#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:44:19 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/74/7227410.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_7227410
loop_
_publ_author_name
'Xu, Guohong'
'Tang, Bei-bei'
'Hao, Liang'
'Liu, Gui-lei'
'Li, Hui'
_publ_section_title
;
 Ligand-dependent assembly of dinuclear, linear tetranuclear and
 one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              781
_journal_paper_doi               10.1039/C6CE02292H
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C42 H44 N6 O21 S Zn4'
_chemical_formula_weight         1262.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-05-13 deposited with the CCDC.
2017-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 129.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.142(8)
_cell_length_b                   11.411(2)
_cell_length_c                   29.647(6)
_cell_measurement_temperature    153.1500
_cell_volume                     9893(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153.1500
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            57944
_diffrn_reflns_theta_full        29.19
_diffrn_reflns_theta_max         29.19
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    2.044
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7669
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             5136
_exptl_crystal_size_max          0.1700
_exptl_crystal_size_mid          0.1100
_exptl_crystal_size_min          0.0650
_refine_diff_density_max         1.514
_refine_diff_density_min         -1.798
_refine_diff_density_rms         0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         13281
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0730
_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)+(0.1181P)²+44.0642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2008
_refine_ls_wR_factor_ref         0.2215
_reflns_number_gt                10843
_reflns_number_total             13281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce02292h2.cif
_cod_data_source_block           bo2319
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7227408--7227410.cif.
;
_cod_original_cell_volume        9893(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7227410
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
N4 N 0.74888(14) 0.6716(4) 0.37834(19) 0.0370(9) Uani 1 1 d .
C1 C 1.12051(16) 0.6274(4) 0.7713(2) 0.0308(9) Uani 1 1 d .
C2 C 1.14799(17) 0.6002(5) 0.8321(2) 0.0362(10) Uani 1 1 d .
C3 C 1.13020(19) 0.5403(5) 0.8540(2) 0.0425(12) Uani 1 1 d .
H3 H 1.1489 0.5222 0.8939 0.051 Uiso 1 1 calc R
C4 C 1.0842(2) 0.5071(6) 0.8165(3) 0.0478(14) Uani 1 1 d .
H4 H 1.0721 0.4679 0.8313 0.057 Uiso 1 1 calc R
C5 C 1.05740(18) 0.5327(5) 0.7584(2) 0.0394(11) Uani 1 1 d .
H5 H 1.0268 0.5101 0.7337 0.047 Uiso 1 1 calc R
C6 C 1.07413(17) 0.5922(4) 0.7339(2) 0.0323(9) Uani 1 1 d .
C7 C 1.04239(17) 0.6069(4) 0.6709(2) 0.0320(9) Uani 1 1 d .
H7 H 1.0124 0.5828 0.6508 0.038 Uiso 1 1 calc R
C8 C 1.03316(15) 0.6692(4) 0.5512(2) 0.0282(9) Uani 1 1 d .
C9 C 1.00092(16) 0.6647(4) 0.4852(2) 0.0317(9) Uani 1 1 d .
H9A H 0.9991 0.7419 0.4700 0.038 Uiso 1 1 calc R
H9B H 1.0129 0.6110 0.4726 0.038 Uiso 1 1 calc R
C10 C 0.92440(16) 0.6232(4) 0.4007(2) 0.0323(10) Uani 1 1 d .
C11 C 0.88047(18) 0.5919(5) 0.3776(2) 0.0412(12) Uani 1 1 d .
H11 H 0.8745 0.5736 0.4026 0.049 Uiso 1 1 calc R
C12 C 0.84558(19) 0.5881(5) 0.3170(3) 0.0436(12) Uani 1 1 d .
H12 H 0.8158 0.5691 0.3009 0.052 Uiso 1 1 calc R
C13 C 0.85608(19) 0.6132(4) 0.2818(2) 0.0404(12) Uani 1 1 d .
C14 C 0.89972(19) 0.6411(5) 0.3038(2) 0.0390(11) Uani 1 1 d .
H14 H 0.9058 0.6563 0.2786 0.047 Uiso 1 1 calc R
C15 C 0.93421(18) 0.6460(4) 0.3641(2) 0.0369(11) Uani 1 1 d .
H15 H 0.9639 0.6645 0.3799 0.044 Uiso 1 1 calc R
C16 C 1.1247(2) 1.0847(5) 0.6825(3) 0.0488(14) Uani 1 1 d .
H16A H 1.1403 1.1105 0.6686 0.073 Uiso 1 1 calc R
H16B H 1.1346 1.1309 0.7159 0.073 Uiso 1 1 calc R
H16C H 1.0924 1.0938 0.6518 0.073 Uiso 1 1 calc R
C17 C 1.13556(17) 0.9590(4) 0.6998(2) 0.0342(10) Uani 1 1 d .
C18 C 1.2429(2) 0.6500(7) 0.7092(3) 0.0614(18) Uani 1 1 d .
H18A H 1.2614 0.7157 0.7158 0.092 Uiso 1 1 calc R
H18B H 1.2259 0.6226 0.6696 0.092 Uiso 1 1 calc R
H18C H 1.2622 0.5882 0.7361 0.092 Uiso 1 1 calc R
C19 C 1.21043(17) 0.6867(5) 0.7187(2) 0.0374(11) Uani 1 1 d .
C20 C 0.87999(16) 0.8395(4) 0.4556(2) 0.0294(9) Uani 1 1 d .
C21 C 0.91680(16) 0.9162(4) 0.4780(2) 0.0336(10) Uani 1 1 d .
C22 C 0.91066(18) 1.0309(4) 0.4600(2) 0.0373(11) Uani 1 1 d .
H22 H 0.9359 1.0787 0.4757 0.045 Uiso 1 1 calc R
C23 C 0.86669(18) 1.0753(5) 0.4182(2) 0.0393(11) Uani 1 1 d .
H23 H 0.8623 1.1527 0.4058 0.047 Uiso 1 1 calc R
C24 C 0.82994(18) 1.0037(5) 0.3956(2) 0.0372(11) Uani 1 1 d .
H24 H 0.8006 1.0332 0.3671 0.045 Uiso 1 1 calc R
C25 C 0.83526(16) 0.8873(4) 0.4141(2) 0.0324(10) Uani 1 1 d .
C26 C 0.79413(17) 0.8237(5) 0.3905(2) 0.0356(10) Uani 1 1 d .
H26 H 0.7664 0.8598 0.3609 0.043 Uiso 1 1 calc R
C27 C 0.75083(18) 0.5905(5) 0.4121(2) 0.0409(12) Uani 1 1 d .
C28 C 0.70893(18) 0.5189(6) 0.3866(3) 0.0487(14) Uani 1 1 d .
H28A H 0.7104 0.4471 0.3704 0.058 Uiso 1 1 calc R
H28B H 0.7082 0.4977 0.4178 0.058 Uiso 1 1 calc R
C29 C 0.62834(17) 0.5156(5) 0.3074(2) 0.0363(10) Uani 1 1 d .
C30 C 0.58998(17) 0.5735(5) 0.2593(2) 0.0378(11) Uani 1 1 d .
H30 H 0.5922 0.6512 0.2520 0.045 Uiso 1 1 calc R
C31 C 0.54860(19) 0.5161(5) 0.2224(2) 0.0418(12) Uani 1 1 d .
H31 H 0.5227 0.5549 0.1907 0.050 Uiso 1 1 calc R
C32 C 0.54635(19) 0.4000(5) 0.2335(3) 0.0427(12) Uani 1 1 d .
C33 C 0.5832(2) 0.3411(5) 0.2802(3) 0.0462(13) Uani 1 1 d .
H33 H 0.5806 0.2630 0.2867 0.055 Uiso 1 1 calc R
C34 C 0.62542(19) 0.3994(5) 0.3187(3) 0.0434(12) Uani 1 1 d .
H34 H 0.6510 0.3608 0.3511 0.052 Uiso 1 1 calc R
C35 C 0.9225(3) 0.8114(6) 0.6494(3) 0.0582(17) Uani 1 1 d .
H35A H 0.9467 0.7746 0.6860 0.087 Uiso 1 1 calc R
H35B H 0.8950 0.8101 0.6443 0.087 Uiso 1 1 calc R
H35C H 0.9307 0.8911 0.6497 0.087 Uiso 1 1 calc R
C36 C 0.9148(2) 0.7463(5) 0.5997(2) 0.0411(11) Uani 1 1 d .
C37 C 0.9139(2) 0.3070(5) 0.5324(4) 0.0571(17) Uani 1 1 d .
H37A H 0.9036 0.2833 0.5533 0.086 Uiso 1 1 calc R
H37B H 0.9458 0.2895 0.5558 0.086 Uiso 1 1 calc R
H37C H 0.8969 0.2655 0.4958 0.086 Uiso 1 1 calc R
C38 C 0.90643(19) 0.4382(5) 0.5205(3) 0.0413(11) Uani 1 1 d .
O6 O 1.19231(13) 0.6374(4) 0.86502(16) 0.0440(9) Uani 1 1 d .
C40 C 0.99522(18) 0.9432(5) 0.5630(3) 0.0495(15) Uani 1 1 d .
H40A H 1.0053 0.9894 0.5462 0.074 Uiso 1 1 calc R
H40B H 1.0204 0.8982 0.5953 0.074 Uiso 1 1 calc R
H40C H 0.9838 0.9939 0.5768 0.074 Uiso 1 1 calc R
C42 C 0.7866(3) 0.2307(10) 0.4471(4) 0.091(3) Uani 1 1 d .
H42A H 0.7722 0.1625 0.4226 0.136 Uiso 1 1 calc R
H42B H 0.8057 0.2667 0.4406 0.136 Uiso 1 1 calc R
H42C H 0.7635 0.2853 0.4375 0.136 Uiso 1 1 calc R
C43 C 0.8429(4) 0.0620(9) 0.5272(5) 0.109(4) Uani 1 1 d D
H43A H 0.8662 0.0464 0.5685 0.163 Uiso 1 1 calc R
H43B H 0.8563 0.0639 0.5088 0.163 Uiso 1 1 calc R
H43C H 0.8202 0.0014 0.5096 0.163 Uiso 1 1 calc R
N6 N 0.50303(19) 0.3372(5) 0.1920(3) 0.0578(14) Uani 1 1 d .
N1 N 1.05209(13) 0.6504(3) 0.64016(17) 0.0284(8) Uani 1 1 d .
N2 N 1.01649(13) 0.6519(3) 0.57847(17) 0.0292(8) Uani 1 1 d .
N3 N 0.81909(18) 0.6123(5) 0.2173(2) 0.0500(12) Uani 1 1 d .
N5 N 0.79253(13) 0.7216(4) 0.40677(19) 0.0338(9) Uani 1 1 d .
O23 O 0.46894(16) 0.3926(5) 0.1536(3) 0.0750(16) Uani 1 1 d .
O24 O 0.5021(2) 0.2326(6) 0.1969(3) 0.115(3) Uani 1 1 d .
O1 O 1.13926(11) 0.6848(3) 0.75174(14) 0.0320(7) Uani 1 1 d .
O2 O 1.10662(12) 0.8837(3) 0.66333(15) 0.0354(7) Uani 1 1 d .
O3 O 1.17241(12) 0.9353(3) 0.75005(16) 0.0395(8) Uani 1 1 d .
O4 O 1.16821(12) 0.6749(3) 0.67541(16) 0.0373(8) Uani 1 1 d .
O5 O 1.22664(13) 0.7233(4) 0.76845(17) 0.0462(10) Uani 1 1 d .
C39 C 1.2205(2) 0.6249(8) 0.9275(3) 0.066(2) Uani 1 1 d .
H39A H 1.2066 0.6653 0.9409 0.098 Uiso 1 1 calc R
H39B H 1.2501 0.6578 0.9461 0.098 Uiso 1 1 calc R
H39C H 1.2236 0.5433 0.9373 0.098 Uiso 1 1 calc R
O7 O 0.95646(11) 0.6280(3) 0.46140(15) 0.0337(7) Uani 1 1 d .
O8 O 0.78283(16) 0.5675(5) 0.1982(2) 0.0688(14) Uani 1 1 d .
O9 O 0.82643(18) 0.6548(5) 0.1862(2) 0.0655(13) Uani 1 1 d .
O10 O 0.88741(11) 0.7284(3) 0.47251(15) 0.0315(7) Uani 1 1 d .
O11 O 0.95950(11) 0.8653(3) 0.51912(16) 0.0375(8) Uani 1 1 d .
O12 O 0.66789(12) 0.5805(3) 0.34162(16) 0.0399(8) Uani 1 1 d .
O15 O 0.87472(14) 0.7071(4) 0.55958(18) 0.0447(9) Uani 1 1 d .
O16 O 0.94875(13) 0.7368(4) 0.60189(17) 0.0430(9) Uani 1 1 d .
O17 O 0.86612(14) 0.4744(4) 0.4875(2) 0.0526(11) Uani 1 1 d .
O18 O 0.94140(12) 0.5002(3) 0.54447(17) 0.0407(8) Uani 1 1 d .
O19 O 1.07438(11) 0.6869(3) 0.57543(15) 0.0349(7) Uani 1 1 d .
O20 O 0.78604(12) 0.5643(4) 0.46310(18) 0.0515(11) Uani 1 1 d .
O22 O 0.7851(3) 0.1621(11) 0.5257(5) 0.177(6) Uani 1 1 d .
S1 S 0.81853(14) 0.1914(3) 0.51816(19) 0.1239(12) Uani 1 1 d D
Zn1 Zn 1.113359(18) 0.71109(5) 0.66591(2) 0.03033(14) Uani 1 1 d .
Zn2 Zn 0.949720(18) 0.67217(5) 0.53975(2) 0.03091(14) Uani 1 1 d .
Zn3 Zn 1.194239(19) 0.78665(5) 0.79637(3) 0.03431(15) Uani 1 1 d .
Zn4 Zn 0.845014(19) 0.63503(6) 0.48225(3) 0.03606(16) 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
C27 N4 N5 110.9(4) . .
C27 N4 Zn3 126.4(4) . 8_465
N5 N4 Zn3 122.6(3) . 8_465
O1 C1 C2 119.3(4) . .
O1 C1 C6 123.0(4) . .
C2 C1 C6 117.7(4) . .
O6 C2 C3 124.8(5) . .
O6 C2 C1 113.9(5) . .
C3 C2 C1 121.3(5) . .
C2 C3 C4 120.2(5) . .
C5 C4 C3 119.4(5) . .
C4 C5 C6 122.4(5) . .
C1 C6 C5 119.0(5) . .
C1 C6 C7 124.7(4) . .
C5 C6 C7 116.2(4) . .
N1 C7 C6 125.5(4) . .
O19 C8 N2 126.2(4) . .
O19 C8 C9 115.2(4) . .
N2 C8 C9 118.6(4) . .
O7 C9 C8 112.0(4) . .
O7 C10 C15 123.8(5) . .
O7 C10 C11 115.5(5) . .
C15 C10 C11 120.7(5) . .
C10 C11 C12 119.8(6) . .
C13 C12 C11 118.3(5) . .
C12 C13 C14 122.9(5) . .
C12 C13 N3 118.8(5) . .
C14 C13 N3 118.3(5) . .
C13 C14 C15 118.6(5) . .
C10 C15 C14 119.7(5) . .
O2 C17 O3 124.5(5) . .
O2 C17 C16 117.6(5) . .
O3 C17 C16 117.9(5) . .
O5 C19 O4 125.1(5) . .
O5 C19 C18 118.3(5) . .
O4 C19 C18 116.6(5) . .
O10 C20 C21 120.7(4) . .
O10 C20 C25 122.6(4) . .
C21 C20 C25 116.7(4) . .
C22 C21 O11 123.4(5) . .
C22 C21 C20 122.6(5) . .
O11 C21 C20 114.0(4) . .
C21 C22 C23 120.0(5) . .
C24 C23 C22 119.3(5) . .
C23 C24 C25 121.9(5) . .
C24 C25 C20 119.5(4) . .
C24 C25 C26 116.7(4) . .
C20 C25 C26 123.7(4) . .
N5 C26 C25 125.3(4) . .
O20 C27 N4 124.9(5) . .
O20 C27 C28 116.6(5) . .
N4 C27 C28 118.4(5) . .
O12 C28 C27 112.1(5) . .
O12 C29 C34 123.8(5) . .
O12 C29 C30 115.8(5) . .
C34 C29 C30 120.4(5) . .
C31 C30 C29 120.3(5) . .
C30 C31 C32 118.8(5) . .
C33 C32 C31 122.3(5) . .
C33 C32 N6 119.0(6) . .
C31 C32 N6 118.6(5) . .
C32 C33 C34 119.3(5) . .
C29 C34 C33 118.9(5) . .
O16 C36 O15 126.7(5) . .
O16 C36 C35 116.5(5) . .
O15 C36 C35 116.8(5) . .
O17 C38 O18 125.7(5) . .
O17 C38 C37 117.4(5) . .
O18 C38 C37 116.9(5) . .
C2 O6 C39 116.7(5) . .
O24 N6 O23 121.9(6) . .
O24 N6 C32 119.2(6) . .
O23 N6 C32 118.8(6) . .
C7 N1 N2 116.6(4) . .
C7 N1 Zn1 130.1(3) . .
N2 N1 Zn1 113.2(3) . .
C8 N2 N1 110.6(4) . .
C8 N2 Zn2 123.9(3) . .
N1 N2 Zn2 123.2(3) . .
O8 N3 O9 123.8(5) . .
O8 N3 C13 117.4(6) . .
O9 N3 C13 118.8(5) . .
C26 N5 N4 117.7(4) . .
C26 N5 Zn4 126.8(3) . .
N4 N5 Zn4 113.9(3) . .
C1 O1 Zn3 128.6(3) . .
C1 O1 Zn1 129.2(3) . .
Zn3 O1 Zn1 101.55(15) . .
C17 O2 Zn1 128.5(3) . .
C17 O3 Zn3 130.8(3) . .
C19 O4 Zn1 131.8(4) . .
C19 O5 Zn3 129.5(3) . .
C10 O7 C9 115.8(4) . .
C20 O10 Zn2 121.1(3) . .
C20 O10 Zn4 122.7(3) . .
Zn2 O10 Zn4 103.18(15) . .
C21 O11 C40 115.7(4) . .
C21 O11 Zn2 108.9(3) . .
C40 O11 Zn2 123.6(3) . .
C29 O12 C28 116.7(4) . .
C36 O15 Zn4 133.1(4) . .
C36 O16 Zn2 127.5(4) . .
C38 O17 Zn4 127.3(4) . .
C38 O18 Zn2 132.2(4) . .
C8 O19 Zn1 110.6(3) . .
C27 O20 Zn4 111.5(3) . .
O22 S1 C43 102.8(6) . .
O22 S1 C42 104.5(6) . .
C43 S1 C42 108.5(6) . .
O4 Zn1 O2 108.29(16) . .
O4 Zn1 N1 146.38(16) . .
O2 Zn1 N1 103.41(15) . .
O4 Zn1 O1 99.71(15) . .
O2 Zn1 O1 97.98(15) . .
N1 Zn1 O1 86.53(15) . .
O4 Zn1 O19 88.33(15) . .
O2 Zn1 O19 96.54(15) . .
N1 Zn1 O19 77.09(15) . .
O1 Zn1 O19 160.23(14) . .
O4 Zn1 Zn3 76.60(11) . .
O2 Zn1 Zn3 77.03(10) . .
N1 Zn1 Zn3 122.14(12) . .
O1 Zn1 Zn3 38.16(9) . .
O19 Zn1 Zn3 160.53(10) . .
O10 Zn2 O18 104.18(14) . .
O10 Zn2 O16 94.99(15) . .
O18 Zn2 O16 101.44(17) . .
O10 Zn2 N2 149.77(16) . .
O18 Zn2 N2 92.66(15) . .
O16 Zn2 N2 106.21(17) . .
O10 Zn2 O11 74.15(13) . .
O18 Zn2 O11 168.91(16) . .
O16 Zn2 O11 89.65(16) . .
N2 Zn2 O11 84.49(14) . .
O1 Zn3 N4 141.57(18) . 8_566
O1 Zn3 O3 104.09(15) . .
N4 Zn3 O3 106.46(18) 8_566 .
O1 Zn3 O5 100.39(16) . .
N4 Zn3 O5 98.61(17) 8_566 .
O3 Zn3 O5 96.74(18) . .
O1 Zn3 Zn1 40.29(10) . .
N4 Zn3 Zn1 175.40(13) 8_566 .
O3 Zn3 Zn1 74.96(11) . .
O5 Zn3 Zn1 76.83(11) . .
O17 Zn4 O15 113.36(19) . .
O17 Zn4 N5 126.57(19) . .
O15 Zn4 N5 119.74(18) . .
O17 Zn4 O20 88.63(18) . .
O15 Zn4 O20 101.04(18) . .
N5 Zn4 O20 76.40(16) . .
O17 Zn4 O10 99.86(16) . .
O15 Zn4 O10 91.70(15) . .
N5 Zn4 O10 84.52(15) . .
O20 Zn4 O10 160.53(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N4 C27 1.329(7) .
N4 N5 1.416(6) .
N4 Zn3 1.993(4) 8_465
C1 O1 1.345(6) .
C1 C2 1.420(7) .
C1 C6 1.415(7) .
C2 O6 1.368(6) .
C2 C3 1.385(8) .
C3 C4 1.398(8) .
C4 C5 1.356(8) .
C5 C6 1.409(7) .
C6 C7 1.443(7) .
C7 N1 1.283(6) .
C8 O19 1.257(6) .
C8 N2 1.324(6) .
C8 C9 1.503(6) .
C9 O7 1.419(6) .
C10 O7 1.383(6) .
C10 C15 1.382(8) .
C10 C11 1.389(7) .
C11 C12 1.389(8) .
C12 C13 1.369(9) .
C13 C14 1.379(8) .
C13 N3 1.477(7) .
C14 C15 1.381(7) .
C16 C17 1.490(7) .
C17 O2 1.263(6) .
C17 O3 1.256(6) .
C18 C19 1.495(8) .
C19 O5 1.249(7) .
C19 O4 1.267(6) .
C20 O10 1.325(6) .
C20 C21 1.408(7) .
C20 C25 1.423(6) .
C21 C22 1.375(7) .
C21 O11 1.388(6) .
C22 C23 1.391(7) .
C23 C24 1.369(7) .
C24 C25 1.402(7) .
C25 C26 1.438(7) .
C26 N5 1.277(7) .
C27 O20 1.254(6) .
C27 C28 1.498(7) .
C28 O12 1.430(6) .
C29 O12 1.374(6) .
C29 C34 1.390(8) .
C29 C30 1.389(7) .
C30 C31 1.378(7) .
C31 C32 1.381(8) .
C32 C33 1.360(8) .
C32 N6 1.465(7) .
C33 C34 1.405(8) .
C35 C36 1.502(8) .
C36 O16 1.258(7) .
C36 O15 1.272(7) .
C37 C38 1.522(8) .
C38 O17 1.249(7) .
C38 O18 1.252(7) .
O6 C39 1.432(7) .
C40 O11 1.436(6) .
C42 S1 1.682(9) .
C43 S1 1.672(10) .
N6 O24 1.206(8) .
N6 O23 1.219(8) .
N1 N2 1.414(5) .
N1 Zn1 2.057(4) .
N2 Zn2 2.026(4) .
N3 O8 1.220(7) .
N3 O9 1.222(8) .
N5 Zn4 2.059(4) .
O1 Zn3 1.984(3) .
O1 Zn1 2.077(3) .
O2 Zn1 1.981(4) .
O3 Zn3 1.997(4) .
O4 Zn1 1.967(4) .
O5 Zn3 2.012(4) .
O10 Zn2 1.988(3) .
O10 Zn4 2.106(3) .
O11 Zn2 2.380(4) .
O15 Zn4 1.970(4) .
O16 Zn2 2.007(4) .
O17 Zn4 1.967(4) .
O18 Zn2 2.007(4) .
O19 Zn1 2.088(4) .
O20 Zn4 2.096(4) .
O22 S1 1.469(7) .
Zn1 Zn3 3.1463(18) .
Zn3 N4 1.993(4) 8_566
