#------------------------------------------------------------------------------
#$Date: 2016-04-05 18:33:54 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181619 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/45/7224535.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_7224535
loop_
_publ_author_name
'Guo, Xianmin'
'Yan, Yongnian'
'Guo, Huadong'
'Qi, Yanjuan'
'Liu, Chunming'
_publ_section_title
;
 Seven entangled coordination polymers assembled from triphenylamine-based
 bisimidazole and dicarboxylates: interpenetration, self-penetration and
 mixed entanglement
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2546
_journal_paper_doi               10.1039/C6CE00102E
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C38 H27 N5 O6 S Zn'
_chemical_formula_sum            'C38 H27 N5 O6 S Zn'
_chemical_formula_weight         747.08
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-01-13 deposited with the CCDC.
2016-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.708(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4761(5)
_cell_length_b                   18.3130(14)
_cell_length_c                   25.1258(18)
_cell_measurement_reflns_used    8483
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.61
_cell_volume                     3432.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  '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  0.0695
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            25206
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8483
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1323
_refine_ls_R_factor_gt           0.0521
_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)+(0.0669P)²+0.2863P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                4340
_reflns_number_total             8483
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce00102e2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224535--7224541.cif.
;
_cod_original_sg_symbol_H-M      p21/n
_cod_database_code               7224535
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.9028(5) -0.0487(2) 0.10133(15) 0.0396(9) Uani 1 1 d .
C2 C 1.0455(4) -0.1038(2) 0.08972(13) 0.0338(8) Uani 1 1 d .
C3 C 1.0904(5) -0.1584(2) 0.12499(15) 0.0459(10) Uani 1 1 d .
H3 H 1.0362 -0.1602 0.1573 0.055 Uiso 1 1 calc R
C4 C 1.2137(5) -0.2109(2) 0.11384(15) 0.0493(11) Uani 1 1 d .
H4 H 1.2426 -0.2479 0.1383 0.059 Uiso 1 1 calc R
C5 C 1.2942(5) -0.2082(2) 0.06616(14) 0.0383(9) Uani 1 1 d .
C6 C 1.2547(5) -0.1528(2) 0.03072(15) 0.0483(11) Uani 1 1 d .
H6 H 1.3128 -0.1502 -0.0008 0.058 Uiso 1 1 calc R
C7 C 1.1283(5) -0.1007(2) 0.04186(15) 0.0466(10) Uani 1 1 d .
H7 H 1.0990 -0.0638 0.0174 0.056 Uiso 1 1 calc R
C8 C 1.5501(5) -0.3105(2) 0.10631(16) 0.0438(10) Uani 1 1 d .
C9 C 1.4670(6) -0.3603(2) 0.13675(18) 0.0576(12) Uani 1 1 d .
H9 H 1.3506 -0.3754 0.1272 0.069 Uiso 1 1 calc R
C10 C 1.5574(6) -0.3878(2) 0.18173(19) 0.0585(12) Uani 1 1 d .
H10 H 1.5002 -0.4206 0.2032 0.070 Uiso 1 1 calc R
C11 C 1.7332(5) -0.3671(2) 0.19560(15) 0.0451(10) Uani 1 1 d .
C12 C 1.8138(5) -0.3175(2) 0.16394(17) 0.0520(11) Uani 1 1 d .
H12 H 1.9315 -0.3033 0.1726 0.062 Uiso 1 1 calc R
C13 C 1.7221(6) -0.2884(2) 0.11924(16) 0.0520(11) Uani 1 1 d .
H13 H 1.7769 -0.2543 0.0983 0.062 Uiso 1 1 calc R
C14 C 1.8350(6) -0.4015(2) 0.24318(17) 0.0523(11) Uani 1 1 d .
C15 C 0.4416(6) 0.0448(3) 0.06648(16) 0.0563(12) Uani 1 1 d .
H15 H 0.5121 0.0170 0.0451 0.068 Uiso 1 1 calc R
C16 C 0.2994(6) 0.0851(3) 0.04869(17) 0.0618(13) Uani 1 1 d .
H16 H 0.2543 0.0903 0.0135 0.074 Uiso 1 1 calc R
C17 C 0.3389(5) 0.0950(2) 0.13477(15) 0.0423(10) Uani 1 1 d .
H17 H 0.3233 0.1092 0.1697 0.051 Uiso 1 1 calc R
C18 C 0.0965(4) 0.1721(2) 0.09411(14) 0.0361(9) Uani 1 1 d .
C19 C -0.0222(5) 0.1705(2) 0.13368(15) 0.0408(9) Uani 1 1 d .
H19 H -0.0269 0.1304 0.1562 0.049 Uiso 1 1 calc R
C20 C -0.1350(5) 0.2299(2) 0.13935(15) 0.0407(9) Uani 1 1 d .
H20 H -0.2135 0.2299 0.1666 0.049 Uiso 1 1 calc R
C21 C -0.1325(4) 0.2894(2) 0.10496(15) 0.0367(9) Uani 1 1 d .
C22 C -0.0223(5) 0.2859(2) 0.06227(14) 0.0415(9) Uani 1 1 d .
H22 H -0.0273 0.3228 0.0368 0.050 Uiso 1 1 calc R
C23 C 0.0935(5) 0.2282(2) 0.05748(14) 0.0406(9) Uani 1 1 d .
H23 H 0.1695 0.2272 0.0296 0.049 Uiso 1 1 calc R
C24 C -0.3766(5) 0.3540(2) 0.14714(16) 0.0408(9) Uani 1 1 d .
C25 C -0.5196(5) 0.3069(2) 0.13942(17) 0.0515(11) Uani 1 1 d .
H25 H -0.5207 0.2721 0.1124 0.062 Uiso 1 1 calc R
C26 C -0.6614(5) 0.3114(2) 0.17200(17) 0.0489(11) Uani 1 1 d .
H26 H -0.7586 0.2800 0.1666 0.059 Uiso 1 1 calc R
C27 C -0.6593(5) 0.3625(2) 0.21251(15) 0.0390(9) Uani 1 1 d .
C28 C -0.5137(5) 0.4087(2) 0.22108(15) 0.0451(10) Uani 1 1 d .
H28 H -0.5099 0.4422 0.2490 0.054 Uiso 1 1 calc R
C29 C -0.3750(5) 0.4046(2) 0.18791(15) 0.0447(10) Uani 1 1 d .
H29 H -0.2784 0.4364 0.1930 0.054 Uiso 1 1 calc R
C30 C -0.9252(5) 0.3166(2) 0.25979(17) 0.0517(11) Uani 1 1 d .
H30 H -0.9194 0.2671 0.2519 0.062 Uiso 1 1 calc R
C31 C -1.0469(5) 0.3497(2) 0.28852(16) 0.0505(11) Uani 1 1 d .
H31 H -1.1406 0.3265 0.3042 0.061 Uiso 1 1 calc R
C32 C -0.8700(5) 0.4331(2) 0.26371(15) 0.0448(10) Uani 1 1 d .
H32 H -0.8173 0.4784 0.2584 0.054 Uiso 1 1 calc R
C33 C -0.1764(6) 0.4221(2) 0.09305(16) 0.0500(11) Uani 1 1 d .
C34 C -0.2976(7) 0.4674(3) 0.06563(18) 0.0705(14) Uani 1 1 d .
H34 H -0.4159 0.4526 0.0587 0.085 Uiso 1 1 calc R
C35 C -0.2417(13) 0.5349(4) 0.0485(2) 0.103(2) Uani 1 1 d .
H35 H -0.3246 0.5658 0.0309 0.124 Uiso 1 1 calc R
C36 C -0.0722(15) 0.5569(4) 0.0565(3) 0.124(3) Uani 1 1 d .
H36 H -0.0377 0.6023 0.0442 0.148 Uiso 1 1 calc R
C37 C 0.0490(11) 0.5131(4) 0.0823(3) 0.108(2) Uani 1 1 d .
H37 H 0.1677 0.5281 0.0873 0.130 Uiso 1 1 calc R
C38 C -0.0021(7) 0.4450(3) 0.1019(2) 0.0716(14) Uani 1 1 d .
H38 H 0.0814 0.4156 0.1207 0.086 Uiso 1 1 calc R
N1 N 0.4669(4) 0.05088(17) 0.12065(12) 0.0400(8) Uani 1 1 d .
N2 N 0.2348(4) 0.11671(17) 0.09262(11) 0.0378(7) Uani 1 1 d .
N3 N -0.2337(4) 0.35301(18) 0.11227(13) 0.0453(8) Uani 1 1 d .
N4 N -0.8103(4) 0.37033(17) 0.24418(12) 0.0412(8) Uani 1 1 d .
N5 N -1.0116(4) 0.42344(18) 0.29114(12) 0.0426(8) Uani 1 1 d .
O1 O 0.8545(4) -0.00297(18) 0.06855(12) 0.0739(10) Uani 1 1 d .
O2 O 0.8387(4) -0.05664(18) 0.14623(11) 0.0646(9) Uani 1 1 d .
O3 O 1.7368(4) -0.43687(17) 0.27468(11) 0.0608(8) Uani 1 1 d .
O4 O 1.9984(4) -0.39644(19) 0.24869(12) 0.0745(10) Uani 1 1 d .
O5 O 1.3205(5) -0.33984(19) 0.02794(13) 0.0845(11) Uani 1 1 d .
O6 O 1.5597(5) -0.2505(2) 0.01332(13) 0.0894(13) Uani 1 1 d .
S1 S 1.43397(16) -0.28020(7) 0.04714(4) 0.0560(3) Uani 1 1 d .
Zn1 Zn 0.64544(5) 0.00184(2) 0.170273(16) 0.03613(13) 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'
S S 0.1246 0.1234 '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 C1 O2 125.0(4) . .
O1 C1 C2 120.9(3) . .
O2 C1 C2 114.1(3) . .
C3 C2 C7 119.2(3) . .
C3 C2 C1 120.8(3) . .
C7 C2 C1 120.0(3) . .
C2 C3 C4 121.4(3) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C3 C4 C5 119.3(4) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C6 C5 C4 120.3(3) . .
C6 C5 S1 118.9(3) . .
C4 C5 S1 120.5(3) . .
C5 C6 C7 120.0(3) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 119.7(3) . .
C6 C7 H7 120.1 . .
C2 C7 H7 120.1 . .
C9 C8 C13 121.3(4) . .
C9 C8 S1 117.8(3) . .
C13 C8 S1 120.8(3) . .
C8 C9 C10 119.2(4) . .
C8 C9 H9 120.4 . .
C10 C9 H9 120.4 . .
C9 C10 C11 120.9(4) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C12 C11 C10 118.6(4) . .
C12 C11 C14 121.1(4) . .
C10 C11 C14 120.3(4) . .
C11 C12 C13 120.8(4) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C8 C13 C12 119.2(4) . .
C8 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
O4 C14 O3 124.9(4) . .
O4 C14 C11 120.4(4) . .
O3 C14 C11 114.7(4) . .
C16 C15 N1 110.0(3) . .
C16 C15 H15 125.0 . .
N1 C15 H15 125.0 . .
C15 C16 N2 106.1(4) . .
C15 C16 H16 126.9 . .
N2 C16 H16 126.9 . .
N1 C17 N2 111.4(3) . .
N1 C17 H17 124.3 . .
N2 C17 H17 124.3 . .
C19 C18 C23 120.9(3) . .
C19 C18 N2 119.9(3) . .
C23 C18 N2 119.0(3) . .
C18 C19 C20 118.8(4) . .
C18 C19 H19 120.6 . .
C20 C19 H19 120.6 . .
C19 C20 C21 121.1(3) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C20 C21 C22 118.3(3) . .
C20 C21 N3 122.6(3) . .
C22 C21 N3 119.1(3) . .
C23 C22 C21 120.6(4) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C18 119.8(3) . .
C22 C23 H23 120.1 . .
C18 C23 H23 120.1 . .
C25 C24 C29 119.6(4) . .
C25 C24 N3 120.7(4) . .
C29 C24 N3 119.6(3) . .
C24 C25 C26 119.8(4) . .
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 . .
C27 C26 C25 120.3(4) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 120.0(3) . .
C26 C27 N4 120.4(3) . .
C28 C27 N4 119.5(3) . .
C29 C28 C27 119.2(4) . .
C29 C28 H28 120.4 . .
C27 C28 H28 120.4 . .
C28 C29 C24 121.1(4) . .
C28 C29 H29 119.5 . .
C24 C29 H29 119.5 . .
C31 C30 N4 106.7(4) . .
C31 C30 H30 126.7 . .
N4 C30 H30 126.7 . .
C30 C31 N5 109.6(3) . .
C30 C31 H31 125.2 . .
N5 C31 H31 125.2 . .
N5 C32 N4 112.1(3) . .
N5 C32 H32 124.0 . .
N4 C32 H32 124.0 . .
C38 C33 C34 118.9(5) . .
C38 C33 N3 121.1(4) . .
C34 C33 N3 119.9(4) . .
C33 C34 C35 119.4(6) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
C36 C35 C34 121.8(7) . .
C36 C35 H35 119.1 . .
C34 C35 H35 119.1 . .
C35 C36 C37 119.8(7) . .
C35 C36 H36 120.1 . .
C37 C36 H36 120.1 . .
C36 C37 C38 120.6(7) . .
C36 C37 H37 119.7 . .
C38 C37 H37 119.7 . .
C33 C38 C37 119.5(6) . .
C33 C38 H38 120.3 . .
C37 C38 H38 120.3 . .
C17 N1 C15 105.2(3) . .
C17 N1 Zn1 125.4(2) . .
C15 N1 Zn1 129.3(2) . .
C17 N2 C16 107.3(3) . .
C17 N2 C18 124.6(3) . .
C16 N2 C18 127.5(3) . .
C21 N3 C24 121.4(3) . .
C21 N3 C33 120.9(3) . .
C24 N3 C33 116.6(3) . .
C32 N4 C30 106.3(3) . .
C32 N4 C27 125.8(3) . .
C30 N4 C27 127.9(3) . .
C32 N5 C31 105.5(3) . .
C32 N5 Zn1 126.4(3) . 2_455
C31 N5 Zn1 128.1(2) . 2_455
C1 O2 Zn1 123.5(3) . .
C14 O3 Zn1 118.5(3) . 2_745
O6 S1 O5 119.2(2) . .
O6 S1 C8 108.5(2) . .
O5 S1 C8 106.9(2) . .
O6 S1 C5 107.6(2) . .
O5 S1 C5 107.99(19) . .
C8 S1 C5 105.92(18) . .
O2 Zn1 O3 103.26(14) . 2_755
O2 Zn1 N1 122.88(12) . .
O3 Zn1 N1 116.16(13) 2_755 .
O2 Zn1 N5 99.16(13) . 2_445
O3 Zn1 N5 106.41(13) 2_755 2_445
N1 Zn1 N5 106.73(13) . 2_445
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.213(4) .
C1 O2 1.262(4) .
C1 C2 1.510(5) .
C2 C3 1.365(5) .
C2 C7 1.389(5) .
C3 C4 1.373(5) .
C3 H3 0.9300 .
C4 C5 1.376(5) .
C4 H4 0.9300 .
C5 C6 1.369(5) .
C5 S1 1.767(4) .
C6 C7 1.384(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.365(6) .
C8 C13 1.367(5) .
C8 S1 1.762(4) .
C9 C10 1.374(6) .
C9 H9 0.9300 .
C10 C11 1.390(5) .
C10 H10 0.9300 .
C11 C12 1.372(5) .
C11 C14 1.512(5) .
C12 C13 1.384(5) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O4 1.224(5) .
C14 O3 1.289(5) .
C15 C16 1.347(5) .
C15 N1 1.366(5) .
C15 H15 0.9300 .
C16 N2 1.362(5) .
C16 H16 0.9300 .
C17 N1 1.318(4) .
C17 N2 1.334(4) .
C17 H17 0.9300 .
C18 C19 1.375(5) .
C18 C23 1.380(5) .
C18 N2 1.450(4) .
C19 C20 1.390(5) .
C19 H19 0.9300 .
C20 C21 1.391(5) .
C20 H20 0.9300 .
C21 C22 1.396(5) .
C21 N3 1.408(4) .
C22 C23 1.375(5) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.378(5) .
C24 C29 1.381(5) .
C24 N3 1.425(4) .
C25 C26 1.383(5) .
C25 H25 0.9300 .
C26 C27 1.381(5) .
C26 H26 0.9300 .
C27 C28 1.385(5) .
C27 N4 1.430(4) .
C28 C29 1.374(5) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.343(5) .
C30 N4 1.380(5) .
C30 H30 0.9300 .
C31 N5 1.376(5) .
C31 H31 0.9300 .
C32 N5 1.312(4) .
C32 N4 1.339(5) .
C32 H32 0.9300 .
C33 C38 1.373(6) .
C33 C34 1.379(6) .
C33 N3 1.430(5) .
C34 C35 1.383(8) .
C34 H34 0.9300 .
C35 C36 1.332(10) .
C35 H35 0.9300 .
C36 C37 1.345(10) .
C36 H36 0.9300 .
C37 C38 1.402(8) .
C37 H37 0.9300 .
C38 H38 0.9300 .
N1 Zn1 1.982(3) .
N5 Zn1 2.032(3) 2_455
O2 Zn1 1.927(3) .
O3 Zn1 1.947(3) 2_745
O5 S1 1.447(4) .
O6 S1 1.416(3) .
Zn1 O3 1.947(3) 2_755
Zn1 N5 2.032(3) 2_445
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_4
O1 C1 C2 C3 -175.1(4) .
O2 C1 C2 C3 2.9(5) .
O1 C1 C2 C7 2.6(6) .
O2 C1 C2 C7 -179.4(4) .
C7 C2 C3 C4 -0.8(6) .
C1 C2 C3 C4 176.9(4) .
C2 C3 C4 C5 0.2(7) .
C3 C4 C5 C6 1.5(6) .
C3 C4 C5 S1 -172.8(3) .
C4 C5 C6 C7 -2.4(6) .
S1 C5 C6 C7 171.9(3) .
C5 C6 C7 C2 1.8(6) .
C3 C2 C7 C6 -0.1(6) .
C1 C2 C7 C6 -177.9(4) .
C13 C8 C9 C10 1.1(7) .
S1 C8 C9 C10 176.8(3) .
C8 C9 C10 C11 -1.9(7) .
C9 C10 C11 C12 1.3(7) .
C9 C10 C11 C14 -176.0(4) .
C10 C11 C12 C13 0.2(6) .
C14 C11 C12 C13 177.5(4) .
C9 C8 C13 C12 0.3(6) .
S1 C8 C13 C12 -175.2(3) .
C11 C12 C13 C8 -1.0(6) .
C12 C11 C14 O4 -13.7(6) .
C10 C11 C14 O4 163.5(4) .
C12 C11 C14 O3 168.5(4) .
C10 C11 C14 O3 -14.3(6) .
N1 C15 C16 N2 -0.1(6) .
C23 C18 C19 C20 -5.9(6) .
N2 C18 C19 C20 170.1(3) .
C18 C19 C20 C21 1.7(6) .
C19 C20 C21 C22 4.3(6) .
C19 C20 C21 N3 -174.4(3) .
C20 C21 C22 C23 -6.3(5) .
N3 C21 C22 C23 172.5(3) .
C21 C22 C23 C18 2.3(6) .
C19 C18 C23 C22 3.9(6) .
N2 C18 C23 C22 -172.1(3) .
C29 C24 C25 C26 1.1(6) .
N3 C24 C25 C26 -176.6(4) .
C24 C25 C26 C27 -0.7(6) .
C25 C26 C27 C28 -0.8(6) .
C25 C26 C27 N4 176.2(4) .
C26 C27 C28 C29 1.9(6) .
N4 C27 C28 C29 -175.1(3) .
C27 C28 C29 C24 -1.6(6) .
C25 C24 C29 C28 0.1(6) .
N3 C24 C29 C28 177.7(4) .
N4 C30 C31 N5 0.3(5) .
C38 C33 C34 C35 -1.0(7) .
N3 C33 C34 C35 178.3(4) .
C33 C34 C35 C36 1.8(9) .
C34 C35 C36 C37 -0.7(12) .
C35 C36 C37 C38 -1.2(11) .
C34 C33 C38 C37 -0.8(7) .
N3 C33 C38 C37 179.9(4) .
C36 C37 C38 C33 2.0(9) .
N2 C17 N1 C15 0.2(5) .
N2 C17 N1 Zn1 -177.0(2) .
C16 C15 N1 C17 0.0(5) .
C16 C15 N1 Zn1 177.0(3) .
N1 C17 N2 C16 -0.3(5) .
N1 C17 N2 C18 -172.1(3) .
C15 C16 N2 C17 0.2(5) .
C15 C16 N2 C18 171.8(4) .
C19 C18 N2 C17 -46.3(5) .
C23 C18 N2 C17 129.7(4) .
C19 C18 N2 C16 143.5(4) .
C23 C18 N2 C16 -40.5(6) .
C20 C21 N3 C24 -15.5(6) .
C22 C21 N3 C24 165.8(3) .
C20 C21 N3 C33 152.7(4) .
C22 C21 N3 C33 -26.0(5) .
C25 C24 N3 C21 -58.3(5) .
C29 C24 N3 C21 124.1(4) .
C25 C24 N3 C33 133.0(4) .
C29 C24 N3 C33 -44.6(5) .
C38 C33 N3 C21 -46.6(6) .
C34 C33 N3 C21 134.0(4) .
C38 C33 N3 C24 122.1(4) .
C34 C33 N3 C24 -57.2(5) .
N5 C32 N4 C30 1.0(5) .
N5 C32 N4 C27 179.7(3) .
C31 C30 N4 C32 -0.8(5) .
C31 C30 N4 C27 -179.4(4) .
C26 C27 N4 C32 -144.2(4) .
C28 C27 N4 C32 32.8(6) .
C26 C27 N4 C30 34.2(6) .
C28 C27 N4 C30 -148.7(4) .
N4 C32 N5 C31 -0.9(5) .
N4 C32 N5 Zn1 178.4(2) 2_455
C30 C31 N5 C32 0.3(5) .
C30 C31 N5 Zn1 -178.9(3) 2_455
O1 C1 O2 Zn1 1.6(6) .
C2 C1 O2 Zn1 -176.3(2) .
O4 C14 O3 Zn1 -8.8(6) 2_745
C11 C14 O3 Zn1 168.9(2) 2_745
C9 C8 S1 O6 -160.0(3) .
C13 C8 S1 O6 15.7(4) .
C9 C8 S1 O5 -30.3(4) .
C13 C8 S1 O5 145.4(3) .
C9 C8 S1 C5 84.6(4) .
C13 C8 S1 C5 -99.7(4) .
C6 C5 S1 O6 33.3(4) .
C4 C5 S1 O6 -152.4(3) .
C6 C5 S1 O5 -96.6(4) .
C4 C5 S1 O5 77.7(4) .
C6 C5 S1 C8 149.2(3) .
C4 C5 S1 C8 -36.4(4) .
C1 O2 Zn1 O3 -108.8(3) 2_755
C1 O2 Zn1 N1 25.0(4) .
C1 O2 Zn1 N5 141.8(3) 2_445
C17 N1 Zn1 O2 -175.6(3) .
C15 N1 Zn1 O2 7.9(4) .
C17 N1 Zn1 O3 -47.2(4) 2_755
C15 N1 Zn1 O3 136.3(4) 2_755
C17 N1 Zn1 N5 71.3(3) 2_445
C15 N1 Zn1 N5 -105.2(4) 2_445
