#------------------------------------------------------------------------------
#$Date: 2016-04-05 22:15:48 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181776 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/52/7055206.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_7055206
loop_
_publ_author_name
'Yao, Wan-Ting'
'Luo, Ming-Biao'
'Feng, Xue-Feng'
'Meng, Pan-Pan'
'Gong, Le-Le'
'Luo, Feng'
_publ_section_title
;
 Construction of structural diversity and fine-tuned porosity in acylamide
 MOFs by a synthetic approach
;
_journal_issue                   3
_journal_name_full               'New J. Chem.'
_journal_page_first              2021
_journal_paper_doi               10.1039/C5NJ02634B
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C152 H104 N23 O24 Zn4'
_chemical_formula_weight         2898.06
_chemical_name_systematic        Zn4(AzDC)4(L)4(DMF)4.5
_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_block_doi                 10.5517/cc1jgf4k
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-21 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.338(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8330(14)
_cell_length_b                   29.227(2)
_cell_length_c                   53.531(4)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.36
_cell_measurement_theta_min      2.26
_cell_volume                     26175(3)
_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 0.457
_diffrn_measured_fraction_theta_max 0.457
_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  0.0731
_diffrn_reflns_av_sigmaI/netI    0.0971
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       63
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            27947
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         0.77
_exptl_absorpt_coefficient_mu    0.405
_exptl_absorpt_correction_T_max  0.9307
_exptl_absorpt_correction_T_min  0.9234
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'orange '
_exptl_crystal_density_diffrn    0.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Flake
_exptl_crystal_F_000             5956
_exptl_crystal_preparation       'Selective gas adsorption'
_exptl_crystal_recrystallization_method 'Hydrothermal method '
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.290
_refine_diff_density_min         -1.540
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         10504
_refine_ls_number_restraints     695
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.2007
_refine_ls_R_factor_gt           0.1719
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.4300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5027
_refine_ls_wR_factor_ref         0.5265
_reflns_number_gt                6620
_reflns_number_total             10504
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj02634b2.cif
_cod_data_source_block           140404lf25_0m
_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.

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

 Adding full bibliography for 7055203--7055206.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7055206
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
C1 C -0.3342(19) 0.0921(6) 0.1539(4) 0.060(6) Uani 1 1 d U
C2 C -0.3757(15) 0.0919(5) 0.1807(3) 0.052(5) Uani 1 1 d U
C3 C -0.4586(10) 0.1014(3) 0.17636(17) 0.079(6) Uani 1 1 d U
H3 H -0.4826 0.1089 0.1604 0.095 Uiso 1 1 calc R
C4 C -0.5027(10) 0.0989(3) 0.19680(17) 0.165(13) Uani 1 1 d RU
H4 H -0.5571 0.1054 0.1947 0.198 Uiso 1 1 d R
C5 C -0.4654(10) 0.0868(3) 0.22034(17) 0.057(5) Uani 1 1 d RU
C6 C -0.3841(10) 0.0771(3) 0.22344(17) 0.065(6) Uani 1 1 d RU
H6 H -0.3592 0.0690 0.2392 0.078 Uiso 1 1 d R
C7 C -0.3400(10) 0.0795(3) 0.20299(17) 0.095(7) Uani 1 1 d RU
H7 H -0.2856 0.0730 0.2051 0.114 Uiso 1 1 d R
C8 C -0.2786(14) 0.0186(5) 0.0963(3) 0.054(5) Uani 1 1 d U
C9 C -0.3251(16) 0.0091(7) 0.0713(3) 0.073(6) Uani 1 1 d U
C10 C -0.3547(7) 0.0455(3) 0.05570(13) 0.063(5) Uani 1 1 d U
H10 H -0.3389 0.0753 0.0598 0.075 Uiso 1 1 calc R
C11 C -0.4074(7) 0.0373(3) 0.03431(13) 0.066(5) Uani 1 1 d RU
H11 H -0.4258 0.0614 0.0239 0.079 Uiso 1 1 d R
C12 C -0.4326(7) -0.0071(3) 0.02841(13) 0.058(5) Uani 1 1 d RU
C13 C -0.4051(7) -0.0432(3) 0.04390(13) 0.071(6) Uani 1 1 d RU
H13 H -0.4220 -0.0729 0.0400 0.085 Uiso 1 1 d R
C14 C -0.3524(7) -0.0350(3) 0.06529(13) 0.070(6) Uani 1 1 d RU
H14 H -0.3340 -0.0592 0.0757 0.084 Uiso 1 1 d R
C15 C 1.1327(15) -0.0699(5) 0.1012(2) 0.071(6) Uani 1 1 d DU
C16 C 1.1050(14) -0.0534(5) 0.0750(3) 0.054(5) Uani 1 1 d U
C17 C 1.1244(7) -0.0074(3) 0.07126(13) 0.070(6) Uani 1 1 d U
H17 H 1.1546 0.0090 0.0838 0.084 Uiso 1 1 calc R
C18 C 1.0977(7) 0.0132(3) 0.04846(13) 0.057(5) Uani 1 1 d RU
H18 H 1.1091 0.0438 0.0458 0.068 Uiso 1 1 d R
C19 C 1.0539(7) -0.0120(3) 0.02968(13) 0.084(7) Uani 1 1 d RU
C20 C 1.0368(7) -0.0578(3) 0.03370(13) 0.079(6) Uani 1 1 d RU
H20 H 1.0075 -0.0747 0.0211 0.095 Uiso 1 1 d R
C21 C 1.0635(7) -0.0784(3) 0.05650(13) 0.058(5) Uani 1 1 d RU
H21 H 1.0521 -0.1090 0.0592 0.069 Uiso 1 1 d R
C22 C 1.2475(17) -0.1495(6) 0.1616(4) 0.061(6) Uani 1 1 d U
C23 C 1.3115(15) -0.1492(5) 0.1850(3) 0.051(5) Uani 1 1 d U
C24 C 1.2884(9) -0.1367(3) 0.20723(17) 0.101(7) Uani 1 1 d U
H24 H 1.2359 -0.1284 0.2089 0.121 Uiso 1 1 calc R
C25 C 1.3471(9) -0.1369(3) 0.22765(17) 0.0618(16) Uani 1 1 d RU
H25 H 1.3342 -0.1288 0.2435 0.074 Uiso 1 1 d R
C26 C 1.4251(9) -0.1490(3) 0.22436(17) 0.0618(16) Uani 1 1 d RU
C27 C 1.4444(9) -0.1610(3) 0.20064(17) 0.163(12) Uani 1 1 d RU
H27 H 1.4966 -0.1692 0.1984 0.195 Uiso 1 1 d R
C28 C 1.3857(9) -0.1609(3) 0.18022(17) 0.092(7) Uani 1 1 d RU
H28 H 1.3986 -0.1689 0.1643 0.110 Uiso 1 1 d R
C29 C 0.7593(14) -0.0481(5) 0.1888(2) 0.049(5) Uani 1 1 d U
C30 C 0.9510(7) -0.0922(2) 0.12937(12) 0.019(4) Uani 1 1 d U
H30 H 0.9591 -0.0935 0.1125 0.023 Uiso 1 1 calc R
C31 C 0.8790(7) -0.0756(2) 0.13620(12) 0.059(5) Uani 1 1 d RU
H31 H 0.8395 -0.0656 0.1239 0.071 Uiso 1 1 d R
C32 C 0.8663(7) -0.0739(2) 0.16140(12) 0.081(7) Uani 1 1 d RU
C33 C 0.9254(7) -0.0888(2) 0.17977(12) 0.078(6) Uani 1 1 d RU
H33 H 0.9169 -0.0877 0.1966 0.093 Uiso 1 1 d R
C34 C 0.9973(7) -0.1054(2) 0.17294(12) 0.057(5) Uani 1 1 d RU
H34 H 1.0369 -0.1154 0.1852 0.069 Uiso 1 1 d R
C35 C 0.1754(14) -0.0065(5) 0.1889(2) 0.045(5) Uani 1 1 d U
C36 C -0.0491(3) 0.03914(11) 0.12634(5) 0.0618(16) Uani 1 1 d U
H36 H -0.0645 0.0451 0.1094 0.074 Uiso 1 1 calc R
C37 C 0.0266(3) 0.02164(11) 0.13385(5) 0.0618(16) Uani 1 1 d RU
H37 H 0.0616 0.0157 0.1220 0.074 Uiso 1 1 d R
C38 C 0.0500(3) 0.01305(11) 0.15914(5) 0.045(4) Uani 1 1 d RU
C39 C -0.0023(3) 0.02194(11) 0.17691(5) 0.104(8) Uani 1 1 d RU
H39 H 0.0133 0.0162 0.1938 0.125 Uiso 1 1 d R
C40 C -0.0780(3) 0.03943(11) 0.16940(5) 0.119(9) Uani 1 1 d RU
H40 H -0.1130 0.0454 0.1813 0.142 Uiso 1 1 d R
C41 C 0.2558(3) -0.01780(11) 0.18860(5) 0.057(5) Uani 1 1 d RU
C42 C 0.2912(3) -0.03212(11) 0.16768(5) 0.035(4) Uani 1 1 d RU
H42 H 0.2597 -0.0384 0.1527 0.042 Uiso 1 1 d R
C43 C 0.3737(3) -0.03701(11) 0.16915(5) 0.060(5) Uani 1 1 d RU
H43 H 0.3974 -0.0466 0.1552 0.072 Uiso 1 1 d R
C44 C 0.4209(3) -0.02757(11) 0.19155(5) 0.088(7) Uani 1 1 d RU
C45 C 0.3854(3) -0.01325(11) 0.21247(5) 0.053(5) Uani 1 1 d RU
H45 H 0.4170 -0.0069 0.2275 0.064 Uiso 1 1 d R
C46 C 0.3029(3) -0.00836(11) 0.21099(5) 0.040(5) Uani 1 1 d RU
H46 H 0.2792 0.0012 0.2250 0.047 Uiso 1 1 d R
C47 C 0.5144(3) -0.03001(11) 0.19121(5) 0.052(5) Uani 1 1 d RU
C48 C 0.5460(3) -0.02135(11) 0.16878(5) 0.044(5) Uani 1 1 d RU
H48 H 0.5129 -0.0114 0.1548 0.053 Uiso 1 1 d R
C49 C 0.6272(3) -0.02760(11) 0.16726(5) 0.051(5) Uani 1 1 d RU
H49 H 0.6484 -0.0218 0.1523 0.061 Uiso 1 1 d R
C50 C 0.6767(3) -0.04251(11) 0.18818(5) 0.035(4) Uani 1 1 d RU
C51 C 0.6451(3) -0.05116(11) 0.21062(5) 0.078(6) Uani 1 1 d RU
H51 H 0.6782 -0.0611 0.2246 0.093 Uiso 1 1 d R
C52 C 0.5639(3) -0.04491(11) 0.21213(5) 0.091(7) Uani 1 1 d RU
H52 H 0.5427 -0.0507 0.2271 0.109 Uiso 1 1 d R
C53 C -0.2032(3) 0.17528(11) 0.14200(5) 0.0618(16) Uani 1 1 d RU
H53 H -0.2327 0.1656 0.1547 0.074 Uiso 1 1 d R
C54 C -0.1910(3) 0.22172(11) 0.13830(5) 0.0618(16) Uani 1 1 d RU
H54 H -0.2123 0.2431 0.1486 0.074 Uiso 1 1 d R
C55 C -0.1470(3) 0.23618(11) 0.11927(5) 0.0618(16) Uani 1 1 d RU
C56 C -0.1152(3) 0.20421(11) 0.10393(5) 0.059(5) Uani 1 1 d RU
H56 H -0.0857 0.2139 0.0912 0.071 Uiso 1 1 d R
C57 C -0.1273(3) 0.15777(11) 0.10763(5) 0.114(8) Uani 1 1 d RU
H57 H -0.1060 0.1364 0.0974 0.136 Uiso 1 1 d R
C63 C -0.1593(3) 0.37810(11) 0.10091(5) 0.057(5) Uani 1 1 d RU
H63 H -0.2076 0.3624 0.0995 0.069 Uiso 1 1 d R
C64 C -0.0876(3) 0.35406(11) 0.10384(5) 0.177(8) Uani 1 1 d RU
C65 C -0.0154(3) 0.37755(11) 0.10597(5) 0.177(8) Uani 1 1 d RU
H65 H 0.0326 0.3615 0.1079 0.212 Uiso 1 1 d R
C66 C -0.0148(3) 0.42508(11) 0.10516(5) 0.050(5) Uani 1 1 d RU
H66 H 0.0335 0.4408 0.1066 0.060 Uiso 1 1 d R
C67 C -0.0865(3) 0.44912(11) 0.10223(5) 0.046(5) Uani 1 1 d RU
C68 C -0.1587(3) 0.42563(11) 0.10010(5) 0.101(8) Uani 1 1 d RU
H68 H -0.2067 0.4417 0.0981 0.121 Uiso 1 1 d R
C69 C -0.0712(15) 0.3017(11) 0.1049(7) 0.177(8) Uani 1 1 d DU
C71 C -0.1424(8) 0.5732(3) 0.11113(13) 0.081(7) Uani 1 1 d U
H71 H -0.1854 0.5895 0.1161 0.097 Uiso 1 1 calc R
C72 C -0.1458(8) 0.5258(3) 0.10946(13) 0.085(7) Uani 1 1 d RU
H72 H -0.1912 0.5103 0.1133 0.102 Uiso 1 1 d R
C73 C -0.0814(8) 0.5015(3) 0.10207(13) 0.103(8) Uani 1 1 d RU
C74 C -0.0135(8) 0.5246(3) 0.09635(13) 0.057(5) Uani 1 1 d RU
H74 H 0.0296 0.5083 0.0914 0.068 Uiso 1 1 d R
C75 C -0.0101(8) 0.5720(3) 0.09803(13) 0.052(5) Uani 1 1 d RU
H75 H 0.0353 0.5875 0.0942 0.063 Uiso 1 1 d R
C76 C -0.0745(8) 0.5963(3) 0.10542(13) 0.23(2) Uani 1 1 d RU
C77 C -0.0738(10) 0.6463(7) 0.1013(4) 0.090(7) Uani 1 1 d DU
N1 N -0.1732(11) 0.1424(4) 0.1262(2) 0.047(3) Uani 1 1 d U
N2 N -0.1358(12) 0.2830(5) 0.1175(2) 0.063(5) Uani 1 1 d DU
H2 H -0.1678 0.3013 0.1240 0.076 Uiso 1 1 calc R
N3 N -0.5178(16) 0.0867(6) 0.2408(3) 0.095(6) Uani 1 1 d U
N4 N -0.4747(15) -0.0182(5) 0.0036(3) 0.102(6) Uani 1 1 d U
N5 N -0.1012(11) 0.0477(4) 0.1439(2) 0.056(4) Uani 1 1 d U
N6 N 0.1288(12) -0.0060(4) 0.1652(2) 0.064(5) Uani 1 1 d U
H6A H 0.1499 -0.0186 0.1529 0.077 Uiso 1 1 calc R
N7 N 0.7997(9) -0.0581(3) 0.16574(17) 0.095(6) Uani 1 1 d U
H7A H 0.7700 -0.0513 0.1521 0.114 Uiso 1 1 calc R
N8 N 1.0098(9) -0.1065(3) 0.14733(17) 0.055(4) Uani 1 1 d RU
N9 N 1.5000 -0.1478(6) 0.2500 0.054(5) Uani 1 2 d SU
N10 N 1.0203(13) 0.0094(4) 0.0060(2) 0.060(5) Uani 1 1 d U
N12 N 0.0028(5) 0.66111(19) 0.11362(10) 0.069(5) Uani 1 1 d DU
H12 H 0.0377 0.6403 0.1180 0.082 Uiso 1 1 calc R
C58 C 0.1152(5) 0.76216(19) 0.14244(10) 0.038(3) Uani 1 1 d RU
H58 H 0.1582 0.7677 0.1545 0.046 Uiso 1 1 d R
C59 C 0.0898(5) 0.71756(19) 0.13732(10) 0.087(7) Uani 1 1 d RU
H59 H 0.1157 0.6933 0.1460 0.105 Uiso 1 1 d R
C60 C 0.0256(5) 0.70926(19) 0.11924(10) 0.055(5) Uani 1 1 d RU
C61 C -0.0132(5) 0.74557(19) 0.10629(10) 0.0618(16) Uani 1 1 d RU
H61 H -0.0561 0.7400 0.0942 0.074 Uiso 1 1 d R
C62 C 0.0123(5) 0.79017(19) 0.11142(10) 0.0618(16) Uani 1 1 d RU
H62 H -0.0137 0.8145 0.1028 0.074 Uiso 1 1 d R
N11 N 0.0764(5) 0.79846(19) 0.12949(10) 0.039(4) Uani 1 1 d RU
O1 O 0.8233(11) -0.0537(5) 0.2086(2) 0.089(5) Uani 1 1 d U
O2 O 0.1461(11) 0.0024(4) 0.20749(19) 0.082(4) Uani 1 1 d U
O3 O -0.2721(11) -0.0090(4) 0.1146(3) 0.085(5) Uani 1 1 d U
O4 O -0.2421(10) 0.0597(4) 0.09821(18) 0.066(4) Uani 1 1 d U
O5 O -0.3569(8) 0.1088(3) 0.13710(16) 0.034(3) Uani 1 1 d U
O6 O -0.2692(11) 0.0777(4) 0.15966(18) 0.051(4) Uani 1 1 d U
O7 O 1.2525(8) -0.1657(3) 0.14249(17) 0.043(3) Uani 1 1 d U
O8 O 1.1820(11) -0.1339(3) 0.16824(17) 0.055(4) Uani 1 1 d U
O9 O 1.1114(8) -0.1125(3) 0.10238(14) 0.039(3) Uani 1 1 d DU
O10 O 1.1604(9) -0.0475(3) 0.11884(15) 0.058(4) Uani 1 1 d DU
O11 O -0.0127(14) 0.2856(6) 0.0956(3) 0.121(6) Uani 1 1 d DU
O12 O -0.1553(11) 0.6675(4) 0.1049(2) 0.083(5) Uani 1 1 d U
Zn1 Zn 1.10967(15) -0.13605(5) 0.13635(3) 0.0368(10) Uani 1 1 d U
Zn2 Zn -0.20483(15) 0.07760(5) 0.13160(3) 0.0365(10) Uani 1 1 d U
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'
O O 0.0106 0.0060 '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'
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 C1 O6 129(3) . .
O5 C1 C2 126(3) . .
O6 C1 C2 103.7(17) . .
C7 C2 C3 122.9(16) . .
C7 C2 C1 125.8(19) . .
C3 C2 C1 110.8(15) . .
C4 C3 C2 117.5(7) . .
C4 C3 H3 121.3 . .
C2 C3 H3 121.3 . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 N3 124.9(10) . .
C4 C5 N3 115.1(10) . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C2 C7 C6 119.6(11) . .
C2 C7 H7 120.4 . .
C6 C7 H7 120.0 . .
O3 C8 O4 120.8(17) . .
O3 C8 C9 124.4(17) . .
O4 C8 C9 114.8(14) . .
C14 C9 C10 118.4(16) . .
C14 C9 C8 120.2(14) . .
C10 C9 C8 120.2(14) . .
C11 C10 C9 120.5(9) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C11 C10 120.0 . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 120.0 . .
C11 C12 N4 121.0(7) . .
C13 C12 N4 117.8(7) . .
C14 C13 C12 120.0 . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C9 121.0(9) . .
C13 C14 H14 120.0 . .
C9 C14 H14 119.0 . .
O10 C15 O9 124.8(13) . .
O10 C15 C16 127.5(14) . .
O9 C15 C16 107.1(11) . .
C21 C16 C17 121.2(13) . .
C21 C16 C15 125.9(14) . .
C17 C16 C15 112.9(13) . .
C16 C17 C18 118.9(8) . .
C16 C17 H17 120.6 . .
C18 C17 H17 120.6 . .
C17 C18 C19 120.0 . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C20 C19 C18 120.0 . .
C20 C19 N10 118.5(6) . .
C18 C19 N10 121.4(6) . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C16 C21 C20 119.8(7) . .
C16 C21 H21 120.1 . .
C20 C21 H21 120.0 . .
O7 C22 O8 123(2) . .
O7 C22 C23 128(3) . .
O8 C22 C23 108.2(17) . .
O7 C22 Zn1 75.3(15) . .
O8 C22 Zn1 48.7(11) . .
C23 C22 Zn1 156.9(17) . .
C24 C23 C28 127.2(17) . .
C24 C23 C22 118(2) . .
C28 C23 C22 114.6(15) . .
C23 C24 C25 116.4(11) . .
C23 C24 H24 121.8 . .
C25 C24 H24 121.8 . .
C24 C25 C26 120.0 . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C25 C26 C27 120.0 . .
C25 C26 N9 120.1(5) . .
C27 C26 N9 119.9(4) . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C23 C28 C27 116.3(8) . .
C23 C28 H28 123.7 . .
C27 C28 H28 120.0 . .
C50 C29 O1 133.9(12) . .
C50 C29 N7 123.0(12) . .
O1 C29 N7 102.4(16) . .
N8 C30 C31 120.4(6) . .
N8 C30 H30 119.8 . .
C31 C30 H30 119.8 . .
C32 C31 C30 120.0 . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
N7 C32 C33 124.6(5) . .
N7 C32 C31 115.4(5) . .
C33 C32 C31 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 N8 119.4(7) . .
C33 C34 H34 120.0 . .
N8 C34 H34 120.6 . .
O2 C35 C41 123.6(15) . .
O2 C35 N6 121(2) . .
C41 C35 N6 115.8(12) . .
N5 C36 C37 120.1(6) . .
N5 C36 H36 119.9 . .
C37 C36 H36 119.9 . .
C36 C37 C38 120.0 . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C39 C38 C37 120.0 . .
C39 C38 N6 123.7(5) . .
C37 C38 N6 116.2(5) . .
C40 C39 C38 120.0 . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C39 C40 N5 119.6(8) . .
C39 C40 H40 120.0 . .
N5 C40 H40 120.4 . .
C35 C41 C42 125.6(5) . .
C35 C41 C46 114.0(5) . .
C42 C41 C46 120.0 . .
C43 C42 C41 120.0 . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C42 C43 C44 120.0 . .
C42 C43 H43 120.0 . .
C44 C43 H43 120.0 . .
C45 C44 C43 120.0 . .
C45 C44 C47 122.7 . .
C43 C44 C47 117.1 . .
C46 C45 C44 120.0 . .
C46 C45 H45 120.0 . .
C44 C45 H45 120.0 . .
C45 C46 C41 120.0 . .
C45 C46 H46 120.0 . .
C41 C46 H46 120.0 . .
C52 C47 C48 120.0 . .
C52 C47 C44 121.0 . .
C48 C47 C44 118.7 . .
C47 C48 C49 120.0 . .
C47 C48 H48 120.0 . .
C49 C48 H48 120.0 . .
C50 C49 C48 120.0 . .
C50 C49 H49 120.0 . .
C48 C49 H49 120.0 . .
C29 C50 C49 124.2(5) . .
C29 C50 C51 115.8(5) . .
C49 C50 C51 120.0 . .
C52 C51 C50 120.0 . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C51 C52 C47 120.0 . .
C51 C52 H52 120.0 . .
C47 C52 H52 120.0 . .
C54 C53 N1 120.8(5) . .
C54 C53 H53 120.0 . .
N1 C53 H53 119.2 . .
C55 C54 C53 120.0 . .
C55 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
N2 C55 C54 116.0(6) . .
N2 C55 C56 124.0(6) . .
C54 C55 C56 120.0 . .
C57 C56 C55 120.0 . .
C57 C56 H56 120.0 . .
C55 C56 H56 120.0 . .
C56 C57 N1 121.1(5) . .
C56 C57 H57 120.0 . .
N1 C57 H57 118.9 . .
C64 C63 C68 120.0 . .
C64 C63 H63 120.0 . .
C68 C63 H63 120.0 . .
C65 C64 C63 120.0 . .
C65 C64 C69 109.5(9) . .
C63 C64 C69 130.5(9) . .
C64 C65 C66 120.0 . .
C64 C65 H65 120.0 . .
C66 C65 H65 120.0 . .
C67 C66 C65 120.0 . .
C67 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C68 C67 C66 120.0 . .
C68 C67 C73 122.8(5) . .
C66 C67 C73 117.2(5) . .
C67 C68 C63 120.0 . .
C67 C68 H68 120.0 . .
C63 C68 H68 120.0 . .
O11 C69 N2 135(3) . .
O11 C69 C64 120.3(19) . .
N2 C69 C64 104.4(16) . .
C72 C71 C76 120.0 . .
C72 C71 H71 120.0 . .
C76 C71 H71 120.0 . .
C73 C72 C71 120.0 . .
C73 C72 H72 120.0 . .
C71 C72 H72 120.0 . .
C72 C73 C74 120.0 . .
C72 C73 C67 117.6(5) . .
C74 C73 C67 122.3(5) . .
C73 C74 C75 120.0 . .
C73 C74 H74 120.0 . .
C75 C74 H74 120.0 . .
C74 C75 C76 120.0 . .
C74 C75 H75 120.0 . .
C76 C75 H75 120.0 . .
C75 C76 C71 120.0 . .
C75 C76 C77 116.3(10) . .
C71 C76 C77 122.2(9) . .
N12 C77 C76 104.3(13) . .
N12 C77 O12 125.7(16) . .
C76 C77 O12 111.0(13) . .
C53 N1 C57 118.0(8) . .
C53 N1 Zn2 116.1(8) . .
C57 N1 Zn2 125.8(7) . .
C55 N2 C69 121.3(19) . .
C55 N2 H2 119.4 . .
C69 N2 H2 119.4 . .
N3 N3 C5 111(3) 2_455 .
N4 N4 C12 107.7(17) 5_455 .
C36 N5 C40 120.3(13) . .
C36 N5 Zn2 117.0(7) . .
C40 N5 Zn2 122.4(10) . .
C35 N6 C38 127.5(13) . .
C35 N6 H6A 116.2 . .
C38 N6 H6A 116.2 . .
C32 N7 C29 135.8(12) . .
C32 N7 H7A 112.1 . .
C29 N7 H7A 112.1 . .
C30 N8 C34 120.2(12) . .
C30 N8 Zn1 119.0(7) . .
C34 N8 Zn1 120.5(8) . .
C26 N9 C26 177.7(12) . 2_855
N10 N10 C19 118.2(19) 5_755 .
C77 N12 C60 125.0(9) . .
C77 N12 H12 117.5 . .
C60 N12 H12 117.5 . .
C59 C58 N11 120.0 . .
C59 C58 H58 120.0 . .
N11 C58 H58 120.0 . .
C60 C59 C58 120.0 . .
C60 C59 H59 120.0 . .
C58 C59 H59 120.0 . .
C59 C60 C61 120.0 . .
C59 C60 N12 118.1 . .
C61 C60 N12 121.8 . .
C62 C61 C60 120.0 . .
C62 C61 H61 120.0 . .
C60 C61 H61 120.0 . .
C61 C62 N11 120.0 . .
C61 C62 H62 120.0 . .
N11 C62 H62 120.0 . .
C62 N11 C58 120.0 . .
C62 N11 Zn1 118.1(2) . 1_465
C58 N11 Zn1 121.9(2) . 1_465
C8 O4 Zn2 114.5(9) . .
C1 O6 Zn2 112.1(13) . .
C22 O8 Zn1 102.3(11) . .
C15 O9 Zn1 114.6(7) . .
O9 Zn1 O8 136.1(5) . .
O9 Zn1 N11 101.4(3) . 1_645
O8 Zn1 N11 108.6(3) . 1_645
O9 Zn1 N8 102.6(4) . .
O8 Zn1 N8 100.7(6) . .
N11 Zn1 N8 103.5(4) 1_645 .
O9 Zn1 C22 115.9(6) . .
O8 Zn1 C22 29.0(5) . .
N11 Zn1 C22 99.6(5) 1_645 .
N8 Zn1 C22 129.6(6) . .
O4 Zn2 O6 124.9(7) . .
O4 Zn2 N1 100.9(5) . .
O6 Zn2 N1 106.9(5) . .
O4 Zn2 N5 112.0(6) . .
O6 Zn2 N5 106.7(6) . .
N1 Zn2 N5 103.1(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O5 1.05(2) .
C1 O6 1.18(3) .
C1 C2 1.67(3) .
C2 C7 1.324(18) .
C2 C3 1.42(3) .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 N3 1.48(2) .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O3 1.261(19) .
C8 O4 1.35(2) .
C8 C9 1.50(3) .
C9 C14 1.39(2) .
C9 C10 1.41(2) .
C10 C11 1.3900 .
C10 H10 0.9300 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 N4 1.47(2) .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O10 1.200(9) .
C15 O9 1.298(16) .
C15 C16 1.51(2) .
C16 C21 1.361(19) .
C16 C17 1.402(19) .
C17 C18 1.3900 .
C17 H17 0.9300 .
C18 C19 1.3900 .
C18 H18 0.9300 .
C19 C20 1.3900 .
C19 N10 1.469(16) .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O7 1.14(2) .
C22 O8 1.28(3) .
C22 C23 1.56(3) .
C22 Zn1 2.58(3) .
C23 C24 1.341(18) .
C23 C28 1.35(3) .
C24 C25 1.3900 .
C24 H24 0.9300 .
C25 C26 1.3900 .
C25 H25 0.9300 .
C26 C27 1.3900 .
C26 N9 1.759(12) .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C50 1.40(2) .
C29 O1 1.44(2) .
C29 N7 1.502(19) .
C30 N8 1.368(15) .
C30 C31 1.3900 .
C30 H30 0.9300 .
C31 C32 1.3900 .
C31 H31 0.9300 .
C32 N7 1.257(17) .
C32 C33 1.3900 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 N8 1.410(12) .
C34 H34 0.9300 .
C35 O2 1.189(18) .
C35 C41 1.39(2) .
C35 N6 1.42(2) .
C36 N5 1.377(16) .
C36 C37 1.3900 .
C36 H36 0.9300 .
C37 C38 1.3900 .
C37 H37 0.9300 .
C38 C39 1.3900 .
C38 N6 1.442(19) .
C39 C40 1.3900 .
C39 H39 0.9300 .
C40 N5 1.399(12) .
C40 H40 0.9300 .
C41 C42 1.3900 .
C41 C46 1.3900 .
C42 C43 1.3900 .
C42 H42 0.9300 .
C43 C44 1.3900 .
C43 H43 0.9300 .
C44 C45 1.3900 .
C44 C47 1.5776 .
C45 C46 1.3900 .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C52 1.3900 .
C47 C48 1.3900 .
C48 C49 1.3900 .
C48 H48 0.9300 .
C49 C50 1.3900 .
C49 H49 0.9300 .
C50 C51 1.3900 .
C51 C52 1.3900 .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.3900 .
C53 N1 1.410(13) .
C53 H53 0.9300 .
C54 C55 1.3900 .
C54 H54 0.9300 .
C55 N2 1.386(14) .
C55 C56 1.3900 .
C56 C57 1.3900 .
C56 H56 0.9300 .
C57 N1 1.398(14) .
C57 H57 0.9300 .
C63 C64 1.3900 .
C63 C68 1.3900 .
C63 H63 0.9300 .
C64 C65 1.3900 .
C64 C69 1.55(3) .
C65 C66 1.3900 .
C65 H65 0.9300 .
C66 C67 1.3900 .
C66 H66 0.9300 .
C67 C68 1.3900 .
C67 C73 1.533(9) .
C68 H68 0.9300 .
C69 O11 1.245(10) .
C69 N2 1.450(10) .
C71 C72 1.3900 .
C71 C76 1.3900 .
C71 H71 0.9300 .
C72 C73 1.3900 .
C72 H72 0.9300 .
C73 C74 1.3900 .
C74 C75 1.3900 .
C74 H74 0.9300 .
C75 C76 1.3900 .
C75 H75 0.9300 .
C76 C77 1.48(2) .
C77 N12 1.449(10) .
C77 O12 1.54(2) .
N1 Zn2 1.997(12) .
N2 H2 0.8600 .
N3 N3 1.10(3) 2_455
N4 N4 1.39(4) 5_455
N5 Zn2 1.997(17) .
N6 H6A 0.8600 .
N7 H7A 0.8600 .
N8 Zn1 2.033(14) .
N9 C26 1.759(12) 2_855
N10 N10 1.04(3) 5_755
N12 C60 1.4809 .
N12 H12 0.8600 .
C58 C59 1.3900 .
C58 N11 1.3900 .
C58 H58 0.9300 .
C59 C60 1.3900 .
C59 H59 0.9300 .
C60 C61 1.3900 .
C61 C62 1.3900 .
C61 H61 0.9300 .
C62 N11 1.3900 .
C62 H62 0.9300 .
N11 Zn1 2.016(6) 1_465
O4 Zn2 1.901(11) .
O6 Zn2 1.946(12) .
O8 Zn1 1.986(12) .
O9 Zn1 1.947(8) .
Zn1 N11 2.016(6) 1_645
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
O5 C1 C2 C7 -165(2) .
O6 C1 C2 C7 2(2) .
O5 C1 C2 C3 23(3) .
O6 C1 C2 C3 -170.6(15) .
C7 C2 C3 C4 2.4(18) .
C1 C2 C3 C4 175.2(8) .
C2 C3 C4 C5 -1.1(8) .
C3 C4 C5 C6 0.0 .
C3 C4 C5 N3 178.2(8) .
C4 C5 C6 C7 0.0 .
N3 C5 C6 C7 -178.0(9) .
C3 C2 C7 C6 -2.5(19) .
C1 C2 C7 C6 -174.1(12) .
C5 C6 C7 C2 1.2(9) .
O3 C8 C9 C14 -12(3) .
O4 C8 C9 C14 167.6(18) .
O3 C8 C9 C10 156(2) .
O4 C8 C9 C10 -25(3) .
C14 C9 C10 C11 -3(2) .
C8 C9 C10 C11 -170.5(15) .
C9 C10 C11 C12 1.3(12) .
C10 C11 C12 C13 0.0 .
C10 C11 C12 N4 -167.5(12) .
C11 C12 C13 C14 0.0 .
N4 C12 C13 C14 167.9(12) .
C12 C13 C14 C9 -1.4(12) .
C10 C9 C14 C13 3(2) .
C8 C9 C14 C13 170.5(15) .
O10 C15 C16 C21 -170(2) .
O9 C15 C16 C21 2(3) .
O10 C15 C16 C17 8(4) .
O9 C15 C16 C17 180.0(16) .
C21 C16 C17 C18 3(2) .
C15 C16 C17 C18 -175.7(13) .
C16 C17 C18 C19 -1.3(11) .
C17 C18 C19 C20 0.0 .
C17 C18 C19 N10 175.9(11) .
C18 C19 C20 C21 0.0 .
N10 C19 C20 C21 -176.1(10) .
C17 C16 C21 C20 -3(2) .
C15 C16 C21 C20 175.5(17) .
C19 C20 C21 C16 1.3(11) .
O7 C22 C23 C24 -166.4(17) .
O8 C22 C23 C24 4(2) .
Zn1 C22 C23 C24 5(4) .
O7 C22 C23 C28 15(2) .
O8 C22 C23 C28 -174.1(13) .
Zn1 C22 C23 C28 -173(2) .
C28 C23 C24 C25 -1.8(18) .
C22 C23 C24 C25 -179.9(9) .
C23 C24 C25 C26 0.8(8) .
C24 C25 C26 C27 0.0 .
C24 C25 C26 N9 178.4(7) .
C25 C26 C27 C28 0.0 .
N9 C26 C27 C28 -178.4(7) .
C24 C23 C28 C27 1.8(18) .
C22 C23 C28 C27 179.9(9) .
C26 C27 C28 C23 -0.8(8) .
N8 C30 C31 C32 -0.6(6) .
C30 C31 C32 N7 179.5(6) .
C30 C31 C32 C33 0.0 .
N7 C32 C33 C34 -179.5(7) .
C31 C32 C33 C34 0.0 .
C32 C33 C34 N8 0.6(6) .
N5 C36 C37 C38 -0.5(7) .
C36 C37 C38 C39 0.0 .
C36 C37 C38 N6 178.7(6) .
C37 C38 C39 C40 0.0 .
N6 C38 C39 C40 -178.6(7) .
C38 C39 C40 N5 0.5(7) .
O2 C35 C41 C42 174.3(11) .
N6 C35 C41 C42 -5.8(16) .
O2 C35 C41 C46 -13.2(17) .
N6 C35 C41 C46 166.8(9) .
C35 C41 C42 C43 172.2(8) .
C46 C41 C42 C43 0.0 .
C41 C42 C43 C44 0.0 .
C42 C43 C44 C45 0.0 .
C42 C43 C44 C47 -175.2 .
C43 C44 C45 C46 0.0 .
C47 C44 C45 C46 174.9 .
C44 C45 C46 C41 0.0 .
C35 C41 C46 C45 -173.0(7) .
C42 C41 C46 C45 0.0 .
C45 C44 C47 C52 39.0 .
C43 C44 C47 C52 -145.9 .
C45 C44 C47 C48 -147.3 .
C43 C44 C47 C48 27.7 .
C52 C47 C48 C49 0.0 .
C44 C47 C48 C49 -173.7 .
C47 C48 C49 C50 0.0 .
O1 C29 C50 C49 165.1(13) .
N7 C29 C50 C49 -26.5(16) .
O1 C29 C50 C51 -13(2) .
N7 C29 C50 C51 155.9(9) .
C48 C49 C50 C29 -177.5(8) .
C48 C49 C50 C51 0.0 .
C29 C50 C51 C52 177.7(7) .
C49 C50 C51 C52 0.0 .
C50 C51 C52 C47 0.0 .
C48 C47 C52 C51 0.0 .
C44 C47 C52 C51 173.5 .
N1 C53 C54 C55 -1.8(8) .
C53 C54 C55 N2 -178.0(8) .
C53 C54 C55 C56 0.0 .
N2 C55 C56 C57 177.8(9) .
C54 C55 C56 C57 0.0 .
C55 C56 C57 N1 1.8(8) .
C68 C63 C64 C65 0.0 .
C68 C63 C64 C69 -178.8(17) .
C63 C64 C65 C66 0.0 .
C69 C64 C65 C66 179.0(13) .
C64 C65 C66 C67 0.0 .
C65 C66 C67 C68 0.0 .
C65 C66 C67 C73 178.7(3) .
C66 C67 C68 C63 0.0 .
C73 C67 C68 C63 -178.6(3) .
C64 C63 C68 C67 0.0 .
C65 C64 C69 O11 -34(4) .
C63 C64 C69 O11 144(2) .
C65 C64 C69 N2 146.3(17) .
C63 C64 C69 N2 -35(3) .
C76 C71 C72 C73 0.0 .
C71 C72 C73 C74 0.0 .
C71 C72 C73 C67 176.1(4) .
C68 C67 C73 C72 24.5(3) .
C66 C67 C73 C72 -154.12(12) .
C68 C67 C73 C74 -159.45(12) .
C66 C67 C73 C74 21.9(3) .
C72 C73 C74 C75 0.0 .
C67 C73 C74 C75 -175.9(4) .
C73 C74 C75 C76 0.0 .
C74 C75 C76 C71 0.0 .
C74 C75 C76 C77 -166.6(8) .
C72 C71 C76 C75 0.0 .
C72 C71 C76 C77 165.8(9) .
C75 C76 C77 N12 -54.1(14) .
C71 C76 C77 N12 139.6(8) .
C75 C76 C77 O12 168.0(9) .
C71 C76 C77 O12 1.7(16) .
C54 C53 N1 C57 3.4(15) .
C54 C53 N1 Zn2 -174.0(4) .
C56 C57 N1 C53 -3.5(15) .
C56 C57 N1 Zn2 173.7(6) .
C54 C55 N2 C69 159(2) .
C56 C55 N2 C69 -19(3) .
O11 C69 N2 C55 -7(6) .
C64 C69 N2 C55 172.2(13) .
C6 C5 N3 N3 14.5(8) 2_455
C4 C5 N3 N3 -163.64(15) 2_455
C11 C12 N4 N4 -38(3) 5_455
C13 C12 N4 N4 154.3(19) 5_455
C37 C36 N5 C40 0.9(13) .
C37 C36 N5 Zn2 175.0(4) .
C39 C40 N5 C36 -0.9(13) .
C39 C40 N5 Zn2 -174.7(5) .
O2 C35 N6 C38 14(2) .
C41 C35 N6 C38 -166.3(11) .
C39 C38 N6 C35 -20.1(17) .
C37 C38 N6 C35 161.3(12) .
C33 C32 N7 C29 1.8(18) .
C31 C32 N7 C29 -177.8(13) .
C50 C29 N7 C32 -161.3(12) .
O1 C29 N7 C32 10(2) .
C31 C30 N8 C34 1.3(12) .
C31 C30 N8 Zn1 174.3(3) .
C33 C34 N8 C30 -1.2(12) .
C33 C34 N8 Zn1 -174.2(4) .
C25 C26 N9 C26 107.9(4) 2_855
C27 C26 N9 C26 -73.7(3) 2_855
C20 C19 N10 N10 7(3) 5_755
C18 C19 N10 N10 -169(2) 5_755
C76 C77 N12 C60 -167.0(7) .
O12 C77 N12 C60 -37(2) .
N11 C58 C59 C60 0.0 .
C58 C59 C60 C61 0.0 .
C58 C59 C60 N12 177.4 .
C77 N12 C60 C59 161.2(11) .
C77 N12 C60 C61 -21.4(11) .
C59 C60 C61 C62 0.0 .
N12 C60 C61 C62 -177.3 .
C60 C61 C62 N11 0.0 .
C61 C62 N11 C58 0.0 .
C61 C62 N11 Zn1 -179.3(2) 1_465
C59 C58 N11 C62 0.0 .
C59 C58 N11 Zn1 179.3(2) 1_465
O3 C8 O4 Zn2 -15(3) .
C9 C8 O4 Zn2 166.1(14) .
O5 C1 O6 Zn2 -10(3) .
C2 C1 O6 Zn2 -176.7(8) .
O7 C22 O8 Zn1 -10(2) .
C23 C22 O8 Zn1 179.3(9) .
O10 C15 O9 Zn1 11(3) .
C16 C15 O9 Zn1 -161.5(13) .
C15 O9 Zn1 O8 -46.4(17) .
C15 O9 Zn1 N11 -179.1(15) 1_645
C15 O9 Zn1 N8 74.1(15) .
C15 O9 Zn1 C22 -72.4(16) .
C22 O8 Zn1 O9 -54.7(12) .
C22 O8 Zn1 N11 75.8(11) 1_645
C22 O8 Zn1 N8 -175.9(10) .
C30 N8 Zn1 O9 23.0(9) .
C34 N8 Zn1 O9 -164.0(8) .
C30 N8 Zn1 O8 165.5(8) .
C34 N8 Zn1 O8 -21.5(9) .
C30 N8 Zn1 N11 -82.2(8) 1_645
C34 N8 Zn1 N11 90.8(8) 1_645
C30 N8 Zn1 C22 162.9(8) .
C34 N8 Zn1 C22 -24.1(11) .
O7 C22 Zn1 O9 -47.2(11) .
O8 C22 Zn1 O9 141.0(9) .
C23 C22 Zn1 O9 139(3) .
O7 C22 Zn1 O8 171.8(18) .
C23 C22 Zn1 O8 -2(2) .
O7 C22 Zn1 N11 60.5(10) 1_645
O8 C22 Zn1 N11 -111.3(10) 1_645
C23 C22 Zn1 N11 -113(3) 1_645
O7 C22 Zn1 N8 177.0(8) .
O8 C22 Zn1 N8 5.3(13) .
C23 C22 Zn1 N8 4(3) .
C8 O4 Zn2 O6 -51.3(16) .
C8 O4 Zn2 N1 -171.0(14) .
C8 O4 Zn2 N5 80.0(15) .
C1 O6 Zn2 O4 -42.0(16) .
C1 O6 Zn2 N1 74.9(15) .
C1 O6 Zn2 N5 -175.3(14) .
C53 N1 Zn2 O4 129.9(10) .
C57 N1 Zn2 O4 -47.3(13) .
C53 N1 Zn2 O6 -2.0(12) .
C57 N1 Zn2 O6 -179.2(11) .
C53 N1 Zn2 N5 -114.2(10) .
C57 N1 Zn2 N5 68.6(12) .
C36 N5 Zn2 O4 33.1(11) .
C40 N5 Zn2 O4 -153.0(9) .
C36 N5 Zn2 O6 173.0(8) .
C40 N5 Zn2 O6 -13.0(11) .
C36 N5 Zn2 N1 -74.6(9) .
C40 N5 Zn2 N1 99.3(10) .
