#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:15:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179036 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/34/4123448.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_4123448
loop_
_publ_author_name
'Zhang, Yue-Biao'
'Furukawa, Hiroyasu'
'Ko, Nakeun'
'Nie, Weixuan'
'Park, Hye Jeong'
'Okajima, Satoshi'
'Cordova, Kyle E.'
'Deng, Hexiang'
'Kim, Jaheon'
'Yaghi, Omar M.'
_publ_section_title
;
 Introduction of functionality, selection of topology, and enhancement of
 gas adsorption in multivariate metal-organic framework-177.
;
_journal_issue                   7
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2641
_journal_page_last               2650
_journal_paper_doi               10.1021/ja512311a
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C121 H64.08 N4 O26 Zn8'
_chemical_formula_sum            'C121 H64.15 N4 O26 Zn8'
_chemical_formula_weight         2513.03
_chemical_name_common            MOF-177-K
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           163
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            4
_cell_length_a                   37.090(4)
_cell_length_b                   37.090(4)
_cell_length_c                   29.987(4)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      37.37
_cell_measurement_theta_min      2.75
_cell_volume                     35725(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22300
_diffrn_reflns_theta_full        30.92
_diffrn_reflns_theta_max         30.92
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_T_max  0.8593
_exptl_absorpt_correction_T_min  0.8285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5064
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.392
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.606
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         3710
_refine_ls_number_restraints     792
_refine_ls_restrained_S_all      1.477
_refine_ls_R_factor_all          0.1319
_refine_ls_R_factor_gt           0.1157
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3316
_refine_ls_wR_factor_ref         0.3489
_reflns_number_gt                2864
_reflns_number_total             3710
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512311a_si_010.cif
_cod_data_source_block           MOF-177-K
_cod_depositor_comments
'Adding full bibliography for 4123443--4123455.cif.'
_cod_database_code               4123448
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'x, x-y, -z+1/2'
'-x+y, y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'-x, -x+y, z-1/2'
'x-y, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn3 Zn 0.3333 0.6667 -0.1905(2) 0.0842(18) Uani 0.50 3 d SP . .
Zn2A Zn 0.14069(11) 0.77524(12) 0.23880(12) 0.0899(16) Uani 0.4895(13) 1 d PD .
2
Zn2 Zn 0.11237(11) 0.81208(11) 0.22213(11) 0.0899(16) Uani 0.5105(13) 1 d PD .
1
Zn4 Zn 0.27997(11) 0.62354(12) -0.22231(12) 0.0842(18) Uani 0.50 1 d P . .
Zn1 Zn 0.20712(11) 0.83742(11) 0.20626(12) 0.0899(16) Uani 0.5105(13) 1 d PD .
1
Zn1A Zn 0.15593(12) 0.86100(12) 0.19850(12) 0.0899(16) Uani 0.4895(13) 1 d PD .
2
O1 O 0.16605(14) 0.83395(14) 0.2500 0.061(4) Uani 1 2 d SU . .
O2 O 0.3333 0.6667 -0.2500 0.086(7) Uani 1 6 d SU . .
O10A O 0.1814(7) 0.7574(7) 0.2505(8) 0.099(6) Uani 0.4895(13) 1 d PU . 2
O5A O -0.0953(7) 0.6932(7) -0.1830(7) 0.134(5) Uani 0.4895(13) 1 d P . 2
O4A O 0.1306(6) 0.7611(6) 0.1773(5) 0.124(4) Uani 0.4895(13) 1 d PDU . 2
O9 O 0.0951(8) 0.8522(7) 0.2262(8) 0.153(7) Uani 0.5105(13) 1 d PU . 1
C29 C 0.0893(2) 0.9107(2) 0.2500 0.160(7) Uani 1 2 d SDU . .
O3 O 0.1771(5) 0.8105(6) 0.1530(5) 0.124(4) Uani 0.5105(13) 1 d PDU . 1
O6 O -0.0701(6) 0.6953(7) -0.2419(7) 0.134(5) Uani 0.5105(13) 1 d P . 1
O9A O 0.1278(8) 0.8865(9) 0.2149(9) 0.153(7) Uani 0.4895(13) 1 d PU . 2
C2 C 0.1272(4) 0.7698(4) 0.0987(3) 0.137(5) Uani 1 1 d GDU . .
C7 C 0.1382(5) 0.7403(4) 0.0867(4) 0.153(5) Uani 0.581(9) 1 d PGDU A 1
H7 H 0.1490 0.7300 0.1080 0.183 Uiso 0.581(9) 1 calc PR A 1
C6 C 0.1330(5) 0.7263(5) 0.0429(5) 0.153(5) Uani 0.581(9) 1 d PGDU A 1
H6 H 0.1403 0.7065 0.0349 0.183 Uiso 0.581(9) 1 calc PR A 1
C5 C 0.1169(5) 0.7416(5) 0.0112(3) 0.149(6) Uani 1 1 d GDU A .
C4 C 0.1059(5) 0.7711(5) 0.0232(4) 0.153(5) Uani 0.581(9) 1 d PGDU A 1
C3 C 0.1111(5) 0.7852(5) 0.0670(4) 0.153(5) Uani 0.581(9) 1 d PGDU A 1
C8 C 0.1116(4) 0.7263(4) -0.0369(3) 0.156(7) Uani 1 1 d GDU . .
C9 C 0.0766(3) 0.7191(4) -0.0610(4) 0.171(7) Uani 1 1 d GU A .
H9 H 0.0570 0.7246 -0.0482 0.205 Uiso 1 1 calc R . .
C10 C 0.0708(3) 0.7037(4) -0.1042(4) 0.162(7) Uani 1 1 d GDU A .
C11 C 0.1001(4) 0.6955(4) -0.1234(3) 0.151(7) Uani 1 1 d GU A .
H11 H 0.0963 0.6851 -0.1523 0.181 Uiso 1 1 calc R . .
C12 C 0.1351(3) 0.7026(4) -0.0993(4) 0.142(7) Uani 1 1 d GDU A .
C13 C 0.1409(3) 0.7181(4) -0.0561(4) 0.155(7) Uani 1 1 d GU A .
H13 H 0.1643 0.7229 -0.0400 0.186 Uiso 1 1 calc R . .
C1 C 0.1385(5) 0.7876(5) 0.1464(6) 0.138(7) Uani 1 1 d DU . .
O3A O 0.1394(7) 0.8220(5) 0.1502(6) 0.124(4) Uani 0.4895(13) 1 d PDU . 2
O4 O 0.1099(6) 0.7907(7) 0.1632(5) 0.124(4) Uani 0.5105(13) 1 d PDU . 1
C35 C 0.2221(4) 0.7779(4) 0.2500 0.111(8) Uani 1 2 d SDU . .
C36 C 0.2445(2) 0.7555(2) 0.2500 0.098(7) Uani 1 2 d SDU . .
C41 C 0.35452(19) 0.7090(4) 0.2500 0.124(7) Uani 1 2 d SDU . .
H41 H 0.3690 0.7380 0.2500 0.149 Uiso 1 2 calc SR . .
C40 C 0.31215(19) 0.68785(19) 0.2500 0.124(7) Uani 1 2 d SDU . .
C37 C 0.2276(4) 0.7166(3) 0.2712(6) 0.125(7) Uani 0.774(16) 1 d PDU . 1
C21 C 0.0323(4) 0.6960(5) -0.1284(5) 0.156(4) Uani 1 1 d GDU . .
C22 C 0.0142(5) 0.7205(5) -0.1210(5) 0.151(5) Uani 0.483(9) 1 d PGDU . 1
H22 H 0.0260 0.7422 -0.1005 0.181 Uiso 0.483(9) 1 calc PR . 1
C23 C -0.0214(5) 0.7125(5) -0.1443(6) 0.151(5) Uani 0.483(9) 1 d PGDU . 1
H23 H -0.0335 0.7289 -0.1393 0.181 Uiso 0.483(9) 1 calc PR . 1
C24 C -0.0390(3) 0.6801(5) -0.1749(5) 0.156(4) Uani 1 1 d GDU . .
C25 C -0.0209(5) 0.6556(5) -0.1823(5) 0.151(5) Uani 0.483(9) 1 d PGDU . 1
C26 C 0.0147(5) 0.6636(5) -0.1590(6) 0.151(5) Uani 0.483(9) 1 d PGDU . 1
H26 H 0.0269 0.6472 -0.1640 0.181 Uiso 0.483(9) 1 calc PR . 1
C39 C 0.2883(2) 0.7117(2) 0.2500 0.122(8) Uani 1 2 d SDU . .
C38 C 0.2495(3) 0.6948(4) 0.2713(6) 0.125(7) Uani 0.774(16) 1 d PDU . 1
H38 H 0.2382 0.6691 0.2854 0.150 Uiso 0.774(16) 1 calc PR . 1
C34 C -0.02243(19) 0.9551(4) 0.2500 0.147(9) Uani 1 2 d SDU . .
H34 H -0.0369 0.9262 0.2500 0.176 Uiso 1 2 calc SR . .
C32 C 0.0454(2) 0.9546(2) 0.2500 0.160(7) Uani 1 2 d SDU . .
C33 C 0.02241(19) 0.97759(19) 0.2500 0.138(9) Uani 0.50 1 d PDU B .
C30 C 0.0544(5) 0.8979(5) 0.2221(6) 0.152(7) Uani 0.666(12) 1 d PDU B 1
C31 C 0.0322(5) 0.9195(5) 0.2226(6) 0.152(7) Uani 0.666(12) 1 d PDU B 1
H31 H 0.0087 0.9105 0.2048 0.183 Uiso 0.666(12) 1 calc PR B 1
O10 O 0.2357(7) 0.8085(8) 0.2232(6) 0.099(6) Uani 0.5105(13) 1 d PU . 1
C28 C 0.1118(5) 0.8882(5) 0.2500 0.165(11) Uani 1 2 d SDU . .
O6A O -0.0927(9) 0.6482(10) -0.2255(8) 0.134(5) Uani 0.4895(13) 1 d P . 2
C27 C -0.0762(6) 0.6741(7) -0.1989(8) 0.156(4) Uani 1 1 d D . .
O5 O -0.1085(8) 0.6439(9) -0.1934(8) 0.134(5) Uani 0.5105(13) 1 d P . 1
C16 C 0.1858(5) 0.6578(4) -0.1741(5) 0.173(6) Uani 0.701(11) 1 d PGU A 1
H16 H 0.1782 0.6368 -0.1952 0.207 Uiso 0.701(11) 1 calc PR A 1
C15 C 0.1557(3) 0.6646(5) -0.1548(5) 0.173(6) Uani 0.701(11) 1 d PGU A 1
H15 H 0.1279 0.6481 -0.1629 0.207 Uiso 0.701(11) 1 calc PR A 1
C14 C 0.1670(4) 0.6959(5) -0.1233(4) 0.151(6) Uani 1 1 d GDU . .
C19 C 0.2086(5) 0.7206(4) -0.1112(5) 0.173(6) Uani 0.701(11) 1 d PGU A 1
H19 H 0.2162 0.7416 -0.0902 0.207 Uiso 0.701(11) 1 calc PR A 1
C18 C 0.2387(3) 0.7138(5) -0.1305(5) 0.173(6) Uani 0.701(11) 1 d PGU A 1
H18 H 0.2665 0.7302 -0.1224 0.207 Uiso 0.701(11) 1 calc PR A 1
C17 C 0.2274(4) 0.6824(5) -0.1620(4) 0.151(6) Uani 1 1 d GDU . .
C25A C -0.0412(5) 0.6712(7) -0.1300(6) 0.151(5) Uani 0.517(9) 1 d PD . 2
H25A H -0.0666 0.6599 -0.1152 0.181 Uiso 0.517(9) 1 calc PR . 2
C23A C -0.0004(6) 0.6988(7) -0.1969(5) 0.151(5) Uani 0.517(9) 1 d PD . 2
C22A C 0.0351(5) 0.7061(6) -0.1736(6) 0.151(5) Uani 0.517(9) 1 d PD . 2
H22A H 0.0606 0.7176 -0.1882 0.181 Uiso 0.517(9) 1 calc PR . 2
C7A C 0.1617(5) 0.7846(8) 0.0706(6) 0.153(5) Uani 0.419(9) 1 d PD A 2
H7A H 0.1883 0.8026 0.0815 0.183 Uiso 0.419(9) 1 calc PR A 2
C6A C 0.1561(6) 0.7722(9) 0.0258(6) 0.153(5) Uani 0.419(9) 1 d PD A 2
H6A H 0.1784 0.7842 0.0061 0.183 Uiso 0.419(9) 1 calc PR A 2
C18A C 0.2192(6) 0.6755(7) -0.1163(6) 0.173(6) Uani 0.299(11) 1 d PD A 2
C3A C 0.0880(6) 0.7412(9) 0.0830(6) 0.153(5) Uani 0.419(9) 1 d PD A 2
H3A H 0.0655 0.7289 0.1025 0.183 Uiso 0.419(9) 1 calc PR A 2
C4A C 0.0824(5) 0.7308(9) 0.0380(7) 0.153(5) Uani 0.419(9) 1 d PD A 2
H4A H 0.0557 0.7168 0.0259 0.183 Uiso 0.419(9) 1 calc PR A 2
C20 C 0.2575(5) 0.6756(6) -0.1887(6) 0.134(6) Uani 1 1 d DU . .
C26A C -0.0054(6) 0.6792(6) -0.1069(5) 0.151(5) Uani 0.517(9) 1 d PD . 2
H26A H -0.0071 0.6731 -0.0766 0.181 Uiso 0.517(9) 1 calc PR . 2
C19A C 0.1892(8) 0.6829(10) -0.0967(6) 0.173(6) Uani 0.299(11) 1 d PD A 2
H19A H 0.1841 0.6792 -0.0662 0.207 Uiso 0.299(11) 1 calc PR A 2
O7 O 0.2864(6) 0.6731(7) -0.1643(6) 0.119(5) Uani 0.50 1 d PD . 1
O7A O 0.2956(6) 0.7104(6) -0.1916(6) 0.119(5) Uani 0.50 1 d PD . 2
C16A C 0.2056(8) 0.6962(10) -0.1886(6) 0.173(6) Uani 0.299(11) 1 d PD A 2
C15A C 0.1751(8) 0.7028(10) -0.1690(6) 0.173(6) Uani 0.299(11) 1 d PD A 2
O8A O 0.2440(6) 0.6362(6) -0.1945(6) 0.119(5) Uani 0.50 1 d PD . 2
O8 O 0.2531(6) 0.6589(7) -0.2286(6) 0.119(5) Uani 0.50 1 d PD . 1
C30A C 0.0546(6) 0.8982(6) 0.2782(7) 0.152(7) Uani 0.334(12) 1 d PD B 2
C31A C 0.0328(7) 0.9200(7) 0.2783(8) 0.152(7) Uani 0.334(12) 1 d PD B 2
C37A C 0.2269(7) 0.7159(7) 0.2305(13) 0.125(7) Uani 0.226(16) 1 d PD . 2
C38A C 0.2487(7) 0.6941(7) 0.2302(13) 0.125(7) Uani 0.226(16) 1 d PD . 2
C103 C 0.0859(17) 0.7855(16) -0.0106(9) 0.70(8) Uiso 0.50 1 d PD A 1
H103 H 0.0819 0.7759 -0.0398 0.845 Uiso 0.50 1 calc PR A 1
C102 C 0.0731(12) 0.8143(12) 0.0033(15) 0.57(3) Uiso 0.50 1 d PD A 1
H102 H 0.0605 0.8234 -0.0170 0.687 Uiso 0.50 1 calc PR A 1
C101 C 0.0798(12) 0.8294(11) 0.0486(15) 0.57(3) Uiso 0.50 1 d PD A 1
H101 H 0.0721 0.8487 0.0571 0.687 Uiso 0.50 1 calc PR A 1
C100 C 0.0984(10) 0.8147(8) 0.0806(11) 0.57(3) Uiso 0.50 1 d PD A 1
H100 H 0.1022 0.8241 0.1099 0.687 Uiso 0.50 1 calc PR A 1
C107 C 0.1897(18) 0.6355(17) 0.188(3) 0.57(3) Uiso 0.17 1 d PD . 2
H107 H 0.1776 0.6092 0.1748 0.687 Uiso 0.17 1 calc PR . 2
C106 C 0.1668(16) 0.6578(18) 0.189(3) 0.57(3) Uiso 0.17 1 d PD . 2
H106 H 0.1405 0.6462 0.1762 0.687 Uiso 0.17 1 calc PR . 2
C105 C 0.1850(12) 0.6985(15) 0.211(2) 0.57(3) Uiso 0.17 1 d PD . 2
H105 H 0.1707 0.7131 0.2119 0.687 Uiso 0.17 1 calc PR . 2
C108 C 0.2316(17) 0.6539(15) 0.206(3) 0.57(3) Uiso 0.17 1 d PD . 2
H108 H 0.2472 0.6407 0.2032 0.687 Uiso 0.17 1 calc PR . 2
N1 N 0.1869(10) 0.6994(12) 0.2947(19) 0.46(3) Uiso 0.17 1 d PD . 1
H1A H 0.1740 0.7133 0.2952 0.552 Uiso 0.17 1 calc PR . 1
H1B H 0.1764 0.6756 0.3078 0.552 Uiso 0.17 1 calc PR . 1
N2 N 0.0403(12) 0.8611(10) 0.1925(14) 0.46(3) Uiso 0.17 1 d PD B 1
H2A H 0.0187 0.8533 0.1759 0.552 Uiso 0.17 1 calc PR B 1
H2B H 0.0536 0.8478 0.1920 0.552 Uiso 0.17 1 calc PR B 1
C109 C -0.0039(15) 0.9069(17) 0.307(2) 0.57(3) Uiso 0.17 1 d PD B 2
H109 H -0.0182 0.9215 0.3076 0.687 Uiso 0.17 1 calc PR B 2
C112 C 0.0427(19) 0.8622(16) 0.308(2) 0.57(3) Uiso 0.17 1 d PD B 2
H112 H 0.0584 0.8491 0.3091 0.687 Uiso 0.17 1 calc PR B 2
C110 C -0.0170(19) 0.871(2) 0.336(2) 0.57(3) Uiso 0.17 1 d PD B 2
H110 H -0.0399 0.8620 0.3547 0.687 Uiso 0.17 1 calc PR B 2
C111 C 0.006(2) 0.848(2) 0.336(3) 0.57(3) Uiso 0.17 1 d PD B 2
H111 H -0.0036 0.8241 0.3531 0.687 Uiso 0.17 1 calc PR B 2
N3 N 0.2427(13) 0.6613(14) -0.0877(11) 0.46(3) Uiso 0.25 1 d PD A 2
H3B H 0.2616 0.6573 -0.0993 0.552 Uiso 0.25 1 calc PR A 2
H3C H 0.2373 0.6572 -0.0597 0.552 Uiso 0.25 1 calc PR A 2
N5 N 0.0031(11) 0.7078(14) -0.2458(7) 0.46(3) Uiso 0.50 1 d PD . 2
H5A H 0.0268 0.7172 -0.2590 0.552 Uiso 0.50 1 calc PR . 2
H5B H -0.0184 0.7035 -0.2608 0.552 Uiso 0.50 1 calc PR . 2
N4 N -0.0394(14) 0.6207(13) -0.2157(15) 0.46(3) Uiso 0.25 1 d PD . 1
H4B H -0.0613 0.6158 -0.2304 0.552 Uiso 0.25 1 calc PR . 1
H4C H -0.0280 0.6057 -0.2201 0.552 Uiso 0.25 1 calc PR . 1
C114 C 0.192(2) 0.718(2) -0.2637(10) 0.57(3) Uiso 0.25 1 d PD A 2
H114 H 0.1969 0.7223 -0.2941 0.687 Uiso 0.25 1 calc PR A 2
C113 C 0.2148(15) 0.7033(16) -0.2368(9) 0.57(3) Uiso 0.25 1 d PD A 2
H113 H 0.2349 0.6987 -0.2497 0.687 Uiso 0.25 1 calc PR A 2
C115 C 0.1601(19) 0.7248(19) -0.2433(14) 0.57(3) Uiso 0.25 1 d PD A 2
H115 H 0.1454 0.7339 -0.2606 0.687 Uiso 0.25 1 calc PR A 2
C116 C 0.1514(13) 0.7176(15) -0.1956(15) 0.57(3) Uiso 0.25 1 d PD A 2
H116 H 0.1314 0.7221 -0.1823 0.687 Uiso 0.25 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0180 0.0090 '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 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0490 0.0320 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5490 0.6780 '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
O2 Zn3 O7 112.8(5) . 3_565
O2 Zn3 O7 112.8(5) . .
O7 Zn3 O7 106.0(6) 3_565 .
O2 Zn3 O7 112.8(5) . 2_665
O7 Zn3 O7 105.9(6) 3_565 2_665
O7 Zn3 O7 105.9(6) . 2_665
O2 Zn3 O7A 89.3(4) . 2_665
O7 Zn3 O7A 140.4(7) 3_565 2_665
O7 Zn3 O7A 93.8(8) . 2_665
O7 Zn3 O7A 34.6(7) 2_665 2_665
O2 Zn3 O7A 89.3(4) . 3_565
O7 Zn3 O7A 34.6(7) 3_565 3_565
O7 Zn3 O7A 140.4(7) . 3_565
O7 Zn3 O7A 93.8(8) 2_665 3_565
O7A Zn3 O7A 119.985(19) 2_665 3_565
O2 Zn3 O7A 89.3(4) . .
O7 Zn3 O7A 93.8(8) 3_565 .
O7 Zn3 O7A 34.6(7) . .
O7 Zn3 O7A 140.4(7) 2_665 .
Zn4 Zn3 O7A 45.3(4) 3_565 .
Zn4 Zn3 O7A 82.6(4) . .
Zn4 Zn3 O7A 144.7(5) 2_665 .
O7A Zn3 O7A 119.985(19) 2_665 .
O7A Zn3 O7A 119.986(18) 3_565 .
O4A Zn2A O6A 111.7(10) . 11_556
O4A Zn2A O1 113.5(6) . .
O6A Zn2A O1 114.9(9) 11_556 .
O4A Zn2A O10A 99.1(9) . .
O6A Zn2A O10A 107.0(12) 11_556 .
O1 Zn2A O10A 109.1(7) . .
O9 Zn2 O4 114.7(10) . .
O9 Zn2 O1 109.0(8) . .
O4 Zn2 O1 113.5(6) . .
O9 Zn2 O6 102.8(10) . 11_556
O4 Zn2 O6 106.8(9) . 11_556
O1 Zn2 O6 109.4(7) . 11_556
O8 Zn4 O8A 105.8(8) 5_564 .
O8 Zn4 O7A 101.6(10) 5_564 2_665
O8A Zn4 O7A 114.4(8) . 2_665
O8 Zn4 O2 99.8(7) 5_564 .
O8A Zn4 O2 122.9(6) . .
O7A Zn4 O2 108.9(6) 2_665 .
O8 Zn4 O8 90.7(11) 5_564 .
O8A Zn4 O8 37.9(7) . .
O7A Zn4 O8 152.3(8) 2_665 .
O2 Zn4 O8 93.1(6) . .
O8 Zn4 O7 147.9(9) 5_564 .
O8A Zn4 O7 45.0(8) . .
O7A Zn4 O7 103.7(9) 2_665 .
O2 Zn4 O7 90.5(5) . .
O8 Zn4 O7 58.2(6) . .
O8 Zn4 O7 131.4(8) 5_564 2_665
O8A Zn4 O7 111.1(8) . 2_665
O7A Zn4 O7 34.0(8) 2_665 2_665
O2 Zn4 O7 85.8(4) . 2_665
O8 Zn4 O7 137.5(7) . 2_665
O7 Zn4 O7 79.3(9) . 2_665
O5 Zn1 O10 106.6(12) 9_665 .
O5 Zn1 O3 109.6(10) 9_665 .
O10 Zn1 O3 105.6(9) . .
O5 Zn1 O1 113.2(9) 9_665 .
O10 Zn1 O1 114.5(7) . .
O3 Zn1 O1 107.0(6) . .
O9A Zn1A O3A 123.7(11) . .
O9A Zn1A O5A 106.3(11) . 9_665
O3A Zn1A O5A 104.8(10) . 9_665
O9A Zn1A O1 111.2(9) . .
O3A Zn1A O1 106.1(6) . .
O5A Zn1A O1 102.7(6) 9_665 .
Zn2A O1 Zn2A 112.2(5) . 4_665
Zn2A O1 Zn2 164.27(16) . 4_665
Zn2A O1 Zn2 68.24(16) 4_665 4_665
Zn2A O1 Zn2 68.24(16) . .
Zn2A O1 Zn2 164.27(16) 4_665 .
Zn2 O1 Zn2 115.9(5) 4_665 .
Zn2A O1 Zn1 55.5(2) . 4_665
Zn2A O1 Zn1 83.2(3) 4_665 4_665
Zn2 O1 Zn1 110.02(15) 4_665 4_665
Zn2 O1 Zn1 108.06(15) . 4_665
Zn2A O1 Zn1 83.2(3) . .
Zn2A O1 Zn1 55.5(2) 4_665 .
Zn2 O1 Zn1 108.06(16) 4_665 .
Zn2 O1 Zn1 110.02(15) . .
Zn1 O1 Zn1 104.2(5) 4_665 .
Zn2A O1 Zn1A 109.20(16) . .
Zn2A O1 Zn1A 110.14(16) 4_665 .
Zn2 O1 Zn1A 84.4(3) 4_665 .
Zn2 O1 Zn1A 57.0(2) . .
Zn1 O1 Zn1A 163.59(15) 4_665 .
Zn1 O1 Zn1A 77.46(16) . .
Zn2A O1 Zn1A 110.15(16) . 4_665
Zn2A O1 Zn1A 109.20(16) 4_665 4_665
Zn2 O1 Zn1A 57.0(2) 4_665 4_665
Zn2 O1 Zn1A 84.4(3) . 4_665
Zn1 O1 Zn1A 77.46(16) 4_665 4_665
Zn1 O1 Zn1A 163.59(15) . 4_665
Zn1A O1 Zn1A 105.7(5) . 4_665
Zn3 O2 Zn3 180.0 4_664 .
Zn3 O2 Zn4 65.47(10) 4_664 5_564
Zn3 O2 Zn4 114.54(10) . 5_564
Zn3 O2 Zn4 114.54(10) 4_664 3_565
Zn3 O2 Zn4 65.46(10) . 3_565
Zn4 O2 Zn4 92.3(2) 5_564 3_565
Zn3 O2 Zn4 114.54(10) 4_664 .
Zn3 O2 Zn4 65.47(10) . .
Zn4 O2 Zn4 62.0(2) 5_564 .
Zn4 O2 Zn4 103.97(12) 3_565 .
Zn3 O2 Zn4 65.46(10) 4_664 4_664
Zn3 O2 Zn4 114.54(10) . 4_664
Zn4 O2 Zn4 103.97(12) 5_564 4_664
Zn4 O2 Zn4 62.0(2) 3_565 4_664
Zn4 O2 Zn4 161.1(2) . 4_664
Zn3 O2 Zn4 65.46(10) 4_664 6_554
Zn3 O2 Zn4 114.54(10) . 6_554
Zn4 O2 Zn4 103.96(12) 5_564 6_554
Zn4 O2 Zn4 161.1(2) 3_565 6_554
Zn4 O2 Zn4 92.3(2) . 6_554
Zn4 O2 Zn4 103.96(12) 4_664 6_554
Zn3 O2 Zn4 114.53(10) 4_664 2_665
Zn3 O2 Zn4 65.46(10) . 2_665
Zn4 O2 Zn4 161.1(2) 5_564 2_665
Zn4 O2 Zn4 103.96(12) 3_565 2_665
Zn4 O2 Zn4 103.97(12) . 2_665
Zn4 O2 Zn4 92.3(2) 4_664 2_665
Zn4 O2 Zn4 62.0(2) 6_554 2_665
C35 O10A Zn2A 131.6(19) . .
C27 O5A Zn1A 140.6(16) . 8_455
C1 O4A Zn2A 123.8(16) . .
C28 O9 Zn2 130(2) . .
C30 C29 C30 119.5(10) 4_665 .
C30 C29 C30A 73.2(11) 4_665 4_665
C30 C29 C30A 77.3(11) . 4_665
C30 C29 C30A 77.3(11) 4_665 .
C30 C29 C30A 73.2(11) . .
C30A C29 C30A 119.3(10) 4_665 .
C30 C29 C28 120.2(5) 4_665 .
C30 C29 C28 120.2(5) . .
C30A C29 C28 120.3(5) 4_665 .
C30A C29 C28 120.3(5) . .
C1 O3 Zn1 130.5(16) . .
C27 O6 Zn2 127.4(15) . 11
C28 O9A Zn1A 133(3) . .
C3A C2 C7 85.2(12) . .
C3A C2 C3 65.1(13) . .
C7 C2 C3 120.0 . .
C3A C2 C7A 120.0(9) . .
C7 C2 C7A 65.3(11) . .
C3 C2 C7A 85.5(10) . .
C3A C2 C1 126.8(13) . .
C7 C2 C1 116.9(7) . .
C3 C2 C1 122.7(6) . .
C7A C2 C1 113.1(13) . .
C2 C7 C6 120.0 . .
C2 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C4A C5 C6 90.5(12) . .
C4A C5 C4 59.2(14) . .
C6 C5 C4 120.0 . .
C4A C5 C6A 119.3(10) . .
C6 C5 C6A 68.2(13) . .
C4 C5 C6A 82.9(12) . .
C4A C5 C8 120.8(13) . .
C6 C5 C8 119.7(12) . .
C4 C5 C8 120.3(12) . .
C6A C5 C8 119.1(13) . .
C5 C4 C3 120.0 . .
C5 C4 C103 119.7(13) . .
C3 C4 C103 120.2(13) . .
C4 C3 C2 120.0 . .
C4 C3 C100 120.9(12) . .
C2 C3 C100 119.1(12) . .
C9 C8 C13 120.0 . .
C9 C8 C5 119.7(11) . .
C13 C8 C5 120.3(11) . .
C10 C9 C8 120.0 . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 C11 120.0 . .
C9 C10 C21 117.7(11) . .
C11 C10 C21 122.3(11) . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 C14 122.8(11) . .
C11 C12 C14 117.1(11) . .
C12 C13 C8 120.0 . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
O4 C1 O3 128(2) . .
O4 C1 O3A 57.1(13) . .
O3 C1 O3A 81.8(18) . .
O4 C1 O4A 84(2) . .
O3 C1 O4A 98.8(19) . .
O3A C1 O4A 126(2) . .
O4 C1 C2 110.9(14) . .
O3 C1 C2 114.1(16) . .
O3A C1 C2 112.3(14) . .
O4A C1 C2 115.9(13) . .
C1 O3A Zn1A 131.8(16) . .
C1 O4 Zn2 123.4(16) . .
O10 C35 O10 129(3) . 4_665
O10 C35 O10A 111(2) . .
O10 C35 O10A 38.7(12) 4_665 .
O10 C35 O10A 38.7(12) . 4_665
O10 C35 O10A 111(2) 4_665 4_665
O10A C35 O10A 120(3) . 4_665
O10 C35 C36 115.5(16) . .
O10 C35 C36 115.5(16) 4_665 .
O10A C35 C36 119.8(15) . .
O10A C35 C36 119.8(15) 4_665 .
C37A C36 C37A 119.7(10) 4_665 .
C37A C36 C37 51.6(16) 4_665 4_665
C37A C36 C37 96.7(13) . 4_665
C37A C36 C37 96.7(13) 4_665 .
C37A C36 C37 51.6(16) . .
C37 C36 C37 119.8(10) 4_665 .
C37A C36 C35 120.1(5) 4_665 .
C37A C36 C35 120.1(5) . .
C37 C36 C35 120.1(5) 4_665 .
C37 C36 C35 120.1(5) . .
C40 C41 C40 120.0(5) . 3_565
C40 C41 H41 120.0 . .
C40 C41 H41 120.0 3_565 .
C41 C40 C41 120.0(5) 4_665 .
C41 C40 C39 120.0(3) 4_665 .
C41 C40 C39 120.0(3) . .
C36 C37 C38 120.1(6) . .
C36 C37 N1 119.5(13) . .
C38 C37 N1 120.4(13) . .
C26A C21 C22 60.5(8) . .
C26A C21 C26 89.2(7) . .
C22 C21 C26 120.0 . .
C26A C21 C22A 119.9(9) . .
C22 C21 C22A 88.6(8) . .
C26 C21 C22A 61.9(8) . .
C26A C21 C10 121.2(14) . .
C22 C21 C10 121.7(12) . .
C26 C21 C10 118.3(12) . .
C22A C21 C10 118.9(14) . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 120.0 . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C25A C24 C25 89.5(8) . .
C25A C24 C23 60.5(9) . .
C25 C24 C23 120.0 . .
C25A C24 C23A 120.1(9) . .
C25 C24 C23A 62.8(9) . .
C23 C24 C23A 87.7(8) . .
C25A C24 C27 120.2(17) . .
C25 C24 C27 123.1(15) . .
C23 C24 C27 116.9(15) . .
C23A C24 C27 119.4(16) . .
C24 C25 C26 120.0 . .
C24 C25 N4 120.5(12) . .
C26 C25 N4 119.5(12) . .
C25 C26 C21 120.0 . .
C25 C26 H26 120.0 . .
C21 C26 H26 120.0 . .
C38 C39 C38 119.8(10) . 4_665
C38 C39 C38A 52.0(16) . .
C38 C39 C38A 96.4(13) 4_665 .
C38 C39 C38A 96.4(13) . 4_665
C38 C39 C38A 52.0(16) 4_665 4_665
C38A C39 C38A 119.5(10) . 4_665
C38 C39 C40 120.1(5) . .
C38 C39 C40 120.1(5) 4_665 .
C38A C39 C40 120.3(5) . .
C38A C39 C40 120.3(5) 4_665 .
C39 C38 C37 120.1(7) . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C33 C34 C33 119.9(5) 6_455 .
C33 C34 H34 120.0 6_455 .
C33 C34 H34 120.0 . .
C31 C32 C31 119.9(10) 4_665 .
C31 C32 C31A 72.8(13) 4_665 4_665
C31 C32 C31A 78.1(12) . 4_665
C31 C32 C31A 78.1(12) 4_665 .
C31 C32 C31A 72.8(13) . .
C31A C32 C31A 119.8(10) 4_665 .
C31 C32 C33 120.1(5) 4_665 .
C31 C32 C33 120.1(5) . .
C31A C32 C33 120.1(5) 4_665 .
C31A C32 C33 120.1(5) . .
C34 C33 C34 120.1(5) 4_665 .
C34 C33 C32 120.0(2) 4_665 .
C34 C33 C32 120.0(2) . .
C31 C30 C29 120.1(6) . .
C31 C30 N2 119.4(13) . .
C29 C30 N2 120.5(13) . .
C32 C31 C30 120.2(7) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C35 O10 Zn1 126(2) . .
O9A C28 O9A 125(4) 4_665 .
O9A C28 O9 95(2) 4_665 .
O9A C28 O9 59.6(14) . .
O9A C28 O9 59.6(14) 4_665 4_665
O9A C28 O9 95(2) . 4_665
O9 C28 O9 126(3) . 4_665
O9A C28 C29 117(2) 4_665 .
O9A C28 C29 117(2) . .
O9 C28 C29 117.1(16) . .
O9 C28 C29 117.1(16) 4_665 .
C27 O6A Zn2A 130(2) . 11
O6A C27 O5 56.0(17) . .
O6A C27 O5A 120(2) . .
O5 C27 O5A 84.1(19) . .
O6A C27 O6 73.7(19) . .
O5 C27 O6 117(2) . .
O5A C27 O6 90.5(18) . .
O6A C27 C24 122(3) . .
O5 C27 C24 120(3) . .
O5A C27 C24 117(2) . .
O6 C27 C24 118(2) . .
C27 O5 Zn1 133(2) . 8_455
C15 C16 C17 120.0 . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C19 C14 C15 120.0 . .
C19 C14 C19A 54.9(12) . .
C15 C14 C19A 94.8(10) . .
C19 C14 C15A 94.1(11) . .
C15 C14 C15A 55.7(12) . .
C19A C14 C15A 121.0(9) . .
C19 C14 C12 118.1(13) . .
C15 C14 C12 121.8(13) . .
C19A C14 C12 115.5(13) . .
C15A C14 C12 123.5(13) . .
C14 C19 C18 120.0 . .
C14 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C17 C18 C19 120.0 . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C18 C17 C16 120.0 . .
C18 C17 C18A 55.7(8) . .
C16 C17 C18A 94.0(7) . .
C18 C17 C16A 93.9(11) . .
C16 C17 C16A 55.9(12) . .
C18A C17 C16A 120.9(9) . .
C18 C17 C20 124.3(14) . .
C16 C17 C20 115.3(14) . .
C18A C17 C20 127.2(14) . .
C16A C17 C20 111.9(14) . .
C24 C25A C26A 119.9(10) . .
C24 C25A H25A 120.1 . .
C26A C25A H25A 120.1 . .
C22A C23A C24 119.5(9) . .
C22A C23A N5 118.6(14) . .
C24 C23A N5 121.7(13) . .
C23A C22A C21 119.9(10) . .
C23A C22A H22A 120.0 . .
C21 C22A H22A 120.0 . .
C2 C7A C6A 119.7(10) . .
C2 C7A H7A 120.2 . .
C6A C7A H7A 120.2 . .
C5 C6A C7A 119.4(11) . .
C5 C6A H6A 120.3 . .
C7A C6A H6A 120.3 . .
C17 C18A C19A 119.6(9) . .
C17 C18A N3 121.1(14) . .
C19A C18A N3 119.3(14) . .
C2 C3A C4A 119.7(11) . .
C2 C3A H3A 120.1 . .
C4A C3A H3A 120.1 . .
C5 C4A C3A 119.5(11) . .
C5 C4A H4A 120.2 . .
C3A C4A H4A 120.2 . .
O8A C20 O8 57.3(12) . .
O8A C20 O7 82.3(16) . .
O8 C20 O7 112.0(19) . .
O8A C20 O7A 134.0(18) . .
O8 C20 O7A 102.3(18) . .
O7 C20 O7A 67.3(13) . .
O8A C20 C17 111.0(18) . .
O8 C20 C17 129.6(18) . .
O7 C20 C17 114.4(17) . .
O7A C20 C17 112.7(17) . .
C21 C26A C25A 120.7(10) . .
C21 C26A H26A 119.7 . .
C25A C26A H26A 119.7 . .
C14 C19A C18A 119.4(10) . .
C14 C19A H19A 120.3 . .
C18A C19A H19A 120.3 . .
C20 O7 Zn3 124.2(14) . .
C20 O7 Zn4 83.4(12) . .
Zn3 O7 Zn4 53.5(5) . .
C20 O7 Zn4 90.1(13) . 3_565
Zn3 O7 Zn4 50.5(4) . 3_565
Zn4 O7 Zn4 76.8(5) . 3_565
C20 O7A Zn4 130.6(14) . 3_565
C20 O7A Zn3 92.0(12) . .
Zn4 O7A Zn3 51.2(5) 3_565 .
C17 C16A C15A 119.2(10) . .
C17 C16A C113 119.9(18) . .
C15A C16A C113 120.8(14) . .
C14 C15A C16A 119.8(10) . .
C14 C15A C116 119.0(18) . .
C16A C15A C116 121.2(14) . .
C20 O8A Zn4 115.5(14) . .
C20 O8 Zn4 145.2(18) . 5_564
C20 O8 Zn4 103.7(15) . .
Zn4 O8 Zn4 65.1(7) 5_564 .
C31A C30A C29 120.4(7) . .
C31A C30A C112 121.5(15) . .
C29 C30A C112 118.1(17) . .
C30A C31A C32 120.0(7) . .
C30A C31A C109 120.8(15) . .
C32 C31A C109 119.2(17) . .
C38A C37A C36 120.3(7) . .
C38A C37A C105 122.1(15) . .
C36 C37A C105 117.6(17) . .
C37A C38A C39 120.1(7) . .
C37A C38A C108 120.3(15) . .
C39 C38A C108 119.4(17) . .
C102 C103 C4 118.5(13) . .
C102 C103 H103 120.8 . .
C4 C103 H103 120.8 . .
C103 C102 C101 120.4(14) . .
C103 C102 H102 119.8 . .
C101 C102 H102 119.8 . .
C100 C101 C102 120.3(13) . .
C100 C101 H101 119.9 . .
C102 C101 H101 119.9 . .
C101 C100 C3 119.7(13) . .
C101 C100 H100 120.1 . .
C3 C100 H100 120.1 . .
C106 C107 C108 120.7(15) . .
C106 C107 H107 119.6 . .
C108 C107 H107 119.6 . .
C107 C106 C105 120.0(15) . .
C107 C106 H106 120.0 . .
C105 C106 H106 120.0 . .
C106 C105 C37A 118.2(14) . .
C106 C105 H105 120.9 . .
C37A C105 H105 120.9 . .
C107 C108 C38A 118.4(14) . .
C107 C108 H108 120.8 . .
C38A C108 H108 120.8 . .
C37 N1 H1A 120.0 . .
C37 N1 H1B 120.0 . .
H1A N1 H1B 120.0 . .
C30 N2 H2A 120.0 . .
C30 N2 H2B 120.0 . .
H2A N2 H2B 120.0 . .
C110 C109 C31A 118.6(14) . .
C110 C109 H109 120.7 . .
C31A C109 H109 120.7 . .
C111 C112 C30A 118.4(14) . .
C111 C112 H112 120.8 . .
C30A C112 H112 120.8 . .
C111 C110 C109 120.5(15) . .
C111 C110 H110 119.8 . .
C109 C110 H110 119.8 . .
C110 C111 C112 120.1(15) . .
C110 C111 H111 119.9 . .
C112 C111 H111 119.9 . .
C18A N3 H3B 120.0 . .
C18A N3 H3C 120.0 . .
H3B N3 H3C 120.0 . .
C23A N5 H5A 120.0 . .
C23A N5 H5B 120.0 . .
H5A N5 H5B 120.0 . .
C25 N4 H4B 120.0 . .
C25 N4 H4C 120.0 . .
H4B N4 H4C 120.0 . .
C115 C114 C113 120.3(15) . .
C115 C114 H114 119.9 . .
C113 C114 H114 119.9 . .
C114 C113 C16A 118.8(14) . .
C114 C113 H113 120.6 . .
C16A C113 H113 120.6 . .
C114 C115 C116 120.2(15) . .
C114 C115 H115 119.9 . .
C116 C115 H115 119.9 . .
C115 C116 C15A 118.7(14) . .
C115 C116 H116 120.6 . .
C15A C116 H116 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn3 O2 1.783(6) .
Zn3 O7 2.029(19) 3_565
Zn3 O7 2.029(19) .
Zn3 O7 2.029(19) 2_665
Zn3 Zn4 2.053(5) 3_565
Zn3 Zn4 2.053(5) .
Zn3 Zn4 2.054(5) 2_665
Zn3 O7A 2.62(2) 2_665
Zn3 O7A 2.62(2) 3_565
Zn3 O7A 2.62(2) .
Zn3 Zn4 3.184(6) 5_564
Zn3 Zn4 3.184(6) 4_664
Zn2A O4A 1.902(14) .
Zn2A O6A 1.92(3) 11_556
Zn2A O1 1.921(6) .
Zn2A O10A 1.96(2) .
Zn2A Zn1A 3.178(5) .
Zn2A Zn2A 3.190(7) 4_665
Zn2A Zn1A 3.196(5) 4_665
Zn2 O9 1.89(2) .
Zn2 O4 1.921(14) .
Zn2 O1 1.925(6) .
Zn2 O6 1.975(18) 11_556
Zn2 Zn1 3.148(5) 4_665
Zn2 Zn1 3.187(5) .
Zn2 Zn2 3.263(7) 4_665
Zn4 O8 1.805(18) 5_564
Zn4 O8A 1.82(2) .
Zn4 O7A 1.872(18) 2_665
Zn4 O2 2.000(4) .
Zn4 O8 2.01(2) .
Zn4 Zn4 2.061(7) 5_564
Zn4 O7 2.452(19) .
Zn4 O7 2.619(19) 2_665
Zn4 Zn4 2.885(7) 6_554
Zn4 Zn4 3.151(6) 3_565
Zn4 Zn4 3.151(6) 2_665
Zn1 O5 1.85(2) 9_665
Zn1 O10 1.92(2) .
Zn1 O3 1.917(14) .
Zn1 O1 1.965(7) .
Zn1 Zn1 3.100(7) 4_665
Zn1 Zn2 3.148(5) 4_665
Zn1A O9A 1.79(2) .
Zn1A O3A 1.919(14) .
Zn1A O5A 1.94(2) 9_665
Zn1A O1 1.977(7) .
Zn1A Zn1A 3.152(7) 4_665
Zn1A Zn2A 3.196(5) 4_665
O1 Zn2A 1.921(6) 4_665
O1 Zn2 1.925(6) 4_665
O1 Zn1 1.965(7) 4_665
O1 Zn1A 1.977(7) 4_665
O2 Zn3 1.783(6) 4_664
O2 Zn4 2.000(4) 5_564
O2 Zn4 2.000(4) 3_565
O2 Zn4 2.000(4) 4_664
O2 Zn4 2.000(4) 6_554
O2 Zn4 2.000(4) 2_665
O10A C35 1.31(2) .
O5A C27 1.32(2) .
O5A Zn1A 1.94(2) 8_455
O4A C1 1.273(14) .
O9 C28 1.36(2) .
C29 C30 1.410(10) 4_665
C29 C30 1.410(10) .
C29 C30A 1.410(12) 4_665
C29 C30A 1.410(12) .
C29 C28 1.45(3) .
O3 C1 1.263(14) .
O6 C27 1.47(3) .
O6 Zn2 1.975(18) 11
O9A C28 1.22(2) .
C2 C3A 1.387(13) .
C2 C7 1.3900 .
C2 C3 1.3900 .
C2 C7A 1.395(13) .
C2 C1 1.541(18) .
C7 C6 1.3900 .
C7 H7 0.9300 .
C6 C5 1.3900 .
C6 H6 0.9300 .
C5 C4A 1.388(13) .
C5 C4 1.3900 .
C5 C6A 1.396(13) .
C5 C8 1.527(9) .
C4 C3 1.3900 .
C4 C103 1.502(17) .
C3 C100 1.450(14) .
C8 C9 1.3900 .
C8 C13 1.3900 .
C9 C10 1.3900 .
C9 H9 0.9300 .
C10 C11 1.3900 .
C10 C21 1.497(9) .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 C14 1.508(9) .
C13 H13 0.9300 .
C1 O4 1.232(14) .
C1 O3A 1.265(14) .
C35 O10 1.27(2) .
C35 O10 1.27(2) 4_665
C35 O10A 1.31(2) 4_665
C35 C36 1.44(2) .
C36 C37A 1.402(12) 4_665
C36 C37A 1.402(12) .
C36 C37 1.403(10) 4_665
C36 C37 1.403(10) .
C41 C40 1.361(12) .
C41 C40 1.361(12) 3_565
C41 H41 0.9300 .
C40 C41 1.361(12) 4_665
C40 C39 1.533(16) .
C37 C38 1.404(11) .
C37 N1 1.490(15) .
C21 C26A 1.375(12) .
C21 C22 1.3900 .
C21 C26 1.3900 .
C21 C22A 1.397(12) .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 H23 0.9300 .
C24 C25A 1.378(12) .
C24 C25 1.3900 .
C24 C23A 1.403(12) .
C24 C27 1.472(16) .
C25 C26 1.3900 .
C25 N4 1.505(13) .
C26 H26 0.9300 .
C39 C38 1.403(10) .
C39 C38 1.403(10) 4_665
C39 C38A 1.407(12) .
C39 C38A 1.407(12) 4_665
C38 H38 0.9300 .
C34 C33 1.440(11) 6_455
C34 C33 1.440(12) .
C34 H34 0.9300 .
C32 C31 1.404(10) 4_665
C32 C31 1.404(10) .
C32 C31A 1.408(12) 4_665
C32 C31A 1.408(12) .
C32 C33 1.476(16) .
C33 C34 1.440(12) 4_665
C30 C31 1.407(12) .
C30 N2 1.485(15) .
C31 H31 0.9300 .
C28 O9A 1.22(2) 4_665
C28 O9 1.36(2) 4_665
O6A C27 1.16(3) .
O6A Zn2A 1.92(3) 11
C27 O5 1.17(3) .
O5 Zn1 1.85(2) 8_455
C16 C15 1.3900 .
C16 C17 1.3900 .
C16 H16 0.9300 .
C15 C14 1.3900 .
C15 H15 0.9300 .
C14 C19 1.3900 .
C14 C19A 1.394(13) .
C14 C15A 1.397(13) .
C19 C18 1.3900 .
C19 H19 0.9300 .
C18 C17 1.3900 .
C18 H18 0.9300 .
C17 C18A 1.399(12) .
C17 C16A 1.401(13) .
C17 C20 1.495(15) .
C25A C26A 1.392(14) .
C25A H25A 0.9300 .
C23A C22A 1.392(14) .
C23A N5 1.497(15) .
C22A H22A 0.9300 .
C7A C6A 1.400(15) .
C7A H7A 0.9300 .
C6A H6A 0.9300 .
C18A C19A 1.402(15) .
C18A N3 1.492(16) .
C3A C4A 1.391(15) .
C3A H3A 0.9300 .
C4A H4A 0.9300 .
C20 O8A 1.299(15) .
C20 O8 1.321(13) .
C20 O7 1.339(15) .
C20 O7A 1.357(14) .
C26A H26A 0.9300 .
C19A H19A 0.9300 .
O7 Zn4 2.619(19) 3_565
O7A Zn4 1.873(18) 3_565
C16A C15A 1.402(14) .
C16A C113 1.478(17) .
C15A C116 1.478(17) .
O8 Zn4 1.806(18) 5_564
C30A C31A 1.402(14) .
C30A C112 1.478(18) .
C31A C109 1.479(18) .
C37A C38A 1.398(15) .
C37A C105 1.475(18) .
C38A C108 1.482(18) .
C103 C102 1.431(14) .
C103 H103 0.9300 .
C102 C101 1.440(14) .
C102 H102 0.9300 .
C101 C100 1.439(14) .
C101 H101 0.9300 .
C100 H100 0.9300 .
C107 C106 1.454(18) .
C107 C108 1.460(18) .
C107 H107 0.9300 .
C106 C105 1.461(18) .
C106 H106 0.9300 .
C105 H105 0.9300 .
C108 H108 0.9300 .
N1 H1A 0.8600 .
N1 H1B 0.8600 .
N2 H2A 0.8600 .
N2 H2B 0.8600 .
C109 C110 1.459(18) .
C109 H109 0.9300 .
C112 C111 1.460(18) .
C112 H112 0.9300 .
C110 C111 1.458(18) .
C110 H110 0.9300 .
C111 H111 0.9300 .
N3 H3B 0.8600 .
N3 H3C 0.8600 .
N5 H5A 0.8600 .
N5 H5B 0.8600 .
N4 H4B 0.8600 .
N4 H4C 0.8600 .
C114 C115 1.454(18) .
C114 C113 1.462(18) .
C114 H114 0.9300 .
C113 H113 0.9300 .
C115 C116 1.460(18) .
C115 H115 0.9300 .
C116 H116 0.9300 .
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
_geom_torsion_site_symmetry_4
O2 Zn3 Zn4 O8 17.6(16) . 5_564
O7 Zn3 Zn4 O8 56(6) 3_565 5_564
O7 Zn3 Zn4 O8 145.0(17) . 5_564
O7 Zn3 Zn4 O8 -105.0(17) 2_665 5_564
Zn4 Zn3 Zn4 O8 68.8(16) 3_565 5_564
Zn4 Zn3 Zn4 O8 -33.7(16) 2_665 5_564
O7A Zn3 Zn4 O8 -102.4(18) 2_665 5_564
O7A Zn3 Zn4 O8 -22.8(19) 3_565 5_564
O7A Zn3 Zn4 O8 110.7(17) . 5_564
Zn4 Zn3 Zn4 O8 52.2(16) 5_564 5_564
Zn4 Zn3 Zn4 O8 29.3(16) 4_664 5_564
O2 Zn3 Zn4 O8A -126.2(6) . .
O7 Zn3 Zn4 O8A -88(6) 3_565 .
O7 Zn3 Zn4 O8A 1.2(9) . .
O7 Zn3 Zn4 O8A 111.2(9) 2_665 .
Zn4 Zn3 Zn4 O8A -75.0(7) 3_565 .
Zn4 Zn3 Zn4 O8A -177.4(6) 2_665 .
O7A Zn3 Zn4 O8A 113.9(8) 2_665 .
O7A Zn3 Zn4 O8A -166.6(9) 3_565 .
O7A Zn3 Zn4 O8A -33.1(7) . .
Zn4 Zn3 Zn4 O8A -91.5(7) 5_564 .
Zn4 Zn3 Zn4 O8A -114.4(6) 4_664 .
O2 Zn3 Zn4 O7A 120.0(6) . 2_665
O7 Zn3 Zn4 O7A 158(6) 3_565 2_665
O7 Zn3 Zn4 O7A -112.7(9) . 2_665
O7 Zn3 Zn4 O7A -2.6(9) 2_665 2_665
Zn4 Zn3 Zn4 O7A 171.2(6) 3_565 2_665
Zn4 Zn3 Zn4 O7A 68.7(6) 2_665 2_665
O7A Zn3 Zn4 O7A 79.6(4) 3_565 2_665
O7A Zn3 Zn4 O7A -146.9(8) . 2_665
Zn4 Zn3 Zn4 O7A 154.6(6) 5_564 2_665
Zn4 Zn3 Zn4 O7A 131.7(6) 4_664 2_665
O7 Zn3 Zn4 O2 38(6) 3_565 .
O7 Zn3 Zn4 O2 127.4(6) . .
O7 Zn3 Zn4 O2 -122.6(6) 2_665 .
Zn4 Zn3 Zn4 O2 51.22(17) 3_565 .
Zn4 Zn3 Zn4 O2 -51.23(17) 2_665 .
O7A Zn3 Zn4 O2 -120.0(6) 2_665 .
O7A Zn3 Zn4 O2 -40.4(8) 3_565 .
O7A Zn3 Zn4 O2 93.1(4) . .
Zn4 Zn3 Zn4 O2 34.67(15) 5_564 .
Zn4 Zn3 Zn4 O2 11.77(13) 4_664 .
O2 Zn3 Zn4 O8 -88.0(6) . .
O7 Zn3 Zn4 O8 -49(6) 3_565 .
O7 Zn3 Zn4 O8 39.4(8) . .
O7 Zn3 Zn4 O8 149.5(8) 2_665 .
Zn4 Zn3 Zn4 O8 -36.7(6) 3_565 .
Zn4 Zn3 Zn4 O8 -139.2(5) 2_665 .
O7A Zn3 Zn4 O8 152.1(8) 2_665 .
O7A Zn3 Zn4 O8 -128.4(10) 3_565 .
O7A Zn3 Zn4 O8 5.1(7) . .
Zn4 Zn3 Zn4 O8 -53.3(6) 5_564 .
Zn4 Zn3 Zn4 O8 -76.2(6) 4_664 .
O2 Zn3 Zn4 Zn4 -34.67(15) . 5_564
O7 Zn3 Zn4 Zn4 4(6) 3_565 5_564
O7 Zn3 Zn4 Zn4 92.7(6) . 5_564
O7 Zn3 Zn4 Zn4 -157.3(6) 2_665 5_564
Zn4 Zn3 Zn4 Zn4 16.6(3) 3_565 5_564
Zn4 Zn3 Zn4 Zn4 -85.90(18) 2_665 5_564
O7A Zn3 Zn4 Zn4 -154.6(6) 2_665 5_564
O7A Zn3 Zn4 Zn4 -75.1(8) 3_565 5_564
O7A Zn3 Zn4 Zn4 58.4(4) . 5_564
Zn4 Zn3 Zn4 Zn4 -22.9(2) 4_664 5_564
O2 Zn3 Zn4 O7 -127.4(6) . .
O7 Zn3 Zn4 O7 -89(5) 3_565 .
O7 Zn3 Zn4 O7 110.0(9) 2_665 .
Zn4 Zn3 Zn4 O7 -76.2(6) 3_565 .
Zn4 Zn3 Zn4 O7 -178.6(6) 2_665 .
O7A Zn3 Zn4 O7 112.7(9) 2_665 .
O7A Zn3 Zn4 O7 -167.8(11) 3_565 .
O7A Zn3 Zn4 O7 -34.3(7) . .
Zn4 Zn3 Zn4 O7 -92.7(6) 5_564 .
Zn4 Zn3 Zn4 O7 -115.6(6) 4_664 .
O2 Zn3 Zn4 O7 122.6(6) . 2_665
O7 Zn3 Zn4 O7 161(6) 3_565 2_665
O7 Zn3 Zn4 O7 -110.0(9) . 2_665
Zn4 Zn3 Zn4 O7 173.8(6) 3_565 2_665
Zn4 Zn3 Zn4 O7 71.4(6) 2_665 2_665
O7A Zn3 Zn4 O7 2.6(9) 2_665 2_665
O7A Zn3 Zn4 O7 82.2(10) 3_565 2_665
O7A Zn3 Zn4 O7 -144.3(6) . 2_665
Zn4 Zn3 Zn4 O7 157.3(6) 5_564 2_665
Zn4 Zn3 Zn4 O7 134.3(6) 4_664 2_665
O2 Zn3 Zn4 Zn4 39.48(9) . 6_554
O7 Zn3 Zn4 Zn4 78(6) 3_565 6_554
O7 Zn3 Zn4 Zn4 166.9(6) . 6_554
O7 Zn3 Zn4 Zn4 -83.1(6) 2_665 6_554
Zn4 Zn3 Zn4 Zn4 90.70(19) 3_565 6_554
Zn4 Zn3 Zn4 Zn4 -11.8(2) 2_665 6_554
O7A Zn3 Zn4 Zn4 -80.5(6) 2_665 6_554
O7A Zn3 Zn4 Zn4 -0.9(8) 3_565 6_554
O7A Zn3 Zn4 Zn4 132.6(4) . 6_554
Zn4 Zn3 Zn4 Zn4 74.1(2) 5_564 6_554
Zn4 Zn3 Zn4 Zn4 51.24(15) 4_664 6_554
O2 Zn3 Zn4 Zn4 -51.22(17) . 3_565
O7 Zn3 Zn4 Zn4 -13(6) 3_565 3_565
O7 Zn3 Zn4 Zn4 76.2(6) . 3_565
O7 Zn3 Zn4 Zn4 -173.8(6) 2_665 3_565
Zn4 Zn3 Zn4 Zn4 -102.5(3) 2_665 3_565
O7A Zn3 Zn4 Zn4 -171.2(6) 2_665 3_565
O7A Zn3 Zn4 Zn4 -91.6(9) 3_565 3_565
O7A Zn3 Zn4 Zn4 41.9(4) . 3_565
Zn4 Zn3 Zn4 Zn4 -16.6(3) 5_564 3_565
Zn4 Zn3 Zn4 Zn4 -39.5(2) 4_664 3_565
O2 Zn3 Zn4 Zn4 51.23(17) . 2_665
O7 Zn3 Zn4 Zn4 90(6) 3_565 2_665
O7 Zn3 Zn4 Zn4 178.6(6) . 2_665
O7 Zn3 Zn4 Zn4 -71.4(6) 2_665 2_665
Zn4 Zn3 Zn4 Zn4 102.5(3) 3_565 2_665
O7A Zn3 Zn4 Zn4 -68.7(6) 2_665 2_665
O7A Zn3 Zn4 Zn4 10.8(8) 3_565 2_665
O7A Zn3 Zn4 Zn4 144.3(5) . 2_665
Zn4 Zn3 Zn4 Zn4 85.90(18) 5_564 2_665
Zn4 Zn3 Zn4 Zn4 63.0(2) 4_664 2_665
O9 Zn2 Zn1 O5 -7.8(12) . 9_665
O4 Zn2 Zn1 O5 104.3(12) . 9_665
O1 Zn2 Zn1 O5 -84.9(9) . 9_665
O6 Zn2 Zn1 O5 -153.3(12) 11_556 9_665
Zn1 Zn2 Zn1 O5 -124.7(9) 4_665 9_665
Zn2 Zn2 Zn1 O5 -53.4(9) 4_665 9_665
O9 Zn2 Zn1 O10 153.1(12) . .
O4 Zn2 Zn1 O10 -94.8(11) . .
O1 Zn2 Zn1 O10 75.9(9) . .
O6 Zn2 Zn1 O10 7.6(12) 11_556 .
Zn1 Zn2 Zn1 O10 36.2(8) 4_665 .
Zn2 Zn2 Zn1 O10 107.5(9) 4_665 .
O9 Zn2 Zn1 O3 -110.6(10) . .
O4 Zn2 Zn1 O3 1.5(10) . .
O1 Zn2 Zn1 O3 172.3(7) . .
O6 Zn2 Zn1 O3 104.0(10) 11_556 .
Zn1 Zn2 Zn1 O3 132.6(6) 4_665 .
Zn2 Zn2 Zn1 O3 -156.2(6) 4_665 .
O9 Zn2 Zn1 O1 77.1(9) . .
O4 Zn2 Zn1 O1 -170.8(8) . .
O6 Zn2 Zn1 O1 -68.3(8) 11_556 .
Zn1 Zn2 Zn1 O1 -39.8(4) 4_665 .
Zn2 Zn2 Zn1 O1 31.5(4) 4_665 .
O9 Zn2 Zn1 Zn1 116.9(9) . 4_665
O4 Zn2 Zn1 Zn1 -131.0(7) . 4_665
O1 Zn2 Zn1 Zn1 39.8(4) . 4_665
O6 Zn2 Zn1 Zn1 -28.6(8) 11_556 4_665
Zn2 Zn2 Zn1 Zn1 71.28(14) 4_665 4_665
O9 Zn2 Zn1 Zn2 45.6(8) . 4_665
O4 Zn2 Zn1 Zn2 157.7(7) . 4_665
O1 Zn2 Zn1 Zn2 -31.5(4) . 4_665
O6 Zn2 Zn1 Zn2 -99.9(8) 11_556 4_665
Zn1 Zn2 Zn1 Zn2 -71.28(15) 4_665 4_665
O4A Zn2A Zn1A O9A 121.8(12) . .
O6A Zn2A Zn1A O9A 12.6(14) 11_556 .
O1 Zn2A Zn1A O9A -77.5(11) . .
O10A Zn2A Zn1A O9A -144.8(14) . .
Zn2A Zn2A Zn1A O9A -110.3(11) 4_665 .
Zn1A Zn2A Zn1A O9A -40.0(11) 4_665 .
O4A Zn2A Zn1A O3A 2.4(10) . .
O6A Zn2A Zn1A O3A -106.8(12) 11_556 .
O1 Zn2A Zn1A O3A 163.1(9) . .
O10A Zn2A Zn1A O3A 95.8(12) . .
Zn2A Zn2A Zn1A O3A 130.3(8) 4_665 .
Zn1A Zn2A Zn1A O3A -159.4(8) 4_665 .
O4A Zn2A Zn1A O5A -94.8(10) . 9_665
O6A Zn2A Zn1A O5A 156.0(12) 11_556 9_665
O1 Zn2A Zn1A O5A 65.9(8) . 9_665
O10A Zn2A Zn1A O5A -1.4(12) . 9_665
Zn2A Zn2A Zn1A O5A 33.0(8) 4_665 9_665
Zn1A Zn2A Zn1A O5A 103.4(8) 4_665 9_665
O4A Zn2A Zn1A O1 -160.7(7) . .
O6A Zn2A Zn1A O1 90.1(10) 11_556 .
O10A Zn2A Zn1A O1 -67.3(9) . .
Zn2A Zn2A Zn1A O1 -32.8(4) 4_665 .
Zn1A Zn2A Zn1A O1 37.5(3) 4_665 .
O4A Zn2A Zn1A Zn1A 161.8(6) . 4_665
O6A Zn2A Zn1A Zn1A 52.6(9) 11_556 4_665
O1 Zn2A Zn1A Zn1A -37.5(3) . 4_665
O10A Zn2A Zn1A Zn1A -104.8(9) . 4_665
Zn2A Zn2A Zn1A Zn1A -70.32(15) 4_665 4_665
O4A Zn2A Zn1A Zn2A -127.9(6) . 4_665
O6A Zn2A Zn1A Zn2A 122.9(9) 11_556 4_665
O1 Zn2A Zn1A Zn2A 32.8(3) . 4_665
O10A Zn2A Zn1A Zn2A -34.5(9) . 4_665
Zn1A Zn2A Zn1A Zn2A 70.32(15) 4_665 4_665
O4A Zn2A O1 Zn2A -101.7(7) . 4_665
O6A Zn2A O1 Zn2A 128.0(10) 11_556 4_665
O10A Zn2A O1 Zn2A 7.9(8) . 4_665
Zn1A Zn2A O1 Zn2A -122.4(3) . 4_665
Zn1A Zn2A O1 Zn2A 121.9(3) 4_665 4_665
O4A Zn2A O1 Zn2 169.8(17) . 4_665
O6A Zn2A O1 Zn2 39(2) 11_556 4_665
O10A Zn2A O1 Zn2 -80.6(19) . 4_665
Zn1A Zn2A O1 Zn2 149(2) . 4_665
Zn2A Zn2A O1 Zn2 -88.5(17) 4_665 4_665
Zn1A Zn2A O1 Zn2 33.4(15) 4_665 4_665
O4A Zn2A O1 Zn2 61.4(7) . .
O6A Zn2A O1 Zn2 -69.0(10) 11_556 .
O10A Zn2A O1 Zn2 170.9(8) . .
Zn1A Zn2A O1 Zn2 40.6(3) . .
Zn2A Zn2A O1 Zn2 163.03(16) 4_665 .
Zn1A Zn2A O1 Zn2 -75.1(4) 4_665 .
O4A Zn2A O1 Zn1 -165.8(7) . 4_665
O6A Zn2A O1 Zn1 63.9(10) 11_556 4_665
O10A Zn2A O1 Zn1 -56.3(8) . 4_665
Zn1A Zn2A O1 Zn1 173.4(4) . 4_665
Zn2A Zn2A O1 Zn1 -64.12(18) 4_665 4_665
Zn1A Zn2A O1 Zn1 57.8(3) 4_665 4_665
O4A Zn2A O1 Zn1 -53.4(7) . .
O6A Zn2A O1 Zn1 176.3(10) 11_556 .
O10A Zn2A O1 Zn1 56.1(8) . .
Zn1A Zn2A O1 Zn1 -74.2(2) . .
Zn2A Zn2A O1 Zn1 48.27(19) 4_665 .
Zn1A Zn2A O1 Zn1 170.2(4) 4_665 .
O4A Zn2A O1 Zn1A 20.8(8) . .
O6A Zn2A O1 Zn1A -109.6(10) 11_556 .
O10A Zn2A O1 Zn1A 130.3(8) . .
Zn2A Zn2A O1 Zn1A 122.4(3) 4_665 .
Zn1A Zn2A O1 Zn1A -115.7(6) 4_665 .
O4A Zn2A O1 Zn1A 136.4(7) . 4_665
O6A Zn2A O1 Zn1A 6.1(11) 11_556 4_665
O10A Zn2A O1 Zn1A -114.0(8) . 4_665
Zn1A Zn2A O1 Zn1A 115.7(6) . 4_665
Zn2A Zn2A O1 Zn1A -121.9(3) 4_665 4_665
O9 Zn2 O1 Zn2A 167.0(8) . .
O4 Zn2 O1 Zn2A -63.8(8) . .
O6 Zn2 O1 Zn2A 55.3(7) 11_556 .
Zn1 Zn2 O1 Zn2A 39.4(3) 4_665 .
Zn1 Zn2 O1 Zn2A -73.7(4) . .
Zn2 Zn2 O1 Zn2A 163.39(16) 4_665 .
O9 Zn2 O1 Zn2A -98.1(19) . 4_665
O4 Zn2 O1 Zn2A 31(2) . 4_665
O6 Zn2 O1 Zn2A 150.2(17) 11_556 4_665
Zn1 Zn2 O1 Zn2A 134(2) 4_665 4_665
Zn1 Zn2 O1 Zn2A 21.2(15) . 4_665
Zn2 Zn2 O1 Zn2A -101.7(17) 4_665 4_665
O9 Zn2 O1 Zn2 3.6(8) . 4_665
O4 Zn2 O1 Zn2 132.8(8) . 4_665
O6 Zn2 O1 Zn2 -108.1(6) 11_556 4_665
Zn1 Zn2 O1 Zn2 -124.0(3) 4_665 4_665
Zn1 Zn2 O1 Zn2 122.9(3) . 4_665
O9 Zn2 O1 Zn1 127.6(8) . 4_665
O4 Zn2 O1 Zn1 -103.3(8) . 4_665
O6 Zn2 O1 Zn1 15.9(7) 11_556 4_665
Zn1 Zn2 O1 Zn1 -113.1(6) . 4_665
Zn2 Zn2 O1 Zn1 124.0(3) 4_665 4_665
O9 Zn2 O1 Zn1 -119.3(8) . .
O4 Zn2 O1 Zn1 9.9(9) . .
O6 Zn2 O1 Zn1 129.0(7) 11_556 .
Zn1 Zn2 O1 Zn1 113.1(6) 4_665 .
Zn2 Zn2 O1 Zn1 -122.9(3) 4_665 .
O9 Zn2 O1 Zn1A -60.1(8) . .
O4 Zn2 O1 Zn1A 69.1(8) . .
O6 Zn2 O1 Zn1A -171.8(7) 11_556 .
Zn1 Zn2 O1 Zn1A 172.3(4) 4_665 .
Zn1 Zn2 O1 Zn1A 59.2(3) . .
Zn2 Zn2 O1 Zn1A -63.71(18) 4_665 .
O9 Zn2 O1 Zn1A 52.7(8) . 4_665
O4 Zn2 O1 Zn1A -178.1(8) . 4_665
O6 Zn2 O1 Zn1A -59.0(7) 11_556 4_665
Zn1 Zn2 O1 Zn1A -74.9(2) 4_665 4_665
Zn1 Zn2 O1 Zn1A 172.0(5) . 4_665
Zn2 Zn2 O1 Zn1A 49.1(2) 4_665 4_665
O5 Zn1 O1 Zn2A 177.1(9) 9_665 .
O10 Zn1 O1 Zn2A -60.5(8) . .
O3 Zn1 O1 Zn2A 56.2(7) . .
Zn1 Zn1 O1 Zn2A -51.8(2) 4_665 .
Zn2 Zn1 O1 Zn2A -168.7(4) 4_665 .
Zn2 Zn1 O1 Zn2A 63.8(2) . .
O5 Zn1 O1 Zn2A -60.0(9) 9_665 4_665
O10 Zn1 O1 Zn2A 62.5(8) . 4_665
O3 Zn1 O1 Zn2A 179.1(7) . 4_665
Zn1 Zn1 O1 Zn2A 71.2(2) 4_665 4_665
Zn2 Zn1 O1 Zn2A -45.7(3) 4_665 4_665
Zn2 Zn1 O1 Zn2A -173.2(4) . 4_665
O5 Zn1 O1 Zn2 -14.2(10) 9_665 4_665
O10 Zn1 O1 Zn2 108.2(9) . 4_665
O3 Zn1 O1 Zn2 -135.1(7) . 4_665
Zn1 Zn1 O1 Zn2 117.0(3) 4_665 4_665
Zn2 Zn1 O1 Zn2 -127.4(6) . 4_665
O5 Zn1 O1 Zn2 113.2(9) 9_665 .
O10 Zn1 O1 Zn2 -124.4(9) . .
O3 Zn1 O1 Zn2 -7.7(7) . .
Zn1 Zn1 O1 Zn2 -115.6(3) 4_665 .
Zn2 Zn1 O1 Zn2 127.4(6) 4_665 .
O5 Zn1 O1 Zn1 -131.2(9) 9_665 4_665
O10 Zn1 O1 Zn1 -8.8(8) . 4_665
O3 Zn1 O1 Zn1 107.9(6) . 4_665
Zn2 Zn1 O1 Zn1 -117.0(3) 4_665 4_665
Zn2 Zn1 O1 Zn1 115.6(3) . 4_665
O5 Zn1 O1 Zn1A 65.6(9) 9_665 .
O10 Zn1 O1 Zn1A -172.0(8) . .
O3 Zn1 O1 Zn1A -55.3(6) . .
Zn1 Zn1 O1 Zn1A -163.21(16) 4_665 .
Zn2 Zn1 O1 Zn1A 79.8(3) 4_665 .
Zn2 Zn1 O1 Zn1A -47.6(3) . .
O5 Zn1 O1 Zn1A -37.5(19) 9_665 4_665
O10 Zn1 O1 Zn1A 84.9(18) . 4_665
O3 Zn1 O1 Zn1A -158.4(16) . 4_665
Zn1 Zn1 O1 Zn1A 93.6(16) 4_665 4_665
Zn2 Zn1 O1 Zn1A -23.3(13) 4_665 4_665
Zn2 Zn1 O1 Zn1A -150.7(18) . 4_665
O9A Zn1A O1 Zn2A 120.2(10) . .
O3A Zn1A O1 Zn2A -16.8(8) . .
O5A Zn1A O1 Zn2A -126.5(7) 9_665 .
Zn1A Zn1A O1 Zn2A 118.5(3) 4_665 .
Zn2A Zn1A O1 Zn2A -123.7(6) 4_665 .
O9A Zn1A O1 Zn2A -116.1(10) . 4_665
O3A Zn1A O1 Zn2A 106.9(8) . 4_665
O5A Zn1A O1 Zn2A -2.8(8) 9_665 4_665
Zn1A Zn1A O1 Zn2A -117.8(3) 4_665 4_665
Zn2A Zn1A O1 Zn2A 123.7(6) . 4_665
O9A Zn1A O1 Zn2 -51.7(10) . 4_665
O3A Zn1A O1 Zn2 171.3(8) . 4_665
O5A Zn1A O1 Zn2 61.5(7) 9_665 4_665
Zn1A Zn1A O1 Zn2 -53.5(2) 4_665 4_665
Zn2A Zn1A O1 Zn2 -172.0(5) . 4_665
Zn2A Zn1A O1 Zn2 64.4(2) 4_665 4_665
O9A Zn1A O1 Zn2 74.2(10) . .
O3A Zn1A O1 Zn2 -62.9(8) . .
O5A Zn1A O1 Zn2 -172.6(7) 9_665 .
Zn1A Zn1A O1 Zn2 72.40(19) 4_665 .
Zn2A Zn1A O1 Zn2 -46.1(2) . .
Zn2A Zn1A O1 Zn2 -169.8(4) 4_665 .
O9A Zn1A O1 Zn1 100.8(18) . 4_665
O3A Zn1A O1 Zn1 -36.2(18) . 4_665
O5A Zn1A O1 Zn1 -145.9(16) 9_665 4_665
Zn1A Zn1A O1 Zn1 99.0(16) 4_665 4_665
Zn2A Zn1A O1 Zn1 -19.4(13) . 4_665
Zn2A Zn1A O1 Zn1 -143.1(18) 4_665 4_665
O9A Zn1A O1 Zn1 -161.6(10) . .
O3A Zn1A O1 Zn1 61.3(8) . .
O5A Zn1A O1 Zn1 -48.4(7) 9_665 .
Zn1A Zn1A O1 Zn1 -163.39(16) 4_665 .
Zn2A Zn1A O1 Zn1 78.1(4) . .
Zn2A Zn1A O1 Zn1 -45.5(3) 4_665 .
O9A Zn1A O1 Zn1A 1.8(9) . 4_665
O3A Zn1A O1 Zn1A -135.3(8) . 4_665
O5A Zn1A O1 Zn1A 115.0(7) 9_665 4_665
Zn2A Zn1A O1 Zn1A -118.5(3) . 4_665
Zn2A Zn1A O1 Zn1A 117.8(3) 4_665 4_665
O7 Zn3 O2 Zn3 84.5(16) 3_565 4_664
O7 Zn3 O2 Zn3 -155.5(16) . 4_664
O7 Zn3 O2 Zn3 -35.5(16) 2_665 4_664
Zn4 Zn3 O2 Zn3 140.3(15) 3_565 4_664
Zn4 Zn3 O2 Zn3 -99.7(15) . 4_664
Zn4 Zn3 O2 Zn3 20.3(15) 2_665 4_664
O7A Zn3 O2 Zn3 -61.7(15) 2_665 4_664
O7A Zn3 O2 Zn3 58.3(15) 3_565 4_664
O7A Zn3 O2 Zn3 178.3(15) . 4_664
Zn4 Zn3 O2 Zn3 -138.8(15) 5_564 4_664
Zn4 Zn3 O2 Zn3 101.2(15) 4_664 4_664
O7 Zn3 O2 Zn4 -136.7(7) 3_565 5_564
O7 Zn3 O2 Zn4 -16.7(7) . 5_564
O7 Zn3 O2 Zn4 103.3(7) 2_665 5_564
Zn4 Zn3 O2 Zn4 -80.8(2) 3_565 5_564
Zn4 Zn3 O2 Zn4 39.2(2) . 5_564
Zn4 Zn3 O2 Zn4 159.2(2) 2_665 5_564
O7A Zn3 O2 Zn4 77.2(5) 2_665 5_564
O7A Zn3 O2 Zn4 -162.8(5) 3_565 5_564
O7A Zn3 O2 Zn4 -42.8(5) . 5_564
Zn4 Zn3 O2 Zn4 -120.0 4_664 5_564
O7 Zn3 O2 Zn4 -55.9(7) 3_565 3_565
O7 Zn3 O2 Zn4 64.1(7) . 3_565
O7 Zn3 O2 Zn4 -175.9(7) 2_665 3_565
Zn4 Zn3 O2 Zn4 120.0 . 3_565
Zn4 Zn3 O2 Zn4 -120.0 2_665 3_565
O7A Zn3 O2 Zn4 158.0(4) 2_665 3_565
O7A Zn3 O2 Zn4 -82.0(4) 3_565 3_565
O7A Zn3 O2 Zn4 38.0(4) . 3_565
Zn4 Zn3 O2 Zn4 80.8(2) 5_564 3_565
Zn4 Zn3 O2 Zn4 -39.2(2) 4_664 3_565
O7 Zn3 O2 Zn4 -175.9(7) 3_565 .
O7 Zn3 O2 Zn4 -55.9(7) . .
O7 Zn3 O2 Zn4 64.1(7) 2_665 .
Zn4 Zn3 O2 Zn4 -120.0 3_565 .
Zn4 Zn3 O2 Zn4 120.0 2_665 .
O7A Zn3 O2 Zn4 38.0(4) 2_665 .
O7A Zn3 O2 Zn4 158.0(4) 3_565 .
O7A Zn3 O2 Zn4 -82.0(4) . .
Zn4 Zn3 O2 Zn4 -39.2(2) 5_564 .
Zn4 Zn3 O2 Zn4 -159.2(2) 4_664 .
O7 Zn3 O2 Zn4 -16.7(7) 3_565 4_664
O7 Zn3 O2 Zn4 103.3(7) . 4_664
O7 Zn3 O2 Zn4 -136.7(7) 2_665 4_664
Zn4 Zn3 O2 Zn4 39.2(2) 3_565 4_664
Zn4 Zn3 O2 Zn4 159.2(2) . 4_664
Zn4 Zn3 O2 Zn4 -80.8(2) 2_665 4_664
O7A Zn3 O2 Zn4 -162.8(5) 2_665 4_664
O7A Zn3 O2 Zn4 -42.8(5) 3_565 4_664
O7A Zn3 O2 Zn4 77.2(5) . 4_664
Zn4 Zn3 O2 Zn4 120.008(1) 5_564 4_664
O7 Zn3 O2 Zn4 103.3(7) 3_565 6_554
O7 Zn3 O2 Zn4 -136.7(7) . 6_554
O7 Zn3 O2 Zn4 -16.7(7) 2_665 6_554
Zn4 Zn3 O2 Zn4 159.2(2) 3_565 6_554
Zn4 Zn3 O2 Zn4 -80.8(2) . 6_554
Zn4 Zn3 O2 Zn4 39.2(2) 2_665 6_554
O7A Zn3 O2 Zn4 -42.8(5) 2_665 6_554
O7A Zn3 O2 Zn4 77.2(5) 3_565 6_554
O7A Zn3 O2 Zn4 -162.8(5) . 6_554
Zn4 Zn3 O2 Zn4 -120.0 5_564 6_554
Zn4 Zn3 O2 Zn4 119.993(1) 4_664 6_554
O7 Zn3 O2 Zn4 64.1(7) 3_565 2_665
O7 Zn3 O2 Zn4 -175.9(7) . 2_665
O7 Zn3 O2 Zn4 -55.9(7) 2_665 2_665
Zn4 Zn3 O2 Zn4 120.0 3_565 2_665
Zn4 Zn3 O2 Zn4 -120.0 . 2_665
O7A Zn3 O2 Zn4 -82.0(4) 2_665 2_665
O7A Zn3 O2 Zn4 38.0(4) 3_565 2_665
O7A Zn3 O2 Zn4 158.0(4) . 2_665
Zn4 Zn3 O2 Zn4 -159.2(2) 5_564 2_665
Zn4 Zn3 O2 Zn4 80.8(2) 4_664 2_665
O8 Zn4 O2 Zn3 8.6(8) 5_564 4_664
O8A Zn4 O2 Zn3 -107.7(8) . 4_664
O7A Zn4 O2 Zn3 114.5(7) 2_665 4_664
O8 Zn4 O2 Zn3 -82.7(5) . 4_664
Zn3 Zn4 O2 Zn3 180.0 . 4_664
Zn4 Zn4 O2 Zn3 -40.6(2) 5_564 4_664
O7 Zn4 O2 Zn3 -140.8(5) . 4_664
O7 Zn4 O2 Zn3 139.9(4) 2_665 4_664
Zn4 Zn4 O2 Zn3 64.00(13) 6_554 4_664
Zn4 Zn4 O2 Zn3 -125.74(11) 3_565 4_664
Zn4 Zn4 O2 Zn3 125.72(11) 2_665 4_664
O8 Zn4 O2 Zn3 -171.4(8) 5_564 .
O8A Zn4 O2 Zn3 72.3(8) . .
O7A Zn4 O2 Zn3 -65.5(7) 2_665 .
O8 Zn4 O2 Zn3 97.3(5) . .
Zn4 Zn4 O2 Zn3 139.4(2) 5_564 .
O7 Zn4 O2 Zn3 39.2(5) . .
O7 Zn4 O2 Zn3 -40.1(4) 2_665 .
Zn4 Zn4 O2 Zn3 -116.00(13) 6_554 .
Zn4 Zn4 O2 Zn3 54.27(11) 3_565 .
Zn4 Zn4 O2 Zn3 -54.28(11) 2_665 .
O8 Zn4 O2 Zn4 49.2(8) 5_564 5_564
O8A Zn4 O2 Zn4 -67.1(8) . 5_564
O7A Zn4 O2 Zn4 155.1(7) 2_665 5_564
O8 Zn4 O2 Zn4 -42.1(5) . 5_564
Zn3 Zn4 O2 Zn4 -139.4(2) . 5_564
O7 Zn4 O2 Zn4 -100.3(5) . 5_564
O7 Zn4 O2 Zn4 -179.5(5) 2_665 5_564
Zn4 Zn4 O2 Zn4 104.6(2) 6_554 5_564
Zn4 Zn4 O2 Zn4 -85.1(3) 3_565 5_564
Zn4 Zn4 O2 Zn4 166.31(18) 2_665 5_564
O8 Zn4 O2 Zn4 134.3(8) 5_564 3_565
O8A Zn4 O2 Zn4 18.1(8) . 3_565
O7A Zn4 O2 Zn4 -119.7(7) 2_665 3_565
O8 Zn4 O2 Zn4 43.1(6) . 3_565
Zn3 Zn4 O2 Zn4 -54.27(11) . 3_565
Zn4 Zn4 O2 Zn4 85.1(3) 5_564 3_565
O7 Zn4 O2 Zn4 -15.1(5) . 3_565
O7 Zn4 O2 Zn4 -94.4(4) 2_665 3_565
Zn4 Zn4 O2 Zn4 -170.27(9) 6_554 3_565
Zn4 Zn4 O2 Zn4 -108.5(2) 2_665 3_565
O8 Zn4 O2 Zn4 94.2(8) 5_564 4_664
O8A Zn4 O2 Zn4 -22.0(8) . 4_664
O7A Zn4 O2 Zn4 -159.8(7) 2_665 4_664
O8 Zn4 O2 Zn4 3.0(5) . 4_664
Zn3 Zn4 O2 Zn4 -94.37(5) . 4_664
Zn4 Zn4 O2 Zn4 45.04(16) 5_564 4_664
O7 Zn4 O2 Zn4 -55.2(5) . 4_664
O7 Zn4 O2 Zn4 -134.5(4) 2_665 4_664
Zn4 Zn4 O2 Zn4 149.63(11) 6_554 4_664
Zn4 Zn4 O2 Zn4 -40.10(13) 3_565 4_664
Zn4 Zn4 O2 Zn4 -148.65(10) 2_665 4_664
O8 Zn4 O2 Zn4 -55.4(8) 5_564 6_554
O8A Zn4 O2 Zn4 -171.7(8) . 6_554
O7A Zn4 O2 Zn4 50.5(7) 2_665 6_554
O8 Zn4 O2 Zn4 -146.7(5) . 6_554
Zn3 Zn4 O2 Zn4 116.00(13) . 6_554
Zn4 Zn4 O2 Zn4 -104.6(2) 5_564 6_554
O7 Zn4 O2 Zn4 155.2(5) . 6_554
O7 Zn4 O2 Zn4 75.9(4) 2_665 6_554
Zn4 Zn4 O2 Zn4 170.27(9) 3_565 6_554
Zn4 Zn4 O2 Zn4 61.7(2) 2_665 6_554
O8 Zn4 O2 Zn4 -117.2(8) 5_564 2_665
O8A Zn4 O2 Zn4 126.6(8) . 2_665
O7A Zn4 O2 Zn4 -11.2(7) 2_665 2_665
O8 Zn4 O2 Zn4 151.6(5) . 2_665
Zn3 Zn4 O2 Zn4 54.28(11) . 2_665
Zn4 Zn4 O2 Zn4 -166.31(18) 5_564 2_665
O7 Zn4 O2 Zn4 93.4(5) . 2_665
O7 Zn4 O2 Zn4 14.2(4) 2_665 2_665
Zn4 Zn4 O2 Zn4 -61.7(2) 6_554 2_665
Zn4 Zn4 O2 Zn4 108.5(2) 3_565 2_665
O4A Zn2A O10A C35 94(2) . .
O6A Zn2A O10A C35 -150(2) 11_556 .
O1 Zn2A O10A C35 -25(2) . .
Zn1A Zn2A O10A C35 10(3) . .
Zn2A Zn2A O10A C35 -20.2(18) 4_665 .
Zn1A Zn2A O10A C35 -62(2) 4_665 .
O6A Zn2A O4A C1 130(2) 11_556 .
O1 Zn2A O4A C1 -2(2) . .
O10A Zn2A O4A C1 -118(2) . .
Zn1A Zn2A O4A C1 10.1(18) . .
Zn2A Zn2A O4A C1 -39(2) 4_665 .
Zn1A Zn2A O4A C1 33(2) 4_665 .
O4 Zn2 O9 C28 -138.8(19) . .
O1 Zn2 O9 C28 -10(2) . .
O6 Zn2 O9 C28 106(2) 11_556 .
Zn1 Zn2 O9 C28 26(2) 4_665 .
Zn1 Zn2 O9 C28 -47(2) . .
Zn2 Zn2 O9 C28 -8.3(18) 4_665 .
O5 Zn1 O3 C1 -136(2) 9_665 .
O10 Zn1 O3 C1 110(2) . .
O1 Zn1 O3 C1 -13(2) . .
Zn1 Zn1 O3 C1 27(2) 4_665 .
Zn2 Zn1 O3 C1 -45(2) 4_665 .
Zn2 Zn1 O3 C1 -17.2(18) . .
O3A Zn1A O9A C28 123(2) . .
O5A Zn1A O9A C28 -116(3) 9_665 .
O1 Zn1A O9A C28 -5(3) . .
Zn1A Zn1A O9A C28 -4(2) 4_665 .
Zn2A Zn1A O9A C28 31(3) . .
Zn2A Zn1A O9A C28 -42(3) 4_665 .
C3A C2 C7 C6 57.6(9) . .
C3 C2 C7 C6 0.0 . .
C7A C2 C7 C6 -68.6(8) . .
C1 C2 C7 C6 -173.2(12) . .
C2 C7 C6 C5 0.0 . .
C7 C6 C5 C4A -54.1(10) . .
C7 C6 C5 C4 0.0 . .
C7 C6 C5 C6A 67.4(8) . .
C7 C6 C5 C8 179.5(13) . .
C4A C5 C4 C3 70.6(9) . .
C6 C5 C4 C3 0.0 . .
C6A C5 C4 C3 -59.8(9) . .
C8 C5 C4 C3 -179.5(13) . .
C4A C5 C4 C103 -105(3) . .
C6 C5 C4 C103 -176(3) . .
C6A C5 C4 C103 124(3) . .
C8 C5 C4 C103 4(3) . .
C5 C4 C3 C2 0.0 . .
C103 C4 C3 C2 176(3) . .
C5 C4 C3 C100 -178(2) . .
C103 C4 C3 C100 -2(3) . .
C3A C2 C3 C4 -68.1(8) . .
C7 C2 C3 C4 0.0 . .
C7A C2 C3 C4 58.1(8) . .
C1 C2 C3 C4 172.8(13) . .
C3A C2 C3 C100 110(2) . .
C7 C2 C3 C100 177.6(19) . .
C7A C2 C3 C100 -124(2) . .
C1 C2 C3 C100 -10(2) . .
C4A C5 C8 C9 30(2) . .
C6 C5 C8 C9 140.8(10) . .
C4 C5 C8 C9 -39.8(14) . .
C6A C5 C8 C9 -139.1(18) . .
C4A C5 C8 C13 -147(2) . .
C6 C5 C8 C13 -36.9(14) . .
C4 C5 C8 C13 142.6(10) . .
C6A C5 C8 C13 43(2) . .
C13 C8 C9 C10 0.0 . .
C5 C8 C9 C10 -177.7(12) . .
C8 C9 C10 C11 0.0 . .
C8 C9 C10 C21 179.2(12) . .
C9 C10 C11 C12 0.0 . .
C21 C10 C11 C12 -179.2(12) . .
C10 C11 C12 C13 0.0 . .
C10 C11 C12 C14 -175.7(12) . .
C11 C12 C13 C8 0.0 . .
C14 C12 C13 C8 175.5(13) . .
C9 C8 C13 C12 0.0 . .
C5 C8 C13 C12 177.6(12) . .
Zn1 O3 C1 O4 37(3) . .
Zn1 O3 C1 O3A 73(2) . .
Zn1 O3 C1 O4A -53(2) . .
Zn1 O3 C1 C2 -176.4(12) . .
Zn2A O4A C1 O4 -68.3(19) . .
Zn2A O4A C1 O3 59(2) . .
Zn2A O4A C1 O3A -27(3) . .
Zn2A O4A C1 C2 -178.7(11) . .
C3A C2 C1 O4 -33(2) . .
C7 C2 C1 O4 -138.4(17) . .
C3 C2 C1 O4 49(2) . .
C7A C2 C1 O4 149(2) . .
C3A C2 C1 O3 174(2) . .
C7 C2 C1 O3 69.0(16) . .
C3 C2 C1 O3 -104.0(16) . .
C7A C2 C1 O3 -4.0(19) . .
C3A C2 C1 O3A -95(2) . .
C7 C2 C1 O3A 159.8(17) . .
C3 C2 C1 O3A -13(2) . .
C7A C2 C1 O3A 87(2) . .
C3A C2 C1 O4A 61(2) . .
C7 C2 C1 O4A -45(2) . .
C3 C2 C1 O4A 142.3(16) . .
C7A C2 C1 O4A -118(2) . .
O4 C1 O3A Zn1A 85(2) . .
O3 C1 O3A Zn1A -61(2) . .
O4A C1 O3A Zn1A 34(4) . .
C2 C1 O3A Zn1A -173.7(16) . .
O9A Zn1A O3A C1 -138(2) . .
O5A Zn1A O3A C1 101(3) 9_665 .
O1 Zn1A O3A C1 -8(3) . .
Zn1A Zn1A O3A C1 -41(3) 4_665 .
Zn2A Zn1A O3A C1 -18(2) . .
Zn2A Zn1A O3A C1 28(3) 4_665 .
O3 C1 O4 Zn2 -32(3) . .
O3A C1 O4 Zn2 -75.8(19) . .
O4A C1 O4 Zn2 65(2) . .
C2 C1 O4 Zn2 -179.5(12) . .
O9 Zn2 O4 C1 133(2) . .
O1 Zn2 O4 C1 7(2) . .
O6 Zn2 O4 C1 -114(2) 11_556 .
Zn1 Zn2 O4 C1 -34(2) 4_665 .
Zn1 Zn2 O4 C1 12(2) . .
Zn2 Zn2 O4 C1 38(3) 4_665 .
Zn2A O10A C35 O10 -28(2) . .
Zn2A O10A C35 O10 100(3) . 4_665
Zn2A O10A C35 O10A 14.0(13) . 4_665
Zn2A O10A C35 C36 -166.0(13) . .
O10 C35 C36 C37A 73(2) . 4_665
O10 C35 C36 C37A -107(2) 4_665 4_665
O10A C35 C36 C37A -150(2) . 4_665
O10A C35 C36 C37A 30(2) 4_665 4_665
O10 C35 C36 C37A -107(2) . .
O10 C35 C36 C37A 73(2) 4_665 .
O10A C35 C36 C37A 30(2) . .
O10A C35 C36 C37A -150(2) 4_665 .
O10 C35 C36 C37 12.8(14) . 4_665
O10 C35 C36 C37 -167.2(14) 4_665 4_665
O10A C35 C36 C37 149.1(14) . 4_665
O10A C35 C36 C37 -30.9(14) 4_665 4_665
O10 C35 C36 C37 -167.2(14) . .
O10 C35 C36 C37 12.8(14) 4_665 .
O10A C35 C36 C37 -30.9(14) . .
O10A C35 C36 C37 149.1(14) 4_665 .
C40 C41 C40 C41 0.0 3_565 4_665
C40 C41 C40 C39 180.0 3_565 .
C37A C36 C37 C38 -49.2(13) 4_665 .
C37A C36 C37 C38 73.7(11) . .
C37 C36 C37 C38 0.0(5) 4_665 .
C35 C36 C37 C38 -180.0(5) . .
C37A C36 C37 N1 129(3) 4_665 .
C37A C36 C37 N1 -108(3) . .
C37 C36 C37 N1 178(3) 4_665 .
C35 C36 C37 N1 -2(3) . .
C9 C10 C21 C26A -40.1(15) . .
C11 C10 C21 C26A 139.1(12) . .
C9 C10 C21 C22 32.3(15) . .
C11 C10 C21 C22 -148.5(11) . .
C9 C10 C21 C26 -148.0(11) . .
C11 C10 C21 C26 31.2(15) . .
C9 C10 C21 C22A 140.2(12) . .
C11 C10 C21 C22A -40.6(16) . .
C26A C21 C22 C23 -69.8(7) . .
C26 C21 C22 C23 0.0 . .
C22A C21 C22 C23 56.1(7) . .
C10 C21 C22 C23 179.6(14) . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 C25A 70.2(7) . .
C22 C23 C24 C25 0.0 . .
C22 C23 C24 C23A -56.6(7) . .
C22 C23 C24 C27 -178.7(17) . .
C25A C24 C25 C26 -54.9(7) . .
C23 C24 C25 C26 0.0 . .
C23A C24 C25 C26 69.7(7) . .
C27 C24 C25 C26 178.6(18) . .
C25A C24 C25 N4 126(3) . .
C23 C24 C25 N4 -179(2) . .
C23A C24 C25 N4 -110(3) . .
C27 C24 C25 N4 -1(3) . .
C24 C25 C26 C21 0.0 . .
N4 C25 C26 C21 179(2) . .
C26A C21 C26 C25 54.8(7) . .
C22 C21 C26 C25 0.0 . .
C22A C21 C26 C25 -70.1(7) . .
C10 C21 C26 C25 -179.7(14) . .
C41 C40 C39 C38 31.7(9) 4_665 .
C41 C40 C39 C38 -148.3(9) . .
C41 C40 C39 C38 -148.3(9) 4_665 4_665
C41 C40 C39 C38 31.7(9) . 4_665
C41 C40 C39 C38A -29(2) 4_665 .
C41 C40 C39 C38A 151(2) . .
C41 C40 C39 C38A 151(2) 4_665 4_665
C41 C40 C39 C38A -29(2) . 4_665
C38 C39 C38 C37 0.0(5) 4_665 .
C38A C39 C38 C37 -73.4(11) . .
C38A C39 C38 C37 49.4(13) 4_665 .
C40 C39 C38 C37 -180.0(5) . .
C36 C37 C38 C39 0.0(10) . .
N1 C37 C38 C39 -178(3) . .
C33 C34 C33 C34 0.0 6_455 4_665
C33 C34 C33 C32 180.0 6_455 .
C31 C32 C33 C34 42.5(10) 4_665 4_665
C31 C32 C33 C34 -137.5(10) . 4_665
C31A C32 C33 C34 -44.1(15) 4_665 4_665
C31A C32 C33 C34 135.9(15) . 4_665
C31 C32 C33 C34 -137.5(10) 4_665 .
C31 C32 C33 C34 42.5(10) . .
C31A C32 C33 C34 135.9(15) 4_665 .
C31A C32 C33 C34 -44.1(15) . .
C30 C29 C30 C31 -0.9(12) 4_665 .
C30A C29 C30 C31 -63.0(16) 4_665 .
C30A C29 C30 C31 63.3(16) . .
C28 C29 C30 C31 179.1(12) . .
C30 C29 C30 N2 -180.0(12) 4_665 .
C30A C29 C30 N2 117.9(15) 4_665 .
C30A C29 C30 N2 -115.7(15) . .
C28 C29 C30 N2 0.0(12) . .
C31 C32 C31 C30 -0.9(12) 4_665 .
C31A C32 C31 C30 61.1(16) 4_665 .
C31A C32 C31 C30 -65.6(16) . .
C33 C32 C31 C30 179.1(12) . .
C29 C30 C31 C32 2(2) . .
N2 C30 C31 C32 -179.2(18) . .
O10 C35 O10 Zn1 -13.4(12) 4_665 .
O10A C35 O10 Zn1 26(2) . .
O10A C35 O10 Zn1 -87(3) 4_665 .
C36 C35 O10 Zn1 166.6(12) . .
O5 Zn1 O10 C35 150.8(18) 9_665 .
O3 Zn1 O10 C35 -92.7(19) . .
O1 Zn1 O10 C35 25(2) . .
Zn1 Zn1 O10 C35 19.3(17) 4_665 .
Zn2 Zn1 O10 C35 65(2) 4_665 .
Zn2 Zn1 O10 C35 -12(2) . .
Zn1A O9A C28 O9A 3.3(17) . 4_665
Zn1A O9A C28 O9 -70(3) . .
Zn1A O9A C28 O9 59(2) . 4_665
Zn1A O9A C28 C29 -176.7(18) . .
Zn2 O9 C28 O9A -50(2) . 4_665
Zn2 O9 C28 O9A 79(3) . .
Zn2 O9 C28 O9 6.0(13) . 4_665
Zn2 O9 C28 C29 -174.0(13) . .
C30 C29 C28 O9A 60.8(17) 4_665 4_665
C30 C29 C28 O9A -119.2(17) . 4_665
C30A C29 C28 O9A 148.2(19) 4_665 4_665
C30A C29 C28 O9A -31.8(19) . 4_665
C30 C29 C28 O9A -119.1(17) 4_665 .
C30 C29 C28 O9A 60.9(17) . .
C30A C29 C28 O9A -31.8(19) 4_665 .
C30A C29 C28 O9A 148.2(19) . .
C30 C29 C28 O9 172.9(15) 4_665 .
C30 C29 C28 O9 -7.1(15) . .
C30A C29 C28 O9 -99.8(17) 4_665 .
C30A C29 C28 O9 80.2(17) . .
C30 C29 C28 O9 -7.2(15) 4_665 4_665
C30 C29 C28 O9 172.8(15) . 4_665
C30A C29 C28 O9 80.2(17) 4_665 4_665
C30A C29 C28 O9 -99.8(17) . 4_665
Zn2A O6A C27 O5 73(4) 11 .
Zn2A O6A C27 O5A 15(5) 11 .
Zn2A O6A C27 O6 -66(3) 11 .
Zn2A O6A C27 C24 -179.4(17) 11 .
Zn1A O5A C27 O6A -22(5) 8_455 .
Zn1A O5A C27 O5 -68(4) 8_455 .
Zn1A O5A C27 O6 49(3) 8_455 .
Zn1A O5A C27 C24 171.0(19) 8_455 .
Zn2 O6 C27 O6A 71(3) 11 .
Zn2 O6 C27 O5 34(3) 11 .
Zn2 O6 C27 O5A -50(2) 11 .
Zn2 O6 C27 C24 -171.1(14) 11 .
C25A C24 C27 O6A -111(3) . .
C25 C24 C27 O6A 0(4) . .
C23 C24 C27 O6A 179(3) . .
C23A C24 C27 O6A 75(4) . .
C25A C24 C27 O5 -44(3) . .
C25 C24 C27 O5 67(3) . .
C23 C24 C27 O5 -114(3) . .
C23A C24 C27 O5 142(3) . .
C25A C24 C27 O5A 55(3) . .
C25 C24 C27 O5A 166.6(18) . .
C23 C24 C27 O5A -15(3) . .
C23A C24 C27 O5A -118(2) . .
C25A C24 C27 O6 161.6(17) . .
C25 C24 C27 O6 -87(2) . .
C23 C24 C27 O6 92(2) . .
C23A C24 C27 O6 -12(3) . .
O6A C27 O5 Zn1 -86(4) . 8_455
O5A C27 O5 Zn1 46(3) . 8_455
O6 C27 O5 Zn1 -42(4) . 8_455
C24 C27 O5 Zn1 163.8(17) . 8_455
C17 C16 C15 C14 0.0 . .
C16 C15 C14 C19 0.0 . .
C16 C15 C14 C19A -51.9(9) . .
C16 C15 C14 C15A 72.8(8) . .
C16 C15 C14 C12 -176.0(13) . .
C13 C12 C14 C19 -27.1(14) . .
C11 C12 C14 C19 148.5(9) . .
C13 C12 C14 C15 149.0(10) . .
C11 C12 C14 C15 -35.4(14) . .
C13 C12 C14 C19A 35.1(19) . .
C11 C12 C14 C19A -149.3(16) . .
C13 C12 C14 C15A -143.7(18) . .
C11 C12 C14 C15A 32(2) . .
C15 C14 C19 C18 0.0 . .
C19A C14 C19 C18 73.3(8) . .
C15A C14 C19 C18 -52.3(9) . .
C12 C14 C19 C18 176.1(13) . .
C14 C19 C18 C17 0.0 . .
C19 C18 C17 C16 0.0 . .
C19 C18 C17 C18A -72.7(7) . .
C19 C18 C17 C16A 52.5(9) . .
C19 C18 C17 C20 172.5(16) . .
C15 C16 C17 C18 0.0 . .
C15 C16 C17 C18A 52.2(7) . .
C15 C16 C17 C16A -72.9(8) . .
C15 C16 C17 C20 -173.1(14) . .
C25 C24 C25A C26A 54.9(9) . .
C23 C24 C25A C26A -70.5(8) . .
C23A C24 C25A C26A -2.9(15) . .
C27 C24 C25A C26A -176.3(16) . .
C25A C24 C23A C22A 3.9(17) . .
C25 C24 C23A C22A -68.1(10) . .
C23 C24 C23A C22A 57.5(10) . .
C27 C24 C23A C22A 177.4(15) . .
C25A C24 C23A N5 178(3) . .
C25 C24 C23A N5 106(3) . .
C23 C24 C23A N5 -128(3) . .
C27 C24 C23A N5 -8(3) . .
C24 C23A C22A C21 -2.3(14) . .
N5 C23A C22A C21 -177(3) . .
C26A C21 C22A C23A -0.3(12) . .
C22 C21 C22A C23A -54.7(9) . .
C26 C21 C22A C23A 70.8(9) . .
C10 C21 C22A C23A 179.4(13) . .
C3A C2 C7A C6A 4(3) . .
C7 C2 C7A C6A 72(2) . .
C3 C2 C7A C6A -54(2) . .
C1 C2 C7A C6A -178.0(17) . .
C4A C5 C6A C7A 14(4) . .
C6 C5 C6A C7A -63(2) . .
C4 C5 C6A C7A 63(2) . .
C8 C5 C6A C7A -176.2(19) . .
C2 C7A C6A C5 -7(3) . .
C18 C17 C18A C19A 71.1(14) . .
C16 C17 C18A C19A -52.9(15) . .
C16A C17 C18A C19A -0.7(19) . .
C20 C17 C18A C19A -179(2) . .
C18 C17 C18A N3 -107.3(14) . .
C16 C17 C18A N3 128.7(14) . .
C16A C17 C18A N3 -179.1(19) . .
C20 C17 C18A N3 3(2) . .
C7 C2 C3A C4A -65(3) . .
C3 C2 C3A C4A 61(2) . .
C7A C2 C3A C4A -7(3) . .
C1 C2 C3A C4A 174.6(19) . .
C6 C5 C4A C3A 47(3) . .
C4 C5 C4A C3A -78(3) . .
C6A C5 C4A C3A -18(4) . .
C8 C5 C4A C3A 173(2) . .
C2 C3A C4A C5 14(4) . .
C18 C17 C20 O8A 143.1(16) . .
C16 C17 C20 O8A -44(2) . .
C18A C17 C20 O8A 73(2) . .
C16A C17 C20 O8A -106(2) . .
C18 C17 C20 O8 -152(2) . .
C16 C17 C20 O8 20(3) . .
C18A C17 C20 O8 137(2) . .
C16A C17 C20 O8 -41(3) . .
C18 C17 C20 O7 52(2) . .
C16 C17 C20 O7 -135.1(17) . .
C18A C17 C20 O7 -18(3) . .
C16A C17 C20 O7 163(2) . .
C18 C17 C20 O7A -22(2) . .
C16 C17 C20 O7A 150.6(16) . .
C18A C17 C20 O7A -92(2) . .
C16A C17 C20 O7A 89(2) . .
C22 C21 C26A C25A 70.4(7) . .
C26 C21 C26A C25A -55.2(8) . .
C22A C21 C26A C25A 1.4(12) . .
C10 C21 C26A C25A -178.3(14) . .
C24 C25A C26A C21 0.2(11) . .
C19 C14 C19A C18A -73.2(17) . .
C15 C14 C19A C18A 50(2) . .
C15A C14 C19A C18A -2(3) . .
C12 C14 C19A C18A 179.3(19) . .
C17 C18A C19A C14 2(3) . .
N3 C18A C19A C14 -179.7(19) . .
O8A C20 O7 Zn3 73(2) . .
O8 C20 O7 Zn3 23(3) . .
O7A C20 O7 Zn3 -71.4(17) . .
C17 C20 O7 Zn3 -177.1(13) . .
O8A C20 O7 Zn4 36.5(12) . .
O8 C20 O7 Zn4 -13.6(19) . .
O7A C20 O7 Zn4 -108.2(11) . .
C17 C20 O7 Zn4 146.1(15) . .
O8A C20 O7 Zn4 113.1(12) . 3_565
O8 C20 O7 Zn4 63.1(19) . 3_565
O7A C20 O7 Zn4 -31.6(10) . 3_565
C17 C20 O7 Zn4 -137.2(14) . 3_565
O2 Zn3 O7 C20 2(2) . .
O7 Zn3 O7 C20 126(2) 3_565 .
O7 Zn3 O7 C20 -122(2) 2_665 .
Zn4 Zn3 O7 C20 56.2(19) 3_565 .
Zn4 Zn3 O7 C20 -47.7(18) . .
Zn4 Zn3 O7 C20 -35(7) 2_665 .
O7A Zn3 O7 C20 -89(2) 2_665 .
O7A Zn3 O7 C20 121.2(15) 3_565 .
O7A Zn3 O7 C20 52.9(14) . .
Zn4 Zn3 O7 C20 -7.6(18) 5_564 .
Zn4 Zn3 O7 C20 40(2) 4_664 .
O2 Zn3 O7 Zn4 49.8(4) . .
O7 Zn3 O7 Zn4 173.7(6) 3_565 .
O7 Zn3 O7 Zn4 -74.1(8) 2_665 .
Zn4 Zn3 O7 Zn4 103.9(3) 3_565 .
Zn4 Zn3 O7 Zn4 13(6) 2_665 .
O7A Zn3 O7 Zn4 -41.1(5) 2_665 .
O7A Zn3 O7 Zn4 168.9(10) 3_565 .
O7A Zn3 O7 Zn4 100.6(12) . .
Zn4 Zn3 O7 Zn4 40.2(2) 5_564 .
Zn4 Zn3 O7 Zn4 88.0(4) 4_664 .
O2 Zn3 O7 Zn4 -54.1(4) . 3_565
O7 Zn3 O7 Zn4 69.8(7) 3_565 3_565
O7 Zn3 O7 Zn4 -177.9(7) 2_665 3_565
Zn4 Zn3 O7 Zn4 -103.9(3) . 3_565
Zn4 Zn3 O7 Zn4 -91(6) 2_665 3_565
O7A Zn3 O7 Zn4 -144.9(5) 2_665 3_565
O7A Zn3 O7 Zn4 65.0(10) 3_565 3_565
O7A Zn3 O7 Zn4 -3.3(11) . 3_565
Zn4 Zn3 O7 Zn4 -63.7(2) 5_564 3_565
Zn4 Zn3 O7 Zn4 -15.8(4) 4_664 3_565
O8 Zn4 O7 C20 -6(2) 5_564 .
O8A Zn4 O7 C20 -36.4(12) . .
O7A Zn4 O7 C20 -147.4(12) 2_665 .
O2 Zn4 O7 C20 103.1(12) . .
O8 Zn4 O7 C20 9.7(13) . .
Zn3 Zn4 O7 C20 142.0(15) . .
Zn4 Zn4 O7 C20 44.4(13) 5_564 .
O7 Zn4 O7 C20 -171.3(15) 2_665 .
Zn4 Zn4 O7 C20 125.2(12) 6_554 .
Zn4 Zn4 O7 C20 91.6(13) 3_565 .
Zn4 Zn4 O7 C20 141.1(12) 2_665 .
O8 Zn4 O7 Zn3 -148.4(14) 5_564 .
O8A Zn4 O7 Zn3 -178.3(12) . .
O7A Zn4 O7 Zn3 70.7(7) 2_665 .
O2 Zn4 O7 Zn3 -38.9(4) . .
O8 Zn4 O7 Zn3 -132.3(10) . .
Zn4 Zn4 O7 Zn3 -97.5(4) 5_564 .
O7 Zn4 O7 Zn3 46.8(4) 2_665 .
Zn4 Zn4 O7 Zn3 -16.8(8) 6_554 .
Zn4 Zn4 O7 Zn3 -50.3(3) 3_565 .
Zn4 Zn4 O7 Zn3 -0.9(4) 2_665 .
O8 Zn4 O7 Zn4 -98.0(15) 5_564 3_565
O8A Zn4 O7 Zn4 -128.0(11) . 3_565
O7A Zn4 O7 Zn4 121.0(7) 2_665 3_565
O2 Zn4 O7 Zn4 11.4(3) . 3_565
O8 Zn4 O7 Zn4 -81.9(8) . 3_565
Zn3 Zn4 O7 Zn4 50.3(3) . 3_565
Zn4 Zn4 O7 Zn4 -47.2(4) 5_564 3_565
O7 Zn4 O7 Zn4 97.1(5) 2_665 3_565
Zn4 Zn4 O7 Zn4 33.6(7) 6_554 3_565
Zn4 Zn4 O7 Zn4 49.4(3) 2_665 3_565
O8A C20 O7A Zn4 22(4) . 3_565
O8 C20 O7A Zn4 -34(3) . 3_565
O7 C20 O7A Zn4 75(2) . 3_565
C17 C20 O7A Zn4 -177.3(14) . 3_565
O8A C20 O7A Zn3 -15(3) . .
O8 C20 O7A Zn3 -71.5(17) . .
O7 C20 O7A Zn3 37.4(11) . .
C17 C20 O7A Zn3 145.5(13) . .
O2 Zn3 O7A C20 93.8(12) . .
O7 Zn3 O7A C20 -153.4(14) 3_565 .
O7 Zn3 O7A C20 -40.6(11) . .
O7 Zn3 O7A C20 -32.6(18) 2_665 .
Zn4 Zn3 O7A C20 143.9(14) 3_565 .
Zn4 Zn3 O7A C20 31.6(11) . .
Zn4 Zn3 O7A C20 128.8(11) 2_665 .
O7A Zn3 O7A C20 5.0(17) 2_665 .
O7A Zn3 O7A C20 -177.4(8) 3_565 .
Zn4 Zn3 O7A C20 68.3(11) 5_564 .
Zn4 Zn3 O7A C20 128.0(12) 4_664 .
O2 Zn3 O7A Zn4 -50.1(4) . 3_565
O7 Zn3 O7A Zn4 62.7(7) 3_565 3_565
O7 Zn3 O7A Zn4 175.5(15) . 3_565
O7 Zn3 O7A Zn4 -176.5(10) 2_665 3_565
Zn4 Zn3 O7A Zn4 -112.4(5) . 3_565
Zn4 Zn3 O7A Zn4 -15.1(10) 2_665 3_565
O7A Zn3 O7A Zn4 -138.9(6) 2_665 3_565
O7A Zn3 O7A Zn4 38.7(10) 3_565 3_565
Zn4 Zn3 O7A Zn4 -75.6(4) 5_564 3_565
Zn4 Zn3 O7A Zn4 -15.9(4) 4_664 3_565
C18 C17 C16A C15A -52(2) . .
C16 C17 C16A C15A 72(2) . .
C18A C17 C16A C15A 0(3) . .
C20 C17 C16A C15A 178(2) . .
C18 C17 C16A C113 128(2) . .
C16 C17 C16A C113 -108(3) . .
C18A C17 C16A C113 180.0(19) . .
C20 C17 C16A C113 -1(3) . .
C19 C14 C15A C16A 52(2) . .
C15 C14 C15A C16A -72(2) . .
C19A C14 C15A C16A 1(3) . .
C12 C14 C15A C16A 179(2) . .
C19 C14 C15A C116 -128(2) . .
C15 C14 C15A C116 108(3) . .
C19A C14 C15A C116 -179(2) . .
C12 C14 C15A C116 0(3) . .
C17 C16A C15A C14 1(4) . .
C113 C16A C15A C14 -180(2) . .
C17 C16A C15A C116 180(2) . .
C113 C16A C15A C116 -1(4) . .
O8 C20 O8A Zn4 60.9(16) . .
O7 C20 O8A Zn4 -61.5(18) . .
O7A C20 O8A Zn4 -14(3) . .
C17 C20 O8A Zn4 -174.7(12) . .
O8 Zn4 O8A C20 -121.7(19) 5_564 .
O7A Zn4 O8A C20 127.3(17) 2_665 .
O2 Zn4 O8A C20 -8(2) . .
O8 Zn4 O8A C20 -51.9(13) . .
Zn3 Zn4 O8A C20 40.9(17) . .
Zn4 Zn4 O8A C20 -60.6(17) 5_564 .
O7 Zn4 O8A C20 42.3(14) . .
O7 Zn4 O8A C20 90.5(19) 2_665 .
Zn4 Zn4 O8A C20 -32(4) 6_554 .
Zn4 Zn4 O8A C20 2.5(17) 3_565 .
Zn4 Zn4 O8A C20 38(2) 2_665 .
O8A C20 O8 Zn4 -113(4) . 5_564
O7 C20 O8 Zn4 -49(4) . 5_564
O7A C20 O8 Zn4 21(4) . 5_564
C17 C20 O8 Zn4 155(2) . 5_564
O8A C20 O8 Zn4 -47.4(15) . .
O7 C20 O8 Zn4 17(2) . .
O7A C20 O8 Zn4 87.3(18) . .
C17 C20 O8 Zn4 -138.8(19) . .
O8 Zn4 O8 C20 161.5(15) 5_564 .
O8A Zn4 O8 C20 46.0(12) . .
O7A Zn4 O8 C20 44(3) 2_665 .
O2 Zn4 O8 C20 -98.7(15) . .
Zn3 Zn4 O8 C20 -46.5(15) . .
Zn4 Zn4 O8 C20 -145.0(18) 5_564 .
O7 Zn4 O8 C20 -10.1(13) . .
O7 Zn4 O8 C20 -11(2) 2_665 .
Zn4 Zn4 O8 C20 -127.6(13) 6_554 .
Zn4 Zn4 O8 C20 -71.3(14) 3_565 .
Zn4 Zn4 O8 C20 -77.5(16) 2_665 .
O8 Zn4 O8 Zn4 -53.6(10) 5_564 5_564
O8A Zn4 O8 Zn4 -169.1(17) . 5_564
O7A Zn4 O8 Zn4 -170.6(16) 2_665 5_564
O2 Zn4 O8 Zn4 46.3(5) . 5_564
Zn3 Zn4 O8 Zn4 98.5(5) . 5_564
O7 Zn4 O8 Zn4 134.9(10) . 5_564
O7 Zn4 O8 Zn4 133.5(8) 2_665 5_564
Zn4 Zn4 O8 Zn4 17.3(9) 6_554 5_564
Zn4 Zn4 O8 Zn4 73.7(5) 3_565 5_564
Zn4 Zn4 O8 Zn4 67.4(7) 2_665 5_564
C30 C29 C30A C31A 62.1(14) 4_665 .
C30 C29 C30A C31A -64.4(14) . .
C30A C29 C30A C31A -0.1(12) 4_665 .
C28 C29 C30A C31A 179.9(12) . .
C30 C29 C30A C112 -117(3) 4_665 .
C30 C29 C30A C112 117(3) . .
C30A C29 C30A C112 -179(3) 4_665 .
C28 C29 C30A C112 1(3) . .
C29 C30A C31A C32 0(2) . .
C112 C30A C31A C32 179(4) . .
C29 C30A C31A C109 179(3) . .
C112 C30A C31A C109 -2(4) . .
C31 C32 C31A C30A -62.1(16) 4_665 .
C31 C32 C31A C30A 64.6(16) . .
C31A C32 C31A C30A -0.1(11) 4_665 .
C33 C32 C31A C30A 179.9(11) . .
C31 C32 C31A C109 119(3) 4_665 .
C31 C32 C31A C109 -115(3) . .
C31A C32 C31A C109 -179(3) 4_665 .
C33 C32 C31A C109 1(3) . .
C37A C36 C37A C38A -0.4(16) 4_665 .
C37 C36 C37A C38A 49(2) 4_665 .
C37 C36 C37A C38A -74(2) . .
C35 C36 C37A C38A 179.6(16) . .
C37A C36 C37A C105 180(4) 4_665 .
C37 C36 C37A C105 -131(3) 4_665 .
C37 C36 C37A C105 106(4) . .
C35 C36 C37A C105 0(4) . .
C36 C37A C38A C39 1(3) . .
C105 C37A C38A C39 -179(4) . .
C36 C37A C38A C108 -175(5) . .
C105 C37A C38A C108 5(5) . .
C38 C39 C38A C37A 73(2) . .
C38 C39 C38A C37A -50(2) 4_665 .
C38A C39 C38A C37A -0.4(16) 4_665 .
C40 C39 C38A C37A 179.6(16) . .
C38 C39 C38A C108 -111(4) . .
C38 C39 C38A C108 126(4) 4_665 .
C38A C39 C38A C108 175(5) 4_665 .
C40 C39 C38A C108 -5(5) . .
C5 C4 C103 C102 177(3) . .
C3 C4 C103 C102 1(5) . .
C4 C103 C102 C101 1(5) . .
C103 C102 C101 C100 -2(3) . .
C102 C101 C100 C3 1.1(11) . .
C4 C3 C100 C101 0.6(18) . .
C2 C3 C100 C101 -177.1(10) . .
C108 C107 C106 C105 -2(3) . .
C107 C106 C105 C37A 0.2(19) . .
C38A C37A C105 C106 -2(4) . .
C36 C37A C105 C106 178(3) . .
C106 C107 C108 C38A 5(5) . .
C37A C38A C108 C107 -7(6) . .
C39 C38A C108 C107 177(4) . .
C30A C31A C109 C110 0(6) . .
C32 C31A C109 C110 179(4) . .
C31A C30A C112 C111 4(6) . .
C29 C30A C112 C111 -177(4) . .
C31A C109 C110 C111 0(8) . .
C109 C110 C111 C112 3(9) . .
C30A C112 C111 C110 -5(8) . .
C115 C114 C113 C16A 0(4) . .
C17 C16A C113 C114 180(2) . .
C15A C16A C113 C114 0(4) . .
C113 C114 C115 C116 0(5) . .
C114 C115 C116 C15A 0(4) . .
C14 C15A C116 C115 180(2) . .
C16A C15A C116 C115 1(4) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.010 -0.006 -0.003 23463 5352 ' '
