#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/63/7026373.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_7026373
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
'2(C30 H20 N2 O9 Zn2), 2(H2 O), 2(H0.50 O0.25), 2(H0.50 O0.25), 2(H0.50 O0.25)'
_chemical_formula_sum            'C60 H47 N4 O21.5 Zn4'
_chemical_formula_weight         1429.50
_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                93.944(2)
_cell_angle_beta                 108.388(2)
_cell_angle_gamma                94.247(2)
_cell_formula_units_Z            1
_cell_length_a                   11.4663(14)
_cell_length_b                   11.4985(14)
_cell_length_c                   12.4691(15)
_cell_measurement_reflns_used    2250
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.650
_cell_measurement_theta_min      2.1505
_cell_volume                     1548.4(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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.1042
_diffrn_reflns_av_sigmaI/netI    0.1518
_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       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7905
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    1.610
_exptl_absorpt_correction_T_max  0.7183
_exptl_absorpt_correction_T_min  0.6268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             727
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.097
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5402
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0663
_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)+(0.0463P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1838
_reflns_number_gt                2955
_reflns_number_total             5402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00374c.txt
_cod_data_source_block           compound1
_cod_original_formula_sum        'C60 H47 N4 O21.50 Zn4'
_cod_database_code               7026373
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 0.22593(8) 1.05177(8) 0.55674(8) 0.0357(3) Uani 1 1 d .
Zn2 Zn -0.03320(8) 0.33114(8) 0.43557(8) 0.0343(3) Uani 1 1 d .
N1 N 0.9302(6) 1.2529(6) 1.2765(5) 0.0399(17) Uani 1 1 d .
N2 N 0.3826(6) 0.9860(6) 0.6425(5) 0.0389(17) Uani 1 1 d .
O1 O 0.1031(4) 0.8213(4) 0.5132(4) 0.0371(13) Uani 1 1 d .
O2 O 0.1477(5) 0.9560(4) 0.4100(4) 0.0371(13) Uani 1 1 d .
O3 O -0.1194(4) 0.9111(5) 0.3552(4) 0.0379(13) Uani 1 1 d .
O4 O -0.2712(5) 0.7856(6) 0.2376(6) 0.0652(19) Uani 1 1 d .
O5 O 0.3348(5) 0.7790(5) 0.4148(6) 0.0539(17) Uani 1 1 d .
O6 O 0.0357(5) 0.4953(5) 0.3942(5) 0.0466(15) Uani 1 1 d .
O7 O 0.1774(5) 0.5932(5) 0.5442(5) 0.0507(16) Uani 1 1 d .
O8 O 0.1437(4) 0.3070(5) 0.5142(4) 0.0376(13) Uani 1 1 d .
O9 O 0.2870(5) 0.1908(4) 0.4977(5) 0.0461(15) Uani 1 1 d .
C1 C 0.1368(7) 0.6995(7) 0.2835(7) 0.0332(19) Uani 1 1 d .
C2 C 0.0564(7) 0.7724(6) 0.3120(6) 0.0294(18) Uani 1 1 d .
C3 C -0.0635(7) 0.7628(7) 0.2439(7) 0.039(2) Uani 1 1 d .
C4 C -0.1046(7) 0.6892(7) 0.1406(7) 0.049(2) Uani 1 1 d .
H4 H -0.1862 0.6853 0.0937 0.059 Uiso 1 1 calc R
C5 C -0.0238(8) 0.6246(8) 0.1107(8) 0.056(3) Uani 1 1 d .
H5 H -0.0488 0.5795 0.0410 0.067 Uiso 1 1 calc R
C6 C 0.0945(8) 0.6251(7) 0.1824(7) 0.050(2) Uani 1 1 d .
H6 H 0.1473 0.5756 0.1638 0.061 Uiso 1 1 calc R
C7 C 0.2671(8) 0.6938(7) 0.3604(7) 0.040(2) Uani 1 1 d .
C8 C 0.3119(7) 0.5722(7) 0.3719(6) 0.0334(19) Uani 1 1 d .
C9 C 0.2500(7) 0.4876(6) 0.4150(6) 0.0316(18) Uani 1 1 d .
C10 C 0.2955(7) 0.3792(6) 0.4318(6) 0.0344(19) Uani 1 1 d .
C11 C 0.4002(7) 0.3549(7) 0.4017(7) 0.042(2) Uani 1 1 d .
H11 H 0.4313 0.2827 0.4133 0.050 Uiso 1 1 calc R
C12 C 0.4566(7) 0.4381(8) 0.3553(7) 0.048(2) Uani 1 1 d .
H12 H 0.5236 0.4201 0.3327 0.057 Uiso 1 1 calc R
C13 C 0.4156(7) 0.5479(7) 0.3414(7) 0.041(2) Uani 1 1 d .
H13 H 0.4562 0.6045 0.3124 0.050 Uiso 1 1 calc R
C14 C 0.1028(7) 0.8547(7) 0.4182(7) 0.0342(19) Uani 1 1 d .
C15 C -0.1613(7) 0.8244(7) 0.2794(7) 0.039(2) Uani 1 1 d .
C16 C 0.1438(8) 0.5251(7) 0.4526(8) 0.038(2) Uani 1 1 d .
C17 C 0.2359(7) 0.2849(7) 0.4838(6) 0.0347(19) Uani 1 1 d .
C18 C 0.8717(8) 1.3021(8) 1.1844(8) 0.055(3) Uani 1 1 d .
H18 H 0.8549 1.3795 1.1921 0.066 Uiso 1 1 calc R
C19 C 0.8340(9) 1.2419(8) 1.0757(7) 0.059(3) Uani 1 1 d .
H19 H 0.7922 1.2796 1.0134 0.071 Uiso 1 1 calc R
C20 C 0.8578(7) 1.1280(7) 1.0601(7) 0.042(2) Uani 1 1 d .
C21 C 0.9210(7) 1.0792(7) 1.1564(7) 0.045(2) Uani 1 1 d .
H21 H 0.9413 1.0027 1.1507 0.054 Uiso 1 1 calc R
C22 C 0.9546(7) 1.1423(7) 1.2611(7) 0.042(2) Uani 1 1 d .
H22 H 0.9964 1.1060 1.3246 0.050 Uiso 1 1 calc R
C23 C 0.8159(8) 1.0616(8) 0.9441(7) 0.058(3) Uani 1 1 d .
H23A H 0.8796 1.0755 0.9092 0.070 Uiso 1 1 calc R
H23B H 0.7423 1.0929 0.8978 0.070 Uiso 1 1 calc R
C24 C 0.7877(8) 0.9302(7) 0.9427(7) 0.057(3) Uani 1 1 d .
H24A H 0.7308 0.9161 0.9849 0.068 Uiso 1 1 calc R
H24B H 0.8635 0.8973 0.9814 0.068 Uiso 1 1 calc R
C25 C 0.7320(7) 0.8665(8) 0.8240(8) 0.057(3) Uani 1 1 d .
H25A H 0.7222 0.7829 0.8300 0.068 Uiso 1 1 calc R
H25B H 0.7887 0.8802 0.7815 0.068 Uiso 1 1 calc R
C26 C 0.6065(7) 0.9058(7) 0.7585(7) 0.044(2) Uani 1 1 d .
C27 C 0.5989(7) 0.9915(8) 0.6861(7) 0.045(2) Uani 1 1 d .
H27 H 0.6704 1.0229 0.6743 0.054 Uiso 1 1 calc R
C28 C 0.4892(7) 1.0319(7) 0.6312(7) 0.039(2) Uani 1 1 d .
H28 H 0.4878 1.0922 0.5850 0.047 Uiso 1 1 calc R
C30 C 0.3884(8) 0.9006(8) 0.7104(8) 0.057(3) Uani 1 1 d .
H30 H 0.3154 0.8670 0.7178 0.069 Uiso 1 1 calc R
C31 C 0.4980(8) 0.8602(8) 0.7702(8) 0.060(3) Uani 1 1 d .
H31 H 0.4983 0.8019 0.8184 0.072 Uiso 1 1 calc R
O1W O 0.6886(7) 0.5285(7) 0.2453(6) 0.100(3) Uani 1 1 d .
H1WA H 0.6833 0.6008 0.2365 0.120 Uiso 1 1 d R
H1WB H 0.7430 0.5278 0.3099 0.120 Uiso 1 1 d R
O2W O 0.4869(18) 0.7887(19) 0.0923(18) 0.050(6) Uani 0.25 1 d PU
H2WA H 0.4627 0.7389 0.1300 0.059 Uiso 0.25 1 d PR
H2WB H 0.5179 0.7487 0.0502 0.059 Uiso 0.25 1 d PR
O3W O 0.476(2) 0.6154(17) 0.9295(17) 0.052(6) Uani 0.25 1 d PU
H3WA H 0.5174 0.5710 0.9015 0.062 Uiso 0.25 1 d PR
H3WB H 0.4189 0.6328 0.8723 0.062 Uiso 0.25 1 d PR
O4W O 0.658(2) 0.463(2) 0.996(2) 0.066(7) Uani 0.25 1 d PU
H4WA H 0.5867 0.4449 1.0001 0.079 Uiso 0.25 1 d PR
H4WB H 0.6458 0.4760 0.9273 0.079 Uiso 0.25 1 d PR
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
O3 Zn1 O2 116.6(2) 2_576 .
O3 Zn1 O9 112.8(2) 2_576 1_565
O2 Zn1 O9 97.9(2) . 1_565
O3 Zn1 N2 115.2(2) 2_576 .
O2 Zn1 N2 109.3(2) . .
O9 Zn1 N2 102.9(2) 1_565 .
O7 Zn2 O8 143.3(2) 2_566 .
O7 Zn2 N1 112.4(3) 2_566 1_444
O8 Zn2 N1 104.3(2) . 1_444
O7 Zn2 O1 87.4(2) 2_566 2_566
O8 Zn2 O1 94.0(2) . 2_566
N1 Zn2 O1 91.0(2) 1_444 2_566
O7 Zn2 O6 89.3(2) 2_566 .
O8 Zn2 O6 86.6(2) . .
N1 Zn2 O6 93.2(2) 1_444 .
O1 Zn2 O6 175.4(2) 2_566 .
C18 N1 C22 116.7(7) . .
C18 N1 Zn2 123.0(6) . 1_666
C22 N1 Zn2 120.0(6) . 1_666
C30 N2 C28 117.7(7) . .
C30 N2 Zn1 124.5(6) . .
C28 N2 Zn1 117.9(6) . .
C14 O1 Zn2 134.4(5) . 2_566
C14 O2 Zn1 114.4(5) . .
C15 O3 Zn1 115.1(5) . 2_576
C16 O6 Zn2 112.0(5) . .
C16 O7 Zn2 110.4(5) . 2_566
C17 O8 Zn2 136.0(5) . .
C17 O9 Zn1 125.0(5) . 1_545
C2 C1 C6 119.5(7) . .
C2 C1 C7 122.4(7) . .
C6 C1 C7 118.1(7) . .
C3 C2 C1 118.6(7) . .
C3 C2 C14 121.9(7) . .
C1 C2 C14 119.5(7) . .
C2 C3 C4 121.3(7) . .
C2 C3 C15 121.5(7) . .
C4 C3 C15 117.1(7) . .
C5 C4 C3 119.3(8) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 120.4(8) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C5 C6 C1 120.6(8) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
O5 C7 C1 123.9(7) . .
O5 C7 C8 119.7(8) . .
C1 C7 C8 116.4(7) . .
C9 C8 C13 121.0(7) . .
C9 C8 C7 119.4(6) . .
C13 C8 C7 119.6(7) . .
C10 C9 C8 119.2(6) . .
C10 C9 C16 123.5(7) . .
C8 C9 C16 116.9(7) . .
C9 C10 C11 119.7(7) . .
C9 C10 C17 121.9(7) . .
C11 C10 C17 118.4(7) . .
C12 C11 C10 119.9(8) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 121.3(7) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
C12 C13 C8 118.7(8) . .
C12 C13 H13 120.7 . .
C8 C13 H13 120.7 . .
O2 C14 O1 121.7(7) . .
O2 C14 C2 117.1(7) . .
O1 C14 C2 121.1(7) . .
O4 C15 O3 125.4(7) . .
O4 C15 C3 119.3(7) . .
O3 C15 C3 115.3(7) . .
O6 C16 O7 124.8(7) . .
O6 C16 C9 121.1(7) . .
O7 C16 C9 114.0(7) . .
O9 C17 O8 124.7(8) . .
O9 C17 C10 116.3(7) . .
O8 C17 C10 118.9(7) . .
N1 C18 C19 122.5(8) . .
N1 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C20 C19 C18 120.8(9) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C19 C20 C21 115.9(8) . .
C19 C20 C23 121.4(8) . .
C21 C20 C23 122.7(8) . .
C20 C21 C22 120.7(8) . .
C20 C21 H21 119.7 . .
C22 C21 H21 119.7 . .
N1 C22 C21 123.4(8) . .
N1 C22 H22 118.3 . .
C21 C22 H22 118.3 . .
C20 C23 C24 114.9(8) . .
C20 C23 H23A 108.6 . .
C24 C23 H23A 108.6 . .
C20 C23 H23B 108.6 . .
C24 C23 H23B 108.6 . .
H23A C23 H23B 107.5 . .
C23 C24 C25 114.0(8) . .
C23 C24 H24A 108.8 . .
C25 C24 H24A 108.8 . .
C23 C24 H24B 108.8 . .
C25 C24 H24B 108.8 . .
H24A C24 H24B 107.7 . .
C24 C25 C26 112.9(7) . .
C24 C25 H25A 109.0 . .
C26 C25 H25A 109.0 . .
C24 C25 H25B 109.0 . .
C26 C25 H25B 109.0 . .
H25A C25 H25B 107.8 . .
C31 C26 C27 116.8(8) . .
C31 C26 C25 122.6(8) . .
C27 C26 C25 120.6(8) . .
C28 C27 C26 121.6(8) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
N2 C28 C27 121.2(8) . .
N2 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
N2 C30 C31 122.7(8) . .
N2 C30 H30 118.6 . .
C31 C30 H30 118.6 . .
C26 C31 C30 119.9(8) . .
C26 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
H1WA O1W H1WB 104.5 . .
H2WA O2W H2WB 104.5 . .
H3WA O3W H3WB 104.5 . .
H4WA O4W H4WB 104.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.933(5) 2_576
Zn1 O2 1.976(5) .
Zn1 O9 1.978(5) 1_565
Zn1 N2 2.011(6) .
Zn2 O7 2.000(5) 2_566
Zn2 O8 2.005(5) .
Zn2 N1 2.023(7) 1_444
Zn2 O1 2.096(5) 2_566
Zn2 O6 2.150(5) .
N1 C18 1.322(10) .
N1 C22 1.336(10) .
N1 Zn2 2.023(7) 1_666
N2 C30 1.332(10) .
N2 C28 1.347(9) .
O1 C14 1.269(9) .
O1 Zn2 2.096(5) 2_566
O2 C14 1.262(9) .
O3 C15 1.278(9) .
O3 Zn1 1.933(5) 2_576
O4 C15 1.237(9) .
O5 C7 1.219(9) .
O6 C16 1.232(9) .
O7 C16 1.273(9) .
O7 Zn2 2.000(5) 2_566
O8 C17 1.267(8) .
O9 C17 1.264(9) .
O9 Zn1 1.978(5) 1_545
C1 C2 1.400(10) .
C1 C6 1.400(10) .
C1 C7 1.508(11) .
C2 C3 1.361(10) .
C2 C14 1.498(10) .
C3 C4 1.416(10) .
C3 C15 1.531(10) .
C4 C5 1.353(11) .
C4 H4 0.9300 .
C5 C6 1.368(11) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.526(10) .
C8 C9 1.395(10) .
C8 C13 1.400(10) .
C9 C10 1.390(10) .
C9 C16 1.516(10) .
C10 C11 1.407(10) .
C10 C17 1.526(10) .
C11 C12 1.374(11) .
C11 H11 0.9300 .
C12 C13 1.383(11) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C18 C19 1.399(11) .
C18 H18 0.9300 .
C19 C20 1.371(11) .
C19 H19 0.9300 .
C20 C21 1.373(11) .
C20 C23 1.504(11) .
C21 C22 1.375(10) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.520(11) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.523(11) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.533(10) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C31 1.369(11) .
C26 C27 1.370(11) .
C27 C28 1.361(10) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C30 C31 1.376(11) .
C30 H30 0.9300 .
C31 H31 0.9300 .
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
O2W H2WA 0.8500 .
O2W H2WB 0.8500 .
O3W H3WA 0.8500 .
O3W H3WB 0.8500 .
O4W H4WA 0.8500 .
O4W H4WB 0.8500 .
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 H1WA O4 0.85 2.15 2.970(10) 162.8 1_655
O1W H1WB O7 0.85 2.36 3.081(10) 142.9 2_666
O2W H2WB O3W 0.85 1.99 2.71(3) 142.2 1_554
O3W H3WA O4W 0.85 2.20 2.79(3) 126.2 .
O3W H3WB O1W 0.85 2.29 2.74(2) 112.9 2_666
O4W H4WA O3W 0.85 1.48 2.20(3) 141.4 2_667
O4W H4WA O3W 0.85 2.48 2.79(3) 102.6 .
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
O3 Zn1 N2 C30 47.0(8) 2_576
O2 Zn1 N2 C30 -86.6(7) .
O9 Zn1 N2 C30 170.2(7) 1_565
O3 Zn1 N2 C28 -132.5(5) 2_576
O2 Zn1 N2 C28 93.9(6) .
O9 Zn1 N2 C28 -9.3(6) 1_565
O3 Zn1 O2 C14 -62.8(5) 2_576
O9 Zn1 O2 C14 176.7(5) 1_565
N2 Zn1 O2 C14 70.0(5) .
O7 Zn2 O6 C16 127.3(5) 2_566
O8 Zn2 O6 C16 -16.2(6) .
N1 Zn2 O6 C16 -120.3(6) 1_444
O7 Zn2 O8 C17 -155.5(7) 2_566
N1 Zn2 O8 C17 21.2(8) 1_444
O1 Zn2 O8 C17 113.3(7) 2_566
O6 Zn2 O8 C17 -71.2(7) .
C6 C1 C2 C3 4.4(11) .
C7 C1 C2 C3 -172.9(7) .
C6 C1 C2 C14 -178.0(7) .
C7 C1 C2 C14 4.6(11) .
C1 C2 C3 C4 -6.0(12) .
C14 C2 C3 C4 176.6(8) .
C1 C2 C3 C15 169.8(7) .
C14 C2 C3 C15 -7.6(12) .
C2 C3 C4 C5 2.0(13) .
C15 C3 C4 C5 -174.0(8) .
C3 C4 C5 C6 3.7(14) .
C4 C5 C6 C1 -5.2(14) .
C2 C1 C6 C5 1.1(12) .
C7 C1 C6 C5 178.5(8) .
C2 C1 C7 O5 -39.5(12) .
C6 C1 C7 O5 143.1(8) .
C2 C1 C7 C8 138.2(7) .
C6 C1 C7 C8 -39.2(10) .
O5 C7 C8 C9 117.2(8) .
C1 C7 C8 C9 -60.6(10) .
O5 C7 C8 C13 -61.5(11) .
C1 C7 C8 C13 120.7(8) .
C13 C8 C9 C10 2.6(11) .
C7 C8 C9 C10 -176.1(7) .
C13 C8 C9 C16 176.2(8) .
C7 C8 C9 C16 -2.5(11) .
C8 C9 C10 C11 -2.2(11) .
C16 C9 C10 C11 -175.3(8) .
C8 C9 C10 C17 177.1(6) .
C16 C9 C10 C17 3.9(12) .
C9 C10 C11 C12 -0.4(12) .
C17 C10 C11 C12 -179.7(7) .
C10 C11 C12 C13 2.7(13) .
C11 C12 C13 C8 -2.3(13) .
C9 C8 C13 C12 -0.4(12) .
C7 C8 C13 C12 178.3(8) .
Zn1 O2 C14 O1 3.6(9) .
Zn1 O2 C14 C2 -172.5(5) .
Zn2 O1 C14 O2 176.5(5) 2_566
Zn2 O1 C14 C2 -7.6(11) 2_566
C3 C2 C14 O2 -92.3(9) .
C1 C2 C14 O2 90.3(9) .
C3 C2 C14 O1 91.6(10) .
C1 C2 C14 O1 -85.8(9) .
Zn1 O3 C15 O4 21.0(11) 2_576
Zn1 O3 C15 C3 -156.0(5) 2_576
C2 C3 C15 O4 -156.2(8) .
C4 C3 C15 O4 19.8(12) .
C2 C3 C15 O3 21.1(12) .
C4 C3 C15 O3 -163.0(7) .
Zn2 O6 C16 O7 -94.6(8) .
Zn2 O6 C16 C9 89.5(8) .
Zn2 O7 C16 O6 -10.7(10) 2_566
Zn2 O7 C16 C9 165.5(5) 2_566
C10 C9 C16 O6 -82.5(11) .
C8 C9 C16 O6 104.2(9) .
C10 C9 C16 O7 101.1(9) .
C8 C9 C16 O7 -72.2(9) .
Zn1 O9 C17 O8 6.0(11) 1_545
Zn1 O9 C17 C10 -177.2(4) 1_545
Zn2 O8 C17 O9 -113.6(9) .
Zn2 O8 C17 C10 69.7(9) .
C9 C10 C17 O9 -178.3(7) .
C11 C10 C17 O9 1.0(11) .
C9 C10 C17 O8 -1.3(11) .
C11 C10 C17 O8 177.9(7) .
C22 N1 C18 C19 1.4(13) .
Zn2 N1 C18 C19 -172.3(7) 1_666
N1 C18 C19 C20 -0.7(15) .
C18 C19 C20 C21 -0.7(13) .
C18 C19 C20 C23 178.9(8) .
C19 C20 C21 C22 1.4(13) .
C23 C20 C21 C22 -178.2(8) .
C18 N1 C22 C21 -0.7(12) .
Zn2 N1 C22 C21 173.2(6) 1_666
C20 C21 C22 N1 -0.7(13) .
C19 C20 C23 C24 -150.0(9) .
C21 C20 C23 C24 29.6(12) .
C20 C23 C24 C25 173.6(7) .
C23 C24 C25 C26 -62.7(10) .
C24 C25 C26 C31 -84.2(10) .
C24 C25 C26 C27 94.5(10) .
C31 C26 C27 C28 1.9(13) .
C25 C26 C27 C28 -176.8(7) .
C30 N2 C28 C27 0.8(12) .
Zn1 N2 C28 C27 -179.7(6) .
C26 C27 C28 N2 -2.5(12) .
C28 N2 C30 C31 1.4(14) .
Zn1 N2 C30 C31 -178.1(7) .
C27 C26 C31 C30 0.2(14) .
C25 C26 C31 C30 178.9(8) .
N2 C30 C31 C26 -1.8(15) .
