#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/11/4501169.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_4501169
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Zhao, Zhi-Xiang'
'Zhao, Xiao-Jun'
'Yao, Zhao-Quan'
'Li, Shu-Juan'
'Wang, Xiu-Guang'
_publ_section_title
;
 Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl
 Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak
 Interactions
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4933
_journal_paper_doi               10.1021/cg2008182
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C65 H74 N11 O15.5 Zn2'
_chemical_formula_weight         1388.09
_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                 100.5100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1433(18)
_cell_length_b                   18.5739(16)
_cell_length_c                   18.3522(16)
_cell_measurement_reflns_used    9293
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     6751.1(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34031
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.855
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2896.0
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     853
_refine_ls_number_reflns         11889
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0413
_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)+(0.0475P)²+7.3892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                9472
_reflns_number_total             11893
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2008182_si_004.cif
_cod_data_source_block           90905a
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C65 H74 N11 O15.50 Zn2'
_cod_database_code               4501169
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 0.388096(15) 0.744828(15) 0.401237(17) 0.03294(9) Uani 1 1 d .
Zn2 Zn 0.155905(15) 0.245190(15) 0.146084(16) 0.03161(9) Uani 1 1 d .
O1 O 0.25576(11) 0.67777(13) 0.34963(16) 0.0705(7) Uani 1 1 d .
O2 O 0.36332(10) 0.65571(10) 0.34723(12) 0.0476(5) Uani 1 1 d .
O3 O 0.17406(10) 0.33991(10) 0.19160(11) 0.0449(5) Uani 1 1 d .
O4 O 0.27574(10) 0.33071(11) 0.16160(12) 0.0526(5) Uani 1 1 d .
O5 O 0.34524(11) 0.82457(11) 0.34439(12) 0.0516(5) Uani 1 1 d .
O6 O 0.40011(14) 0.90455(13) 0.42275(14) 0.0694(7) Uani 1 1 d .
O7 O 0.20952(10) 1.17291(10) 0.20734(11) 0.0468(5) Uani 1 1 d .
O8 O 0.15025(12) 1.08843(12) 0.13951(14) 0.0680(7) Uani 1 1 d .
O9 O 0.53916(12) 0.70436(15) 0.68290(13) 0.0678(7) Uani 1 1 d .
O10 O 0.63106(11) 0.78122(14) 0.60632(13) 0.0583(6) Uani 1 1 d .
O11 O -0.06587(14) 0.10087(16) 0.00351(16) 0.0828(8) Uani 1 1 d .
O12 O 0.01819(16) 0.11308(16) -0.10881(16) 0.0844(8) Uani 1 1 d .
N1 N 0.37607(12) 0.73730(13) 0.50760(13) 0.0412(6) Uani 1 1 d .
N2 N 0.39594(14) 0.70062(17) 0.62478(14) 0.0566(7) Uani 1 1 d .
N3 N 0.59578(12) 0.78121(14) 0.45016(14) 0.0472(6) Uani 1 1 d .
N4 N 0.49013(11) 0.74385(12) 0.41398(13) 0.0392(5) Uani 1 1 d .
N5 N 0.05446(11) 0.23765(12) 0.14827(13) 0.0387(5) Uani 1 1 d .
N6 N -0.04764(12) 0.18787(14) 0.13276(15) 0.0476(6) Uani 1 1 d .
N7 N 0.13358(14) 0.20411(19) -0.07967(14) 0.0593(8) Uani 1 1 d .
N8 N 0.15527(12) 0.24414(13) 0.03600(13) 0.0427(6) Uani 1 1 d .
C1 C 0.32303(15) 0.76010(17) 0.54105(17) 0.0452(7) Uani 1 1 d .
C2 C 0.33537(16) 0.73806(19) 0.61503(18) 0.0521(8) Uani 1 1 d .
C3 C 0.2919(2) 0.7551(2) 0.6638(2) 0.0725(11) Uani 1 1 d .
H3 H 0.3004 0.7407 0.7131 0.087 Uiso 1 1 calc R
C4 C 0.2362(2) 0.7946(3) 0.6342(3) 0.0892(14) Uani 1 1 d .
H4 H 0.2058 0.8074 0.6646 0.107 Uiso 1 1 calc R
C5 C 0.2231(2) 0.8162(3) 0.5604(3) 0.0859(13) Uani 1 1 d .
H5 H 0.1844 0.8430 0.5430 0.103 Uiso 1 1 calc R
C6 C 0.26595(17) 0.7991(2) 0.5120(2) 0.0635(9) Uani 1 1 d .
H6 H 0.2568 0.8131 0.4625 0.076 Uiso 1 1 calc R
C7 C 0.41780(16) 0.70309(18) 0.55994(17) 0.0496(8) Uani 1 1 d .
H7 H 0.4583 0.6827 0.5527 0.060 Uiso 1 1 calc R
C8 C 0.4308(2) 0.6634(2) 0.6926(2) 0.0741(11) Uani 1 1 d .
H8A H 0.3994 0.6571 0.7264 0.089 Uiso 1 1 calc R
H8B H 0.4451 0.6161 0.6794 0.089 Uiso 1 1 calc R
C9 C 0.4894(2) 0.7037(2) 0.72975(19) 0.0716(11) Uani 1 1 d .
H9A H 0.4764 0.7525 0.7393 0.086 Uiso 1 1 calc R
H9B H 0.5078 0.6812 0.7768 0.086 Uiso 1 1 calc R
C10 C 0.59751(18) 0.7418(2) 0.7173(2) 0.0623(9) Uani 1 1 d .
H10A H 0.6146 0.7206 0.7654 0.075 Uiso 1 1 calc R
H10B H 0.5861 0.7916 0.7250 0.075 Uiso 1 1 calc R
C11 C 0.65039(17) 0.73862(19) 0.6707(2) 0.0577(9) Uani 1 1 d .
H11A H 0.6928 0.7561 0.6987 0.069 Uiso 1 1 calc R
H11B H 0.6568 0.6891 0.6565 0.069 Uiso 1 1 calc R
C12 C 0.68179(16) 0.7853(2) 0.5623(2) 0.0629(9) Uani 1 1 d .
H12A H 0.6967 0.7373 0.5521 0.076 Uiso 1 1 calc R
H12B H 0.7203 0.8119 0.5883 0.076 Uiso 1 1 calc R
C13 C 0.65272(16) 0.8225(2) 0.4915(2) 0.0621(9) Uani 1 1 d .
H13A H 0.6374 0.8702 0.5022 0.075 Uiso 1 1 calc R
H13B H 0.6873 0.8279 0.4614 0.075 Uiso 1 1 calc R
C14 C 0.60001(14) 0.71539(17) 0.41591(16) 0.0441(7) Uani 1 1 d .
C15 C 0.53366(14) 0.69191(15) 0.39326(15) 0.0390(6) Uani 1 1 d .
C16 C 0.51965(16) 0.62737(16) 0.35544(17) 0.0484(7) Uani 1 1 d .
H16 H 0.4755 0.6115 0.3399 0.058 Uiso 1 1 calc R
C17 C 0.57436(18) 0.58757(19) 0.3419(2) 0.0602(9) Uani 1 1 d .
H17 H 0.5669 0.5442 0.3163 0.072 Uiso 1 1 calc R
C18 C 0.64051(18) 0.6115(2) 0.3661(2) 0.0631(10) Uani 1 1 d .
H18 H 0.6760 0.5827 0.3575 0.076 Uiso 1 1 calc R
C19 C 0.65499(16) 0.6756(2) 0.40191(19) 0.0565(9) Uani 1 1 d .
H19 H 0.6991 0.6918 0.4162 0.068 Uiso 1 1 calc R
C20 C 0.53018(14) 0.79476(16) 0.44777(17) 0.0450(7) Uani 1 1 d .
H20 H 0.5143 0.8359 0.4679 0.054 Uiso 1 1 calc R
C21 C 0.00703(14) 0.29174(16) 0.15347(15) 0.0397(6) Uani 1 1 d .
C22 C -0.05696(15) 0.26061(16) 0.14365(17) 0.0451(7) Uani 1 1 d .
C23 C -0.11505(16) 0.3008(2) 0.1466(2) 0.0635(10) Uani 1 1 d .
H23 H -0.1575 0.2796 0.1410 0.076 Uiso 1 1 calc R
C24 C -0.10595(19) 0.3732(2) 0.1584(3) 0.0772(12) Uani 1 1 d .
H24 H -0.1434 0.4018 0.1607 0.093 Uiso 1 1 calc R
C25 C -0.04223(19) 0.4055(2) 0.1670(2) 0.0732(11) Uani 1 1 d .
H25 H -0.0385 0.4550 0.1741 0.088 Uiso 1 1 calc R
C26 C 0.01496(16) 0.36555(17) 0.16515(19) 0.0534(8) Uani 1 1 d .
H26 H 0.0573 0.3870 0.1715 0.064 Uiso 1 1 calc R
C27 C 0.01898(14) 0.17801(16) 0.13599(17) 0.0454(7) Uani 1 1 d .
H27 H 0.0381 0.1333 0.1301 0.055 Uiso 1 1 calc R
C28 C -0.10011(17) 0.1333(2) 0.1153(2) 0.0643(10) Uani 1 1 d .
H28A H -0.1386 0.1470 0.1373 0.077 Uiso 1 1 calc R
H28B H -0.0831 0.0878 0.1371 0.077 Uiso 1 1 calc R
C29 C -0.12253(19) 0.1238(2) 0.0340(3) 0.0796(12) Uani 1 1 d .
H29A H -0.1582 0.0881 0.0244 0.096 Uiso 1 1 calc R
H29B H -0.1399 0.1689 0.0116 0.096 Uiso 1 1 calc R
C30 C -0.0838(2) 0.0789(3) -0.0699(3) 0.0952(15) Uani 1 1 d .
H30A H -0.1057 0.1185 -0.0994 0.114 Uiso 1 1 calc R
H30B H -0.1161 0.0397 -0.0729 0.114 Uiso 1 1 calc R
C31 C -0.0258(3) 0.0553(3) -0.1006(3) 0.0979(16) Uani 1 1 d .
H31A H -0.0012 0.0192 -0.0682 0.118 Uiso 1 1 calc R
H31B H -0.0414 0.0332 -0.1485 0.118 Uiso 1 1 calc R
C32 C 0.0779(3) 0.0919(3) -0.1297(3) 0.0923(14) Uani 1 1 d .
H32A H 0.0677 0.0634 -0.1746 0.111 Uiso 1 1 calc R
H32B H 0.1033 0.0619 -0.0911 0.111 Uiso 1 1 calc R
C33 C 0.1191(2) 0.1535(3) -0.1426(2) 0.0854(14) Uani 1 1 d .
H33A H 0.0961 0.1794 -0.1858 0.102 Uiso 1 1 calc R
H33B H 0.1616 0.1360 -0.1537 0.102 Uiso 1 1 calc R
C34 C 0.13678(15) 0.2782(2) -0.08458(17) 0.0549(9) Uani 1 1 d .
C35 C 0.15063(14) 0.30315(18) -0.01205(16) 0.0465(7) Uani 1 1 d .
C36 C 0.15667(18) 0.3763(2) 0.0020(2) 0.0638(9) Uani 1 1 d .
H36 H 0.1659 0.3938 0.0503 0.077 Uiso 1 1 calc R
C37 C 0.1485(2) 0.4223(2) -0.0582(3) 0.0823(13) Uani 1 1 d .
H37 H 0.1523 0.4717 -0.0503 0.099 Uiso 1 1 calc R
C38 C 0.1348(2) 0.3961(3) -0.1300(3) 0.0854(14) Uani 1 1 d .
H38 H 0.1296 0.4286 -0.1691 0.103 Uiso 1 1 calc R
C39 C 0.12863(18) 0.3249(3) -0.1453(2) 0.0733(12) Uani 1 1 d .
H39 H 0.1195 0.3079 -0.1938 0.088 Uiso 1 1 calc R
C40 C 0.14454(16) 0.18687(19) -0.00697(17) 0.0515(8) Uani 1 1 d .
H40 H 0.1445 0.1400 0.0108 0.062 Uiso 1 1 calc R
C41 C 0.30015(15) 0.63959(15) 0.33321(16) 0.0420(7) Uani 1 1 d .
C42 C 0.28353(14) 0.56861(15) 0.29430(16) 0.0387(6) Uani 1 1 d .
C43 C 0.21673(15) 0.54875(16) 0.27014(18) 0.0480(7) Uani 1 1 d .
H43 H 0.1824 0.5804 0.2762 0.058 Uiso 1 1 calc R
C44 C 0.20061(14) 0.48273(16) 0.23729(18) 0.0456(7) Uani 1 1 d .
H44 H 0.1555 0.4702 0.2220 0.055 Uiso 1 1 calc R
C45 C 0.25082(13) 0.43490(14) 0.22680(15) 0.0362(6) Uani 1 1 d .
C46 C 0.31769(14) 0.45511(16) 0.24984(18) 0.0476(7) Uani 1 1 d .
H46 H 0.3521 0.4239 0.2428 0.057 Uiso 1 1 calc R
C47 C 0.33356(15) 0.52093(16) 0.28297(18) 0.0483(7) Uani 1 1 d .
H47 H 0.3786 0.5336 0.2980 0.058 Uiso 1 1 calc R
C48 C 0.23413(14) 0.36327(15) 0.19049(15) 0.0375(6) Uani 1 1 d .
C49 C 0.31587(14) 0.94607(15) 0.32280(16) 0.0401(6) Uani 1 1 d .
C50 C 0.32918(18) 1.01835(17) 0.33582(18) 0.0572(9) Uani 1 1 d .
H50 H 0.3645 1.0322 0.3732 0.069 Uiso 1 1 calc R
C51 C 0.29066(17) 1.07030(16) 0.29385(18) 0.0543(8) Uani 1 1 d .
H51 H 0.3006 1.1187 0.3032 0.065 Uiso 1 1 calc R
C52 C 0.23730(14) 1.05145(15) 0.23802(15) 0.0380(6) Uani 1 1 d .
C53 C 0.22433(16) 0.97945(17) 0.2254(2) 0.0562(9) Uani 1 1 d .
H53 H 0.1887 0.9655 0.1884 0.067 Uiso 1 1 calc R
C54 C 0.26321(16) 0.92731(16) 0.2668(2) 0.0562(9) Uani 1 1 d .
H54 H 0.2538 0.8789 0.2568 0.067 Uiso 1 1 calc R
C55 C 0.35800(16) 0.88906(16) 0.36802(17) 0.0438(7) Uani 1 1 d .
C56 C 0.19521(14) 1.10709(15) 0.19092(16) 0.0412(7) Uani 1 1 d .
C57 C 0.5494(4) 0.3985(3) 0.8613(5) 0.197(4) Uani 1 1 d D
H57A H 0.5071 0.4024 0.8276 0.296 Uiso 1 1 calc R
H57B H 0.5419 0.3793 0.9076 0.296 Uiso 1 1 calc R
H57C H 0.5789 0.3670 0.8406 0.296 Uiso 1 1 calc R
C58 C 0.6481(3) 0.4711(3) 0.9166(4) 0.157(3) Uani 1 1 d D
H58A H 0.6473 0.4590 0.9673 0.236 Uiso 1 1 calc R
H58B H 0.6652 0.5191 0.9141 0.236 Uiso 1 1 calc R
H58C H 0.6768 0.4379 0.8969 0.236 Uiso 1 1 calc R
C59 C 0.5477(3) 0.5302(4) 0.8448(3) 0.187(5) Uani 1 1 d D
H59 H 0.5626 0.5735 0.8675 0.224 Uiso 1 1 calc R
C60 C 0.6894(3) 0.4499(3) 0.4719(4) 0.161(3) Uani 1 1 d D
H60A H 0.7322 0.4642 0.4607 0.241 Uiso 1 1 calc R
H60B H 0.6573 0.4445 0.4266 0.241 Uiso 1 1 calc R
H60C H 0.6943 0.4049 0.4981 0.241 Uiso 1 1 calc R
C61 C 0.5988(3) 0.4999(4) 0.5242(4) 0.218(5) Uani 1 1 d D
H61A H 0.5928 0.4600 0.5555 0.326 Uiso 1 1 calc R
H61B H 0.5716 0.4930 0.4760 0.326 Uiso 1 1 calc R
H61C H 0.5855 0.5436 0.5455 0.326 Uiso 1 1 calc R
C62 C 0.7085(3) 0.5545(3) 0.5495(3) 0.155(3) Uani 1 1 d D
H62 H 0.6931 0.5885 0.5796 0.186 Uiso 1 1 calc R
C63 C 0.9658(3) 0.2924(4) 0.9391(4) 0.165(3) Uani 1 1 d D
H63A H 0.9680 0.2514 0.9078 0.247 Uiso 1 1 calc R
H63B H 0.9285 0.2870 0.9645 0.247 Uiso 1 1 calc R
H63C H 1.0070 0.2960 0.9746 0.247 Uiso 1 1 calc R
C64 C 0.9557(4) 0.4219(4) 0.9394(4) 0.192(4) Uani 1 1 d D
H64A H 0.9600 0.4631 0.9090 0.288 Uiso 1 1 calc R
H64B H 0.9925 0.4212 0.9808 0.288 Uiso 1 1 calc R
H64C H 0.9137 0.4247 0.9570 0.288 Uiso 1 1 calc R
C65 C 0.9577(4) 0.3590(4) 0.8248(4) 0.255(8) Uani 1 1 d D
H65 H 0.9609 0.3173 0.7975 0.306 Uiso 1 1 calc R
N9 N 0.5791(3) 0.4669(2) 0.8730(3) 0.1290(19) Uani 1 1 d D
N10 N 0.6657(2) 0.5046(2) 0.5178(2) 0.1053(14) Uani 1 1 d D
N11 N 0.95692(19) 0.3556(3) 0.8954(3) 0.1061(14) Uani 1 1 d D
O13 O 0.5043(3) 0.5315(3) 0.7953(4) 0.203(3) Uani 1 1 d D
O14 O 0.7653(3) 0.5581(4) 0.5414(3) 0.246(4) Uani 1 1 d D
O15 O 0.9539(2) 0.4217(3) 0.7933(3) 0.1490(18) Uani 1 1 d D
O16 O 0.4706(4) 0.0373(4) 0.4906(5) 0.139(3) Uani 0.50 1 d P
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
O5 Zn1 O2 109.30(9) . .
O5 Zn1 N1 117.23(10) . .
O2 Zn1 N1 111.66(10) . .
O5 Zn1 N4 114.52(10) . .
O2 Zn1 N4 102.22(9) . .
N1 Zn1 N4 100.73(10) . .
O7 Zn2 O3 109.47(9) 1_545 .
O7 Zn2 N8 118.23(9) 1_545 .
O3 Zn2 N8 113.79(9) . .
O7 Zn2 N5 112.98(9) 1_545 .
O3 Zn2 N5 99.34(9) . .
N8 Zn2 N5 101.19(10) . .
C41 O2 Zn1 116.88(18) . .
C48 O3 Zn2 113.55(17) . .
C55 O5 Zn1 119.54(19) . .
C56 O7 Zn2 116.47(18) . 1_565
C10 O9 C9 110.6(3) . .
C12 O10 C11 112.8(3) . .
C30 O11 C29 112.5(3) . .
C32 O12 C31 114.0(4) . .
C7 N1 C1 105.3(2) . .
C7 N1 Zn1 124.5(2) . .
C1 N1 Zn1 130.1(2) . .
C7 N2 C2 106.9(3) . .
C7 N2 C8 125.3(3) . .
C2 N2 C8 127.7(3) . .
C20 N3 C14 107.1(2) . .
C20 N3 C13 126.3(3) . .
C14 N3 C13 126.0(3) . .
C20 N4 C15 105.1(2) . .
C20 N4 Zn1 124.6(2) . .
C15 N4 Zn1 130.28(18) . .
C27 N5 C21 105.0(2) . .
C27 N5 Zn2 124.40(19) . .
C21 N5 Zn2 130.14(19) . .
C27 N6 C22 106.7(2) . .
C27 N6 C28 126.4(3) . .
C22 N6 C28 126.8(3) . .
C40 N7 C34 107.4(3) . .
C40 N7 C33 126.5(4) . .
C34 N7 C33 126.0(3) . .
C40 N8 C35 105.7(3) . .
C40 N8 Zn2 125.2(2) . .
C35 N8 Zn2 127.7(2) . .
C6 C1 N1 129.9(3) . .
C6 C1 C2 121.2(3) . .
N1 C1 C2 109.0(3) . .
N2 C2 C1 105.6(3) . .
N2 C2 C3 132.1(3) . .
C1 C2 C3 122.3(3) . .
C4 C3 C2 115.7(4) . .
C4 C3 H3 122.2 . .
C2 C3 H3 122.2 . .
C3 C4 C5 122.4(4) . .
C3 C4 H4 118.8 . .
C5 C4 H4 118.8 . .
C6 C5 C4 122.0(4) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C1 C6 C5 116.4(4) . .
C1 C6 H6 121.8 . .
C5 C6 H6 121.8 . .
N1 C7 N2 113.2(3) . .
N1 C7 H7 123.4 . .
N2 C7 H7 123.4 . .
C9 C8 N2 111.9(3) . .
C9 C8 H8A 109.2 . .
N2 C8 H8A 109.2 . .
C9 C8 H8B 109.2 . .
N2 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
O9 C9 C8 108.6(3) . .
O9 C9 H9A 110.0 . .
C8 C9 H9A 110.0 . .
O9 C9 H9B 110.0 . .
C8 C9 H9B 110.0 . .
H9A C9 H9B 108.3 . .
O9 C10 C11 110.4(3) . .
O9 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
O9 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
O10 C11 C10 110.0(3) . .
O10 C11 H11A 109.7 . .
C10 C11 H11A 109.7 . .
O10 C11 H11B 109.7 . .
C10 C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
O10 C12 C13 108.2(3) . .
O10 C12 H12A 110.1 . .
C13 C12 H12A 110.1 . .
O10 C12 H12B 110.1 . .
C13 C12 H12B 110.1 . .
H12A C12 H12B 108.4 . .
N3 C13 C12 110.6(3) . .
N3 C13 H13A 109.5 . .
C12 C13 H13A 109.5 . .
N3 C13 H13B 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
N3 C14 C19 132.0(3) . .
N3 C14 C15 106.0(2) . .
C19 C14 C15 122.0(3) . .
C16 C15 C14 121.0(3) . .
C16 C15 N4 130.5(3) . .
C14 C15 N4 108.5(3) . .
C17 C16 C15 117.0(3) . .
C17 C16 H16 121.5 . .
C15 C16 H16 121.5 . .
C16 C17 C18 121.0(3) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C19 C18 C17 122.6(3) . .
C19 C18 H18 118.7 . .
C17 C18 H18 118.7 . .
C18 C19 C14 116.4(3) . .
C18 C19 H19 121.8 . .
C14 C19 H19 121.8 . .
N4 C20 N3 113.3(3) . .
N4 C20 H20 123.4 . .
N3 C20 H20 123.4 . .
C26 C21 C22 120.4(3) . .
C26 C21 N5 131.0(3) . .
C22 C21 N5 108.6(2) . .
N6 C22 C21 106.1(2) . .
N6 C22 C23 131.6(3) . .
C21 C22 C23 122.3(3) . .
C24 C23 C22 116.2(3) . .
C24 C23 H23 121.9 . .
C22 C23 H23 121.9 . .
C23 C24 C25 122.2(3) . .
C23 C24 H24 118.9 . .
C25 C24 H24 118.9 . .
C26 C25 C24 121.4(4) . .
C26 C25 H25 119.3 . .
C24 C25 H25 119.3 . .
C25 C26 C21 117.5(3) . .
C25 C26 H26 121.3 . .
C21 C26 H26 121.3 . .
N5 C27 N6 113.5(3) . .
N5 C27 H27 123.2 . .
N6 C27 H27 123.2 . .
N6 C28 C29 112.2(3) . .
N6 C28 H28A 109.2 . .
C29 C28 H28A 109.2 . .
N6 C28 H28B 109.2 . .
C29 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
O11 C29 C28 108.1(3) . .
O11 C29 H29A 110.1 . .
C28 C29 H29A 110.1 . .
O11 C29 H29B 110.1 . .
C28 C29 H29B 110.1 . .
H29A C29 H29B 108.4 . .
O11 C30 C31 112.2(4) . .
O11 C30 H30A 109.2 . .
C31 C30 H30A 109.2 . .
O11 C30 H30B 109.2 . .
C31 C30 H30B 109.2 . .
H30A C30 H30B 107.9 . .
O12 C31 C30 112.1(4) . .
O12 C31 H31A 109.2 . .
C30 C31 H31A 109.2 . .
O12 C31 H31B 109.2 . .
C30 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
O12 C32 C33 111.8(4) . .
O12 C32 H32A 109.3 . .
C33 C32 H32A 109.3 . .
O12 C32 H32B 109.3 . .
C33 C32 H32B 109.3 . .
H32A C32 H32B 107.9 . .
C32 C33 N7 114.2(3) . .
C32 C33 H33A 108.7 . .
N7 C33 H33A 108.7 . .
C32 C33 H33B 108.7 . .
N7 C33 H33B 108.7 . .
H33A C33 H33B 107.6 . .
N7 C34 C35 105.8(3) . .
N7 C34 C39 132.0(4) . .
C35 C34 C39 122.1(4) . .
C36 C35 C34 120.1(3) . .
C36 C35 N8 131.1(3) . .
C34 C35 N8 108.8(3) . .
C37 C36 C35 117.6(4) . .
C37 C36 H36 121.2 . .
C35 C36 H36 121.2 . .
C36 C37 C38 121.1(4) . .
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
C39 C38 C37 122.5(4) . .
C39 C38 H38 118.8 . .
C37 C38 H38 118.8 . .
C38 C39 C34 116.6(4) . .
C38 C39 H39 121.7 . .
C34 C39 H39 121.7 . .
N8 C40 N7 112.3(3) . .
N8 C40 H40 123.9 . .
N7 C40 H40 123.9 . .
O1 C41 O2 123.9(3) . .
O1 C41 C42 121.0(3) . .
O2 C41 C42 115.1(2) . .
C47 C42 C43 118.1(3) . .
C47 C42 C41 121.7(2) . .
C43 C42 C41 120.2(3) . .
C44 C43 C42 120.9(3) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 120.7(3) . .
C43 C44 H44 119.6 . .
C45 C44 H44 119.6 . .
C44 C45 C46 118.5(3) . .
C44 C45 C48 121.4(2) . .
C46 C45 C48 120.1(2) . .
C47 C46 C45 120.6(3) . .
C47 C46 H46 119.7 . .
C45 C46 H46 119.7 . .
C46 C47 C42 121.1(3) . .
C46 C47 H47 119.4 . .
C42 C47 H47 119.4 . .
O4 C48 O3 123.8(3) . .
O4 C48 C45 120.9(3) . .
O3 C48 C45 115.3(2) . .
C54 C49 C50 118.2(3) . .
C54 C49 C55 120.8(3) . .
C50 C49 C55 121.0(3) . .
C49 C50 C51 120.7(3) . .
C49 C50 H50 119.6 . .
C51 C50 H50 119.6 . .
C50 C51 C52 121.1(3) . .
C50 C51 H51 119.5 . .
C52 C51 H51 119.5 . .
C53 C52 C51 117.9(3) . .
C53 C52 C56 120.1(3) . .
C51 C52 C56 122.0(3) . .
C52 C53 C54 121.2(3) . .
C52 C53 H53 119.4 . .
C54 C53 H53 119.4 . .
C49 C54 C53 120.9(3) . .
C49 C54 H54 119.5 . .
C53 C54 H54 119.5 . .
O6 C55 O5 124.2(3) . .
O6 C55 C49 121.5(3) . .
O5 C55 C49 114.3(3) . .
O8 C56 O7 123.5(3) . .
O8 C56 C52 120.3(3) . .
O7 C56 C52 116.2(3) . .
N9 C57 H57A 109.5 . .
N9 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N9 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
N9 C58 H58A 109.5 . .
N9 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
N9 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
O13 C59 N9 123.2(7) . .
O13 C59 H59 118.4 . .
N9 C59 H59 118.4 . .
N10 C60 H60A 109.5 . .
N10 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N10 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N10 C61 H61A 109.5 . .
N10 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
N10 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
O14 C62 N10 123.5(6) . .
O14 C62 H62 118.3 . .
N10 C62 H62 118.3 . .
N11 C63 H63A 109.5 . .
N11 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N11 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
N11 C64 H64A 109.5 . .
N11 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N11 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O15 C65 N11 118.5(7) . .
O15 C65 H65 120.7 . .
N11 C65 H65 120.7 . .
C59 N9 C57 123.7(4) . .
C59 N9 C58 118.6(4) . .
C57 N9 C58 117.7(3) . .
C62 N10 C61 125.1(4) . .
C62 N10 C60 119.1(4) . .
C61 N10 C60 115.8(3) . .
C65 N11 C63 125.6(4) . .
C65 N11 C64 120.6(4) . .
C63 N11 C64 113.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 1.9232(19) .
Zn1 O2 1.9470(19) .
Zn1 N1 2.015(2) .
Zn1 N4 2.026(2) .
Zn2 O7 1.9467(19) 1_545
Zn2 O3 1.9532(18) .
Zn2 N8 2.018(2) .
Zn2 N5 2.056(2) .
O1 C41 1.221(4) .
O2 C41 1.287(3) .
O3 C48 1.289(3) .
O4 C48 1.230(3) .
O5 C55 1.284(4) .
O6 C55 1.225(4) .
O7 C56 1.279(3) .
O7 Zn2 1.9467(19) 1_565
O8 C56 1.232(4) .
O9 C10 1.412(4) .
O9 C9 1.434(4) .
O10 C12 1.415(4) .
O10 C11 1.416(4) .
O11 C30 1.391(5) .
O11 C29 1.425(5) .
O12 C32 1.385(5) .
O12 C31 1.417(5) .
N1 C7 1.319(4) .
N1 C1 1.392(4) .
N2 C7 1.343(4) .
N2 C2 1.387(4) .
N2 C8 1.483(4) .
N3 C20 1.338(4) .
N3 C14 1.384(4) .
N3 C13 1.470(4) .
N4 C20 1.322(4) .
N4 C15 1.402(4) .
N5 C27 1.315(4) .
N5 C21 1.402(4) .
N6 C27 1.345(4) .
N6 C22 1.383(4) .
N6 C28 1.457(4) .
N7 C40 1.350(4) .
N7 C34 1.382(5) .
N7 C33 1.476(5) .
N8 C40 1.318(4) .
N8 C35 1.399(4) .
C1 C6 1.381(5) .
C1 C2 1.396(4) .
C2 C3 1.397(5) .
C3 C4 1.367(6) .
C3 H3 0.9300 .
C4 C5 1.392(6) .
C4 H4 0.9300 .
C5 C6 1.384(5) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.457(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.485(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.495(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C19 1.394(4) .
C14 C15 1.395(4) .
C15 C16 1.388(4) .
C16 C17 1.387(4) .
C16 H16 0.9300 .
C17 C18 1.398(5) .
C17 H17 0.9300 .
C18 C19 1.365(5) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C26 1.392(4) .
C21 C22 1.394(4) .
C22 C23 1.398(4) .
C23 C24 1.367(5) .
C23 H23 0.9300 .
C24 C25 1.400(5) .
C24 H24 0.9300 .
C25 C26 1.376(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.489(6) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.454(7) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.457(6) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.389(4) .
C34 C39 1.398(5) .
C35 C36 1.384(5) .
C36 C37 1.383(5) .
C36 H36 0.9300 .
C37 C38 1.385(6) .
C37 H37 0.9300 .
C38 C39 1.353(6) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.507(4) .
C42 C47 1.386(4) .
C42 C43 1.388(4) .
C43 C44 1.379(4) .
C43 H43 0.9300 .
C44 C45 1.386(4) .
C44 H44 0.9300 .
C45 C46 1.388(4) .
C45 C48 1.498(4) .
C46 C47 1.377(4) .
C46 H46 0.9300 .
C47 H47 0.9300 .
C49 C54 1.380(4) .
C49 C50 1.381(4) .
C49 C55 1.508(4) .
C50 C51 1.381(4) .
C50 H50 0.9300 .
C51 C52 1.388(4) .
C51 H51 0.9300 .
C52 C53 1.374(4) .
C52 C56 1.506(4) .
C53 C54 1.382(4) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C57 N9 1.404(6) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 N9 1.474(6) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 O13 1.140(6) .
C59 N9 1.390(6) .
C59 H59 0.9300 .
C60 N10 1.454(6) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C61 N10 1.376(6) .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C62 O14 1.181(7) .
C62 N10 1.326(6) .
C62 H62 0.9300 .
C63 N11 1.414(6) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 N11 1.477(6) .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 O15 1.297(7) .
C65 N11 1.300(7) .
C65 H65 0.9300 .
O16 O16 1.815(16) 3_656
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
O5 Zn1 O2 C41 -61.0(2) .
N1 Zn1 O2 C41 70.4(2) .
N4 Zn1 O2 C41 177.3(2) .
O7 Zn2 O3 C48 68.6(2) 1_545
N8 Zn2 O3 C48 -66.1(2) .
N5 Zn2 O3 C48 -172.85(19) .
O2 Zn1 O5 C55 -176.0(2) .
N1 Zn1 O5 C55 55.7(3) .
N4 Zn1 O5 C55 -62.0(2) .
O5 Zn1 N1 C7 -156.2(2) .
O2 Zn1 N1 C7 76.6(3) .
N4 Zn1 N1 C7 -31.3(3) .
O5 Zn1 N1 C1 29.1(3) .
O2 Zn1 N1 C1 -98.0(3) .
N4 Zn1 N1 C1 154.1(2) .
O5 Zn1 N4 C20 61.6(3) .
O2 Zn1 N4 C20 179.6(2) .
N1 Zn1 N4 C20 -65.2(2) .
O5 Zn1 N4 C15 -120.8(2) .
O2 Zn1 N4 C15 -2.7(3) .
N1 Zn1 N4 C15 112.4(2) .
O7 Zn2 N5 C27 -51.2(3) 1_545
O3 Zn2 N5 C27 -167.1(2) .
N8 Zn2 N5 C27 76.2(3) .
O7 Zn2 N5 C21 137.2(2) 1_545
O3 Zn2 N5 C21 21.3(3) .
N8 Zn2 N5 C21 -95.4(2) .
O7 Zn2 N8 C40 49.1(3) 1_545
O3 Zn2 N8 C40 179.7(2) .
N5 Zn2 N8 C40 -74.8(3) .
O7 Zn2 N8 C35 -146.5(2) 1_545
O3 Zn2 N8 C35 -15.9(3) .
N5 Zn2 N8 C35 89.6(2) .
C7 N1 C1 C6 179.1(3) .
Zn1 N1 C1 C6 -5.4(5) .
C7 N1 C1 C2 0.1(3) .
Zn1 N1 C1 C2 175.5(2) .
C7 N2 C2 C1 1.6(4) .
C8 N2 C2 C1 -177.5(3) .
C7 N2 C2 C3 -177.2(4) .
C8 N2 C2 C3 3.7(6) .
C6 C1 C2 N2 179.8(3) .
N1 C1 C2 N2 -1.1(3) .
C6 C1 C2 C3 -1.3(5) .
N1 C1 C2 C3 177.8(3) .
N2 C2 C3 C4 179.0(4) .
C1 C2 C3 C4 0.4(6) .
C2 C3 C4 C5 0.2(7) .
C3 C4 C5 C6 0.0(8) .
N1 C1 C6 C5 -177.5(3) .
C2 C1 C6 C5 1.4(5) .
C4 C5 C6 C1 -0.8(7) .
C1 N1 C7 N2 1.0(4) .
Zn1 N1 C7 N2 -174.8(2) .
C2 N2 C7 N1 -1.7(4) .
C8 N2 C7 N1 177.5(3) .
C7 N2 C8 C9 75.7(5) .
C2 N2 C8 C9 -105.3(4) .
C10 O9 C9 C8 -179.0(3) .
N2 C8 C9 O9 -66.5(4) .
C9 O9 C10 C11 176.6(3) .
C12 O10 C11 C10 175.1(3) .
O9 C10 C11 O10 70.3(4) .
C11 O10 C12 C13 172.3(3) .
C20 N3 C13 C12 100.3(4) .
C14 N3 C13 C12 -69.3(4) .
O10 C12 C13 N3 -61.8(4) .
C20 N3 C14 C19 179.2(3) .
C13 N3 C14 C19 -9.6(5) .
C20 N3 C14 C15 0.4(3) .
C13 N3 C14 C15 171.6(3) .
N3 C14 C15 C16 178.9(3) .
C19 C14 C15 C16 -0.1(5) .
N3 C14 C15 N4 0.1(3) .
C19 C14 C15 N4 -178.8(3) .
C20 N4 C15 C16 -179.1(3) .
Zn1 N4 C15 C16 2.9(5) .
C20 N4 C15 C14 -0.5(3) .
Zn1 N4 C15 C14 -178.49(19) .
C14 C15 C16 C17 0.4(4) .
N4 C15 C16 C17 178.9(3) .
C15 C16 C17 C18 0.6(5) .
C16 C17 C18 C19 -2.1(6) .
C17 C18 C19 C14 2.3(5) .
N3 C14 C19 C18 -179.9(3) .
C15 C14 C19 C18 -1.3(5) .
C15 N4 C20 N3 0.8(3) .
Zn1 N4 C20 N3 178.9(2) .
C14 N3 C20 N4 -0.7(4) .
C13 N3 C20 N4 -172.0(3) .
C27 N5 C21 C26 -179.2(3) .
Zn2 N5 C21 C26 -6.4(5) .
C27 N5 C21 C22 0.0(3) .
Zn2 N5 C21 C22 172.8(2) .
C27 N6 C22 C21 -0.2(3) .
C28 N6 C22 C21 -175.8(3) .
C27 N6 C22 C23 -179.2(4) .
C28 N6 C22 C23 5.2(6) .
C26 C21 C22 N6 179.4(3) .
N5 C21 C22 N6 0.1(3) .
C26 C21 C22 C23 -1.5(5) .
N5 C21 C22 C23 179.3(3) .
N6 C22 C23 C24 -179.9(4) .
C21 C22 C23 C24 1.2(5) .
C22 C23 C24 C25 -0.1(6) .
C23 C24 C25 C26 -1.0(7) .
C24 C25 C26 C21 0.8(6) .
C22 C21 C26 C25 0.4(5) .
N5 C21 C26 C25 179.5(3) .
C21 N5 C27 N6 -0.1(3) .
Zn2 N5 C27 N6 -173.4(2) .
C22 N6 C27 N5 0.2(4) .
C28 N6 C27 N5 175.8(3) .
C27 N6 C28 C29 -84.0(4) .
C22 N6 C28 C29 90.8(4) .
C30 O11 C29 C28 169.9(4) .
N6 C28 C29 O11 61.2(4) .
C29 O11 C30 C31 -179.8(4) .
C32 O12 C31 C30 172.9(4) .
O11 C30 C31 O12 -68.3(6) .
C31 O12 C32 C33 175.9(4) .
O12 C32 C33 N7 54.5(5) .
C40 N7 C33 C32 35.7(6) .
C34 N7 C33 C32 -142.6(4) .
C40 N7 C34 C35 0.6(3) .
C33 N7 C34 C35 179.2(3) .
C40 N7 C34 C39 -179.2(3) .
C33 N7 C34 C39 -0.6(6) .
N7 C34 C35 C36 -179.6(3) .
C39 C34 C35 C36 0.1(5) .
N7 C34 C35 N8 -0.4(3) .
C39 C34 C35 N8 179.4(3) .
C40 N8 C35 C36 179.2(3) .
Zn2 N8 C35 C36 12.4(5) .
C40 N8 C35 C34 0.0(3) .
Zn2 N8 C35 C34 -166.8(2) .
C34 C35 C36 C37 -0.1(5) .
N8 C35 C36 C37 -179.1(3) .
C35 C36 C37 C38 0.0(6) .
C36 C37 C38 C39 0.0(7) .
C37 C38 C39 C34 0.1(6) .
N7 C34 C39 C38 179.5(4) .
C35 C34 C39 C38 -0.2(5) .
C35 N8 C40 N7 0.3(3) .
Zn2 N8 C40 N7 167.6(2) .
C34 N7 C40 N8 -0.6(4) .
C33 N7 C40 N8 -179.2(3) .
Zn1 O2 C41 O1 2.4(4) .
Zn1 O2 C41 C42 -177.42(19) .
O1 C41 C42 C47 -172.4(3) .
O2 C41 C42 C47 7.5(4) .
O1 C41 C42 C43 6.2(5) .
O2 C41 C42 C43 -173.9(3) .
C47 C42 C43 C44 1.4(5) .
C41 C42 C43 C44 -177.2(3) .
C42 C43 C44 C45 -0.8(5) .
C43 C44 C45 C46 -0.3(5) .
C43 C44 C45 C48 -179.4(3) .
C44 C45 C46 C47 0.6(5) .
C48 C45 C46 C47 179.7(3) .
C45 C46 C47 C42 0.1(5) .
C43 C42 C47 C46 -1.1(5) .
C41 C42 C47 C46 177.5(3) .
Zn2 O3 C48 O4 2.3(4) .
Zn2 O3 C48 C45 -178.34(17) .
C44 C45 C48 O4 158.2(3) .
C46 C45 C48 O4 -20.9(4) .
C44 C45 C48 O3 -21.2(4) .
C46 C45 C48 O3 159.7(3) .
C54 C49 C50 C51 0.1(5) .
C55 C49 C50 C51 179.6(3) .
C49 C50 C51 C52 0.6(6) .
C50 C51 C52 C53 -0.5(5) .
C50 C51 C52 C56 -179.2(3) .
C51 C52 C53 C54 -0.2(5) .
C56 C52 C53 C54 178.5(3) .
C50 C49 C54 C53 -0.7(5) .
C55 C49 C54 C53 179.8(3) .
C52 C53 C54 C49 0.8(6) .
Zn1 O5 C55 O6 5.6(4) .
Zn1 O5 C55 C49 -173.89(18) .
C54 C49 C55 O6 -172.1(3) .
C50 C49 C55 O6 8.4(5) .
C54 C49 C55 O5 7.3(4) .
C50 C49 C55 O5 -172.2(3) .
Zn2 O7 C56 O8 0.0(4) 1_565
Zn2 O7 C56 C52 179.42(18) 1_565
C53 C52 C56 O8 -2.1(5) .
C51 C52 C56 O8 176.5(3) .
C53 C52 C56 O7 178.4(3) .
C51 C52 C56 O7 -2.9(4) .
O13 C59 N9 C57 -21.4(13) .
O13 C59 N9 C58 157.5(8) .
O14 C62 N10 C61 -178.0(7) .
O14 C62 N10 C60 1.6(10) .
O15 C65 N11 C63 -174.8(6) .
O15 C65 N11 C64 -3.4(10) .
