O10 Zn1 102.7(2) 1_645 3_676
O7 Zn1 O10 Zn2 149.56(17) 3_666 .
O6 Zn1 O10 Zn2 -46.61(15) 1_565 .
O1 Zn1 O10 Zn2 44.78(16) . .
O10 Zn1 O10 Zn2 -128.1(2) 3_676 .
Zn1 Zn1 O10 Zn2 -128.1(2) 3_676 .
O7 Zn1 O10 Zn1 -82.37(12) 3_666 3_676
O6 Zn1 O10 Zn1 81.47(12) 1_565 3_676
O1 Zn1 O10 Zn1 172.86(11) . 3_676
O10 Zn1 O10 Zn1 0.0 3_676 3_676
C6 C1 C2 C3 2.9(7) . .
C7 C1 C2 C3 -172.5(4) . .
C6 C1 C2 C14 -173.2(4) . .
C7 C1 C2 C14 11.3(7) . .
C1 C2 C3 C4 -0.5(7) . .
C14 C2 C3 C4 175.5(5) . .
C1 C2 C3 C15 -175.7(5) . .
C14 C2 C3 C15 0.3(7) . .
C2 C3 C4 C5 -1.6(8) . .
C15 C3 C4 C5 173.7(5) . .
C3 C4 C5 C6 1.3(9) . .
C4 C5 C6 C1 1.3(8) . .
C2 C1 C6 C5 -3.4(8) . .
C7 C1 C6 C5 172.2(5) . .
C6 C1 C7 O5 -121.7(5) . .
C2 C1 C7 O5 53.9(7) . .
C6 C1 C7 C8 53.9(6) . .
C2 C1 C7 C8 -130.5(5) . .
O5 C7 C8 C13 -141.7(5) . .
C1 C7 C8 C13 42.8(7) . .
O5 C7 C8 C9 36.2(7) . .
C1 C7 C8 C9 -139.3(5) . .
C13 C8 C9 C10 0.9(7) . .
C7 C8 C9 C10 -177.0(4) . .
C13 C8 C9 C16 -178.2(4) . .
C7 C8 C9 C16 3.9(7) . .
C8 C9 C10 C11 1.1(7) . .
C16 C9 C10 C11 -179.8(4) . .
C8 C9 C10 C17 -178.0(4) . .
C16 C9 C10 C17 1.1(7) . .
C9 C10 C11 C12 -2.0(8) . .
C17 C10 C11 C12 177.1(5) . .
C10 C11 C12 C13 0.9(8) . .
C11 C12 C13 C8 1.1(8) . .
C9 C8 C13 C12 -2.0(8) . .
C7 C8 C13 C12 175.9(5) . .
Zn1 O1 C14 O2 2.8(7) . .
Zn1 O1 C14 C2 -177.7(3) . .
Zn2 O2 C14 O1 23.0(7) . .
Zn2 O2 C14 C2 -156.5(3) . .
C1 C2 C14 O1 -135.7(5) . .
C3 C2 C14 O1 48.3(6) . .
C1 C2 C14 O2 43.8(6) . .
C3 C2 C14 O2 -132.1(5) . .
C4 C3 C15 O3 -110.9(6) . .
C2 C3 C15 O3 64.4(7) . .
C4 C3 C15 O4 63.7(6) . .
C2 C3 C15 O4 -121.1(5) . .
Zn1 O6 C16 O7 4.6(7) 1_545 .
Zn1 O6 C16 C9 -176.5(3) 1_545 .
Zn1 O7 C16 O6 -6.0(7) 3_666 .
Zn1 O7 C16 C9 175.2(3) 3_666 .
C10 C9 C16 O6 -113.8(5) . .
C8 C9 C16 O6 65.3(6) . .
C10 C9 C16 O7 65.2(6) . .
C8 C9 C16 O7 -115.8(5) . .
Zn2 O8 C17 O9 124.3(9) 1_545 .
Zn2 O8 C17 C10 -56.1(12) 1_545 .
C9 C10 C17 O9 -141.0(5) . .
C11 C10 C17 O9 39.9(7) . .
C9 C10 C17 O8 39.4(7) . .
C11 C10 C17 O8 -139.8(5) . .
C22 N1 C18 C19 2.0(8) . .
Zn1 N1 C18 C19 -168.6(4) . .
N1 C18 C19 C20 0.7(9) . .
C18 C19 C20 C21 -2.8(8) . .
C18 C19 C20 C23 175.8(5) . .
C19 C20 C21 C22 2.3(7) . .
C23 C20 C21 C22 -176.2(4) . .
C18 N1 C22 C21 -2.4(7) . .
Zn1 N1 C22 C21 167.4(4) . .
C20 C21 C22 N1 0.2(8) . .
C19 C20 C23 C24 -13.4(7) . .
C21 C20 C23 C24 165.1(5) . .
C19 C20 C23 C28 167.3(5) . .
C21 C20 C23 C28 -14.2(7) . .
C28 C23 C24 C25 2.3(8) . .
C20 C23 C24 C25 -177.1(5) . .
C27 N2 C25 C24 -1.7(8) . .
Zn2 N2 C25 C24 171.3(4) 1_465 .
C23 C24 C25 N2 -0.4(9) . .
C25 N2 C27 C28 1.9(8) . .
Zn2 N2 C27 C28 -170.5(4) 1_465 .
N2 C27 C28 C23 0.0(8) . .
C24 C23 C28 C27 -2.1(8) . .
C20 C23 C28 C27 177.2(5) . .
