#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:30:03 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179532 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/01/4500196.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_4500196
loop_
_publ_author_name
'Bhattacharya, Saurav'
'Sanyal, Udishnu'
'Natarajan, Srinivasan'
_publ_section_title
;
 Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the
 Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid
 with Zinc and Cadmium
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              735
_journal_paper_doi               10.1021/cg101251a
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C58 H44 N8 O10 Zn2'
_chemical_formula_weight         1143.75
_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
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 107.775(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   29.084(5)
_cell_length_b                   18.553(5)
_cell_length_c                   20.463(5)
_cell_measurement_temperature    100(2)
_cell_volume                     10515(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'Ortep-3 for Windows (Farrugia, 1997) and CAME'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            38141
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.981
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4704
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.782
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         10274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0823P)²+19.5616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1476
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                7596
_reflns_number_total             10274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101251a_si_002.cif
_cod_data_source_block           Compound(I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4500196
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
Zn1 Zn 0.654470(15) 0.09720(2) 0.03626(2) 0.02517(14) Uani 1 1 d .
Zn2 Zn 1.118859(15) -0.24786(2) 0.67872(2) 0.02392(13) Uani 1 1 d .
O1 O 0.68241(9) -0.01016(15) 0.08391(13) 0.0310(6) Uani 1 1 d .
O2 O 0.71923(9) 0.09378(14) 0.11489(13) 0.0301(6) Uani 1 1 d .
O3 O 0.61404(9) 0.14335(16) 0.10869(13) 0.0316(6) Uani 1 1 d .
O4 O 0.58234(9) 0.07871(15) 0.01568(13) 0.0308(6) Uani 1 1 d .
O5 O 1.06365(10) -0.23701(16) 0.59494(14) 0.0342(7) Uani 1 1 d .
O6 O 1.17528(10) -0.27243(16) 0.62201(14) 0.0339(7) Uani 1 1 d .
O7 O 1.18370(9) -0.19916(14) 0.70953(13) 0.0273(6) Uani 1 1 d .
O8 O 1.07276(11) -0.12637(18) 0.63786(16) 0.0459(8) Uani 1 1 d .
O9 O 0.94265(16) 0.9977(3) 0.1712(2) 0.0854(13) Uani 1 1 d .
H9A H 0.9668 0.9783 0.1970 0.128 Uiso 1 1 calc R
O10 O 0.95699(16) 1.0023(3) 0.3042(2) 0.0849(13) Uani 1 1 d .
N1 N 0.66410(11) 0.20101(17) 0.00051(15) 0.0257(7) Uani 1 1 d .
N2 N 0.67810(10) 0.07029(17) -0.04839(15) 0.0247(7) Uani 1 1 d .
N3 N 1.11463(10) -0.35630(16) 0.70399(14) 0.0216(6) Uani 1 1 d .
N4 N 1.09078(11) -0.23745(17) 0.76147(16) 0.0275(7) Uani 1 1 d .
N5 N 0.87026(12) -0.11310(19) 0.32683(19) 0.0349(8) Uani 1 1 d .
N6 N 0.88672(12) -0.0759(2) 0.37858(19) 0.0354(8) Uani 1 1 d .
N7 N 0.38999(11) 0.16092(17) 0.16002(16) 0.0254(7) Uani 1 1 d .
N8 N 0.39201(11) 0.14453(18) 0.10126(16) 0.0273(7) Uani 1 1 d .
C1 C 0.71713(13) 0.0255(2) 0.12158(19) 0.0254(8) Uani 1 1 d .
C2 C 0.75712(13) -0.0102(2) 0.17576(19) 0.0250(8) Uani 1 1 d .
C3 C 0.76184(14) -0.0851(2) 0.1772(2) 0.0294(9) Uani 1 1 d .
H3 H 0.7396 -0.1133 0.1451 0.035 Uiso 1 1 calc R
C4 C 0.79997(14) -0.1174(2) 0.2271(2) 0.0319(9) Uani 1 1 d .
H4 H 0.8040 -0.1671 0.2272 0.038 Uiso 1 1 calc R
C5 C 0.83187(14) -0.0753(2) 0.2765(2) 0.0319(9) Uani 1 1 d .
C6 C 0.82746(14) -0.0002(2) 0.2759(2) 0.0323(9) Uani 1 1 d .
H6 H 0.8490 0.0278 0.3091 0.039 Uiso 1 1 calc R
C7 C 0.79027(13) 0.0316(2) 0.2248(2) 0.0293(9) Uani 1 1 d .
H7 H 0.7874 0.0815 0.2231 0.035 Uiso 1 1 calc R
C8 C 0.92750(14) -0.1060(2) 0.4296(2) 0.0312(9) Uani 1 1 d .
C9 C 0.94776(14) -0.1738(2) 0.4271(2) 0.0324(9) Uani 1 1 d .
H9 H 0.9345 -0.2044 0.3901 0.039 Uiso 1 1 calc R
C10 C 0.98774(14) -0.1948(2) 0.4802(2) 0.0310(9) Uani 1 1 d .
H10 H 1.0011 -0.2402 0.4794 0.037 Uiso 1 1 calc R
C11 C 1.00811(13) -0.1484(2) 0.5349(2) 0.0287(9) Uani 1 1 d .
C12 C 0.98781(15) -0.0810(2) 0.5361(2) 0.0371(10) Uani 1 1 d .
H12 H 1.0015 -0.0494 0.5721 0.045 Uiso 1 1 calc R
C13 C 0.94733(15) -0.0607(2) 0.4838(2) 0.0379(10) Uani 1 1 d .
H13 H 0.9334 -0.0159 0.4853 0.045 Uiso 1 1 calc R
C14 C 1.05124(14) -0.1709(2) 0.5933(2) 0.0318(9) Uani 1 1 d .
C15 C 0.57859(14) 0.1133(2) 0.0674(2) 0.0274(9) Uani 1 1 d .
C16 C 0.52980(13) 0.1183(2) 0.07831(19) 0.0254(8) Uani 1 1 d .
C17 C 0.52573(14) 0.1513(2) 0.13743(19) 0.0301(9) Uani 1 1 d .
H17 H 0.5533 0.1678 0.1706 0.036 Uiso 1 1 calc R
C18 C 0.48116(13) 0.1598(2) 0.14744(19) 0.0295(9) Uani 1 1 d .
H18 H 0.4786 0.1824 0.1867 0.035 Uiso 1 1 calc R
C19 C 0.43999(13) 0.1340(2) 0.09766(19) 0.0250(8) Uani 1 1 d .
C20 C 0.44361(13) 0.1010(2) 0.0386(2) 0.0285(9) Uani 1 1 d .
H20 H 0.4160 0.0849 0.0053 0.034 Uiso 1 1 calc R
C21 C 0.48864(14) 0.0923(2) 0.0293(2) 0.0283(9) Uani 1 1 d .
H21 H 0.4913 0.0692 -0.0097 0.034 Uiso 1 1 calc R
C22 C 0.34182(12) 0.1779(2) 0.15911(18) 0.0230(8) Uani 1 1 d .
C23 C 0.33068(13) 0.1690(2) 0.22028(19) 0.0235(8) Uani 1 1 d .
H23 H 0.3543 0.1542 0.2599 0.028 Uiso 1 1 calc R
C24 C 0.28412(13) 0.18249(19) 0.22157(19) 0.0231(8) Uani 1 1 d .
H24 H 0.2759 0.1737 0.2614 0.028 Uiso 1 1 calc R
C25 C 0.24947(13) 0.2092(2) 0.16351(19) 0.0242(8) Uani 1 1 d .
C26 C 0.26205(13) 0.2212(2) 0.10379(19) 0.0276(8) Uani 1 1 d .
H26 H 0.2394 0.2407 0.0655 0.033 Uiso 1 1 calc R
C27 C 0.30740(13) 0.2045(2) 0.1008(2) 0.0271(8) Uani 1 1 d .
H27 H 0.3150 0.2109 0.0602 0.033 Uiso 1 1 calc R
C28 C 1.19948(13) -0.2281(2) 0.66470(19) 0.0255(8) Uani 1 1 d .
C29 C 0.65853(14) 0.2650(2) 0.0271(2) 0.0291(9) Uani 1 1 d .
H29 H 0.6455 0.2665 0.0634 0.035 Uiso 1 1 calc R
C30 C 0.67158(14) 0.3302(2) 0.0024(2) 0.0331(9) Uani 1 1 d .
H30 H 0.6671 0.3739 0.0218 0.040 Uiso 1 1 calc R
C31 C 0.69096(14) 0.3283(2) -0.0507(2) 0.0317(9) Uani 1 1 d .
H31 H 0.6998 0.3709 -0.0676 0.038 Uiso 1 1 calc R
C32 C 0.71791(14) 0.2549(2) -0.1349(2) 0.0301(9) Uani 1 1 d .
H32 H 0.7266 0.2962 -0.1541 0.036 Uiso 1 1 calc R
C33 C 0.72477(14) 0.1897(2) -0.15962(19) 0.0293(9) Uani 1 1 d .
H33 H 0.7379 0.1869 -0.1957 0.035 Uiso 1 1 calc R
C34 C 0.72144(14) 0.0548(2) -0.15195(19) 0.0315(9) Uani 1 1 d .
H34 H 0.7357 0.0490 -0.1865 0.038 Uiso 1 1 calc R
C35 C 0.70912(15) -0.0043(2) -0.1207(2) 0.0331(9) Uani 1 1 d .
H35 H 0.7153 -0.0505 -0.1335 0.040 Uiso 1 1 calc R
C36 C 0.68714(14) 0.0056(2) -0.0691(2) 0.0293(9) Uani 1 1 d .
H36 H 0.6786 -0.0348 -0.0486 0.035 Uiso 1 1 calc R
C37 C 0.68365(12) 0.1994(2) -0.05210(18) 0.0221(8) Uani 1 1 d .
C38 C 0.69745(13) 0.2617(2) -0.07983(19) 0.0255(8) Uani 1 1 d .
C39 C 0.71220(13) 0.1248(2) -0.13115(18) 0.0251(8) Uani 1 1 d .
C40 C 0.69099(12) 0.1293(2) -0.07852(18) 0.0231(8) Uani 1 1 d .
C41 C 1.12729(13) -0.4141(2) 0.67485(19) 0.0258(8) Uani 1 1 d .
H41 H 1.1426 -0.4076 0.6415 0.031 Uiso 1 1 calc R
C42 C 1.11828(15) -0.4844(2) 0.6928(2) 0.0338(9) Uani 1 1 d .
H42 H 1.1279 -0.5236 0.6719 0.041 Uiso 1 1 calc R
C43 C 1.09525(15) -0.4950(2) 0.7411(2) 0.0348(10) Uani 1 1 d .
H43 H 1.0886 -0.5415 0.7527 0.042 Uiso 1 1 calc R
C44 C 1.05781(15) -0.4402(3) 0.8254(2) 0.0393(11) Uani 1 1 d .
H44 H 1.0501 -0.4854 0.8387 0.047 Uiso 1 1 calc R
C45 C 1.04676(15) -0.3810(3) 0.8549(2) 0.0387(11) Uani 1 1 d .
H45 H 1.0318 -0.3859 0.8888 0.046 Uiso 1 1 calc R
C46 C 1.04759(16) -0.2450(3) 0.8653(2) 0.0453(12) Uani 1 1 d .
H46 H 1.0333 -0.2466 0.9002 0.054 Uiso 1 1 calc R
C47 C 1.05907(17) -0.1800(3) 0.8428(2) 0.0482(12) Uani 1 1 d .
H47 H 1.0525 -0.1374 0.8621 0.058 Uiso 1 1 calc R
C48 C 1.08059(15) -0.1781(2) 0.7911(2) 0.0378(10) Uani 1 1 d .
H48 H 1.0883 -0.1335 0.7764 0.045 Uiso 1 1 calc R
C49 C 1.09218(12) -0.3665(2) 0.75265(18) 0.0222(8) Uani 1 1 d .
C50 C 1.08157(14) -0.4345(2) 0.7735(2) 0.0300(9) Uani 1 1 d .
C51 C 1.05740(13) -0.3102(2) 0.83545(19) 0.0325(10) Uani 1 1 d .
C52 C 1.07991(12) -0.3029(2) 0.78379(18) 0.0265(9) Uani 1 1 d .
C53 C 0.9083(2) 0.9427(3) 0.1362(3) 0.0638(15) Uani 1 1 d .
H53 H 0.8988 0.9155 0.1711 0.077 Uiso 1 1 calc R
C54 C 0.8641(2) 0.9771(4) 0.0896(3) 0.0785(19) Uani 1 1 d .
H54A H 0.8476 1.0019 0.1177 0.094 Uiso 1 1 calc R
H54B H 0.8741 1.0134 0.0626 0.094 Uiso 1 1 calc R
C55 C 0.8293(3) 0.9296(7) 0.0424(4) 0.146(5) Uani 1 1 d .
H55A H 0.8060 0.9587 0.0087 0.175 Uiso 1 1 calc R
H55B H 0.8119 0.9024 0.0679 0.175 Uiso 1 1 calc R
C56 C 0.8537(4) 0.8756(7) 0.0042(5) 0.151(5) Uani 1 1 d .
H56C H 0.8305 0.8395 -0.0196 0.181 Uiso 1 1 calc R
H56D H 0.8648 0.9013 -0.0295 0.181 Uiso 1 1 calc R
C57 C 0.8952(3) 0.8405(5) 0.0554(5) 0.120(4) Uani 1 1 d .
H57A H 0.9114 0.8094 0.0312 0.144 Uiso 1 1 calc R
H57B H 0.8829 0.8101 0.0848 0.144 Uiso 1 1 calc R
C58 C 0.9323(3) 0.8915(4) 0.1004(4) 0.085(2) Uani 1 1 d .
H58A H 0.9568 0.8641 0.1341 0.102 Uiso 1 1 calc R
H58B H 0.9480 0.9183 0.0725 0.102 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
O4 Zn1 O2 142.16(11) . .
O4 Zn1 N1 108.61(11) . .
O2 Zn1 N1 96.42(11) . .
O4 Zn1 N2 111.29(11) . .
O2 Zn1 N2 100.59(11) . .
N1 Zn1 N2 79.65(12) . .
O4 Zn1 O1 98.79(10) . .
O2 Zn1 O1 61.01(10) . .
N1 Zn1 O1 152.54(11) . .
N2 Zn1 O1 88.93(11) . .
O4 Zn1 O3 60.23(10) . .
O2 Zn1 O3 91.90(10) . .
N1 Zn1 O3 91.80(11) . .
N2 Zn1 O3 165.53(11) . .
O1 Zn1 O3 103.63(10) . .
O4 Zn1 C1 122.82(12) . .
O2 Zn1 C1 30.83(12) . .
N1 Zn1 C1 125.79(12) . .
N2 Zn1 C1 95.58(12) . .
O1 Zn1 C1 30.19(11) . .
O3 Zn1 C1 98.89(11) . .
O4 Zn1 C15 30.50(12) . .
O2 Zn1 C15 118.07(12) . .
N1 Zn1 C15 101.57(12) . .
N2 Zn1 C15 140.68(12) . .
O1 Zn1 C15 103.02(11) . .
O3 Zn1 C15 29.73(11) . .
C1 Zn1 C15 113.58(11) . .
O5 Zn2 O7 131.64(11) . .
O5 Zn2 N3 102.70(12) . .
O7 Zn2 N3 118.38(11) . .
O5 Zn2 N4 106.14(12) . .
O7 Zn2 N4 105.31(11) . .
N3 Zn2 N4 79.77(12) . .
O5 Zn2 O6 95.60(11) . .
O7 Zn2 O6 60.50(10) . .
N3 Zn2 O6 92.21(11) . .
N4 Zn2 O6 157.97(11) . .
O5 Zn2 C28 115.70(12) . .
O7 Zn2 C28 30.56(11) . .
N3 Zn2 C28 107.49(12) . .
N4 Zn2 C28 134.01(13) . .
O6 Zn2 C28 29.95(11) . .
C1 O1 Zn1 85.2(2) . .
C1 O2 Zn1 93.0(2) . .
C15 O3 Zn1 83.0(2) . .
C15 O4 Zn1 95.0(2) . .
C14 O5 Zn2 105.7(3) . .
C28 O6 Zn2 81.6(2) . .
C28 O7 Zn2 95.5(2) . .
C29 N1 C37 118.2(3) . .
C29 N1 Zn1 128.7(3) . .
C37 N1 Zn1 112.7(2) . .
C36 N2 C40 118.2(3) . .
C36 N2 Zn1 128.5(3) . .
C40 N2 Zn1 112.6(2) . .
C41 N3 C49 118.4(3) . .
C41 N3 Zn2 128.2(2) . .
C49 N3 Zn2 113.1(2) . .
C48 N4 C52 118.4(3) . .
C48 N4 Zn2 129.6(3) . .
C52 N4 Zn2 112.0(2) . .
N6 N5 C5 110.7(4) . .
N5 N6 C8 115.2(4) . .
N8 N7 C22 111.8(3) . .
N7 N8 C19 114.3(3) . .
O1 C1 O2 120.9(3) . .
O1 C1 C2 121.3(3) . .
O2 C1 C2 117.8(3) . .
O1 C1 Zn1 64.6(2) . .
O2 C1 Zn1 56.21(18) . .
C2 C1 Zn1 174.0(3) . .
C7 C2 C3 119.7(3) . .
C7 C2 C1 119.9(3) . .
C3 C2 C1 120.4(3) . .
C4 C3 C2 119.7(4) . .
C5 C4 C3 120.0(4) . .
C4 C5 C6 121.0(4) . .
C4 C5 N5 116.5(4) . .
C6 C5 N5 122.5(4) . .
C7 C6 C5 118.6(4) . .
C6 C7 C2 121.0(4) . .
C13 C8 C9 120.3(4) . .
C13 C8 N6 113.7(4) . .
C9 C8 N6 126.1(4) . .
C10 C9 C8 119.2(4) . .
C9 C10 C11 120.4(4) . .
C12 C11 C10 119.5(4) . .
C12 C11 C14 119.6(4) . .
C10 C11 C14 120.9(4) . .
C13 C12 C11 120.0(4) . .
C8 C13 C12 120.6(4) . .
O8 C14 O5 122.9(4) . .
O8 C14 C11 120.5(4) . .
O5 C14 C11 116.7(4) . .
O3 C15 O4 121.7(3) . .
O3 C15 C16 119.6(4) . .
O4 C15 C16 118.6(3) . .
O3 C15 Zn1 67.3(2) . .
O4 C15 Zn1 54.48(18) . .
C16 C15 Zn1 173.1(3) . .
C21 C16 C17 119.7(3) . .
C21 C16 C15 120.9(3) . .
C17 C16 C15 119.3(3) . .
C18 C17 C16 120.8(4) . .
C17 C18 C19 119.1(4) . .
C20 C19 C18 120.7(3) . .
C20 C19 N8 116.1(3) . .
C18 C19 N8 123.1(3) . .
C19 C20 C21 119.7(4) . .
C20 C21 C16 120.0(4) . .
C27 C22 C23 120.5(3) . .
C27 C22 N7 122.3(3) . .
C23 C22 N7 117.2(3) . .
C24 C23 C22 119.5(3) . .
C23 C24 C25 120.3(3) . .
C24 C25 C26 119.2(3) . .
C24 C25 C28 121.4(3) . 6_455
C26 C25 C28 119.4(3) . 6_455
C27 C26 C25 121.0(3) . .
C26 C27 C22 119.3(3) . .
O6 C28 O7 122.4(3) . .
O6 C28 C25 118.9(3) . 6_656
O7 C28 C25 118.7(3) . 6_656
O6 C28 Zn2 68.4(2) . .
O7 C28 Zn2 53.99(18) . .
C25 C28 Zn2 172.7(3) 6_656 .
N1 C29 C30 122.5(4) . .
C31 C30 C29 119.0(4) . .
C30 C31 C38 119.9(4) . .
C33 C32 C38 121.2(4) . .
C32 C33 C39 121.1(4) . .
C35 C34 C39 119.5(4) . .
C34 C35 C36 119.3(4) . .
N2 C36 C35 122.7(4) . .
N1 C37 C38 122.8(3) . .
N1 C37 C40 117.3(3) . .
C38 C37 C40 119.8(3) . .
C37 C38 C31 117.5(3) . .
C37 C38 C32 119.1(4) . .
C31 C38 C32 123.5(4) . .
C40 C39 C34 117.0(4) . .
C40 C39 C33 119.4(4) . .
C34 C39 C33 123.6(3) . .
N2 C40 C39 123.2(4) . .
N2 C40 C37 117.4(3) . .
C39 C40 C37 119.4(3) . .
N3 C41 C42 122.2(3) . .
C43 C42 C41 119.8(4) . .
C42 C43 C50 119.4(4) . .
C45 C44 C50 120.5(4) . .
C44 C45 C51 121.7(4) . .
C47 C46 C51 120.3(4) . .
C46 C47 C48 119.5(4) . .
N4 C48 C47 122.8(4) . .
N3 C49 C50 123.4(3) . .
N3 C49 C52 116.7(3) . .
C50 C49 C52 119.9(3) . .
C49 C50 C43 116.9(3) . .
C49 C50 C44 119.6(4) . .
C43 C50 C44 123.5(4) . .
C52 C51 C46 116.1(4) . .
C52 C51 C45 119.0(4) . .
C46 C51 C45 124.9(4) . .
N4 C52 C51 122.9(4) . .
N4 C52 C49 117.8(3) . .
C51 C52 C49 119.2(4) . .
O9 C53 C54 110.1(5) . .
O9 C53 C58 109.5(5) . .
C54 C53 C58 113.5(5) . .
C55 C54 C53 117.0(7) . .
C54 C55 C56 112.8(6) . .
C57 C56 C55 108.8(7) . .
C56 C57 C58 115.4(8) . .
C53 C58 C57 110.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 2.039(3) .
Zn1 O2 2.071(3) .
Zn1 N1 2.109(3) .
Zn1 N2 2.109(3) .
Zn1 O1 2.257(3) .
Zn1 O3 2.319(3) .
Zn1 C1 2.489(4) .
Zn1 C15 2.495(4) .
Zn2 O5 1.969(3) .
Zn2 O7 2.011(2) .
Zn2 N3 2.090(3) .
Zn2 N4 2.101(3) .
Zn2 O6 2.326(3) .
Zn2 C28 2.475(4) .
O1 C1 1.256(5) .
O2 C1 1.277(5) .
O3 C15 1.247(5) .
O4 C15 1.271(5) .
O5 C14 1.275(5) .
O6 C28 1.249(5) .
O7 C28 1.264(5) .
O8 C14 1.248(5) .
O9 C53 1.454(7) .
N1 C29 1.336(5) .
N1 C37 1.363(5) .
N2 C36 1.325(5) .
N2 C40 1.363(5) .
N3 C41 1.333(5) .
N3 C49 1.360(4) .
N4 C48 1.333(5) .
N4 C52 1.367(5) .
N5 N6 1.232(5) .
N5 C5 1.448(5) .
N6 C8 1.432(5) .
N7 N8 1.259(4) .
N7 C22 1.431(5) .
N8 C19 1.433(5) .
C1 C2 1.494(5) .
C2 C7 1.394(5) .
C2 C3 1.397(5) .
C3 C4 1.392(5) .
C4 C5 1.386(6) .
C5 C6 1.399(6) .
C6 C7 1.386(5) .
C8 C13 1.370(6) .
C8 C9 1.397(6) .
C9 C10 1.383(5) .
C10 C11 1.393(6) .
C11 C12 1.387(6) .
C11 C14 1.504(5) .
C12 C13 1.379(6) .
C15 C16 1.505(5) .
C16 C21 1.392(5) .
C16 C17 1.393(5) .
C17 C18 1.382(5) .
C18 C19 1.399(5) .
C19 C20 1.387(5) .
C20 C21 1.389(5) .
C22 C27 1.393(5) .
C22 C23 1.395(5) .
C23 C24 1.385(5) .
C24 C25 1.393(5) .
C25 C26 1.396(5) .
C25 C28 1.503(5) 6_455
C26 C27 1.374(5) .
C28 C25 1.503(5) 6_656
C29 C30 1.407(6) .
C30 C31 1.368(6) .
C31 C38 1.409(6) .
C32 C33 1.348(6) .
C32 C38 1.433(5) .
C33 C39 1.434(5) .
C34 C35 1.371(6) .
C34 C39 1.418(6) .
C35 C36 1.404(5) .
C37 C38 1.400(5) .
C37 C40 1.449(5) .
C39 C40 1.398(5) .
C41 C42 1.400(6) .
C42 C43 1.368(6) .
C43 C50 1.422(6) .
C44 C45 1.339(6) .
C44 C50 1.437(5) .
C45 C51 1.433(6) .
C46 C47 1.368(7) .
C46 C51 1.422(6) .
C47 C48 1.385(6) .
C49 C50 1.396(5) .
C49 C52 1.438(5) .
C51 C52 1.409(5) .
C53 C54 1.491(8) .
C53 C58 1.496(8) .
C54 C55 1.462(10) .
C55 C56 1.566(13) .
C56 C57 1.488(14) .
C57 C58 1.517(10) .
