#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:32:15 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178786 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/40/4104098.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_4104098
loop_
_publ_author_name
'Kyoungmoo Koh'
'Antek G. Wong-Foy'
'Adam J. Matzger'
_publ_contact_author_address
;University of Michigan
Department of Chemistry
930 North University Avenue
Ann Arbor, MI 48109
;
_publ_contact_author_email       matzger@umich.edu
_publ_contact_author_name        'Adam J. Matzger'
_publ_section_title
;
 A Porous Coordination Copolymer with over 5000 m2/g BET Surface Area
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4184
_journal_page_last               4185
_journal_paper_doi               10.1021/ja809985t
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C132 H66 O39 S6 Zn12'
_chemical_formula_weight         3252.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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            6
_cell_length_a                   42.1589(8)
_cell_length_b                   42.1589(8)
_cell_length_c                   52.5682(10)
_cell_measurement_reflns_used    165444
_cell_measurement_temperature    95(2)
_cell_measurement_theta_max      50.4
_cell_measurement_theta_min      6.5
_cell_volume                     80916(3)
_computing_cell_refinement       FS_PROCESS
_computing_data_collection       d*TREK
_computing_data_reduction        FS_PROCESS
_computing_molecular_graphics    'CrystalStructure (Version 3.8)'
_computing_publication_material  'CrystalStructure (Version 3.8)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      95(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-SPIDER'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.1068
_diffrn_reflns_av_sigmaI/netI    0.1076
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            328956
_diffrn_reflns_theta_full        50.43
_diffrn_reflns_theta_max         50.43
_diffrn_reflns_theta_min         6.52
_exptl_absorpt_coefficient_mu    0.957
_exptl_absorpt_correction_T_max  0.9627
_exptl_absorpt_correction_T_min  0.9020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             9756
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     854
_refine_ls_number_reflns         28533
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1320
_refine_ls_R_factor_gt           0.0773
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1191P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1899
_refine_ls_wR_factor_ref         0.2136
_reflns_number_gt                16304
_reflns_number_total             28533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja809985t_si_002.cif
_cod_data_source_block           UMCM-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4104098
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-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
Zn1 Zn 0.62313(2) 0.53808(2) 0.583145(16) 0.0640(3) Uani 1 1 d . . .
Zn2 Zn 0.65557(2) 0.61069(2) 0.549621(14) 0.0565(3) Uani 1 1 d . . .
Zn3 Zn 0.707742(19) 0.58182(2) 0.571299(14) 0.0581(3) Uani 1 1 d . . .
Zn4 Zn 0.67294(2) 0.61543(2) 0.608226(14) 0.0600(3) Uani 1 1 d . . .
Zn5 Zn 0.71073(2) 0.73619(2) 0.219729(14) 0.0571(3) Uani 1 1 d . . .
Zn6 Zn 0.74631(3) 0.81050(3) 0.2500 0.0598(4) Uani 1 2 d S . .
Zn7 Zn 0.78396(3) 0.76052(3) 0.2500 0.0552(3) Uani 1 2 d S . .
S1A S 0.54509(10) 0.55091(10) 0.50030(7) 0.2268(15) Uani 0.464(11) 1 d P A 1
C4A C 0.51839(9) 0.48556(9) 0.53058(6) 0.124(2) Uani 0.464(11) 1 d P . 1
H4A H 0.5151 0.4676 0.5428 0.148 Uiso 0.464(11) 1 calc PR A 1
C4B S 0.54509(10) 0.55091(10) 0.50030(7) 0.2268(15) Uani 0.536(11) 1 d P A 2
H4B H 0.5626 0.5815 0.4921 0.272 Uiso 0.536(11) 1 calc PR A 2
S1B S 0.51839(9) 0.48556(9) 0.53058(6) 0.124(2) Uani 0.536(11) 1 d P . 2
S2A S 0.69593(10) 0.85563(10) 0.19052(7) 0.114(2) Uani 0.429(8) 1 d P B 1
C72A C 0.66430(10) 0.78941(10) 0.16068(7) 0.1291(19) Uani 0.429(8) 1 d P B 1
H72A H 0.6573 0.7655 0.1547 0.155 Uiso 0.429(8) 1 calc PR B 1
C72B C 0.69593(10) 0.85563(10) 0.19052(7) 0.114(2) Uani 0.571(8) 1 d P B 2
H72B H 0.7088 0.8736 0.2032 0.137 Uiso 0.571(8) 1 calc PR B 2
S2B S 0.66430(10) 0.78941(10) 0.16068(7) 0.1291(19) Uani 0.571(8) 1 d P B 2
S3A S 0.63405(9) 0.82082(9) 0.12675(6) 0.1063(18) Uani 0.487(8) 1 d P B 1
C73A C 0.66617(10) 0.88609(10) 0.15697(7) 0.127(2) Uani 0.487(8) 1 d P B 1
H73A H 0.6741 0.9099 0.1635 0.153 Uiso 0.487(8) 1 calc PR B 1
C73B C 0.63405(9) 0.82082(9) 0.12675(6) 0.1063(18) Uani 0.513(8) 1 d P B 2
H73B H 0.6213 0.8032 0.1139 0.128 Uiso 0.513(8) 1 calc PR B 2
S3B S 0.66617(10) 0.88609(10) 0.15697(7) 0.127(2) Uani 0.513(8) 1 d P B 2
O1 O 0.66487(8) 0.58647(8) 0.57794(6) 0.0519(10) Uani 1 1 d . . .
O2 O 0.73828(12) 0.76108(13) 0.2500 0.0484(14) Uani 1 2 d S . .
O3 O 0.60729(10) 0.57980(12) 0.53475(7) 0.0734(12) Uani 1 1 d . . .
O4 O 0.58505(10) 0.52742(10) 0.55787(8) 0.0697(12) Uani 1 1 d . . .
O5 O 0.60205(12) 0.53511(13) 0.61672(10) 0.0988(16) Uani 1 1 d . . .
O6 O 0.63684(14) 0.58984(15) 0.63376(9) 0.0981(17) Uani 1 1 d . . .
O7 O 0.67069(14) 0.65973(11) 0.60116(9) 0.0921(16) Uani 1 1 d . . .
O8 O 0.65875(13) 0.65640(11) 0.56025(9) 0.0857(15) Uani 1 1 d . . .
O9 O 0.69213(13) 0.62215(11) 0.52283(7) 0.0793(13) Uani 1 1 d . . .
O10 O 0.72630(11) 0.60087(13) 0.53756(9) 0.0898(16) Uani 1 1 d . . .
O11 O 0.69491(13) 0.53047(12) 0.57154(9) 0.0893(15) Uani 1 1 d . . .
O12 O 0.63640(13) 0.50049(10) 0.58185(11) 0.1105(19) Uani 1 1 d . . .
O13 O 0.74620(10) 0.60818(12) 0.59753(8) 0.0757(13) Uani 1 1 d . . .
O14 O 0.72005(13) 0.63028(13) 0.62265(9) 0.0989(17) Uani 1 1 d . . .
O15 O 0.82353(16) 0.8110(2) 0.2500 0.116(3) Uani 1 2 d SD . .
O16 O 0.79839(18) 0.84576(16) 0.2500 0.097(2) Uani 1 2 d SD . .
O17 O 0.72310(14) 0.81862(13) 0.22056(9) 0.0890(16) Uani 1 1 d . . .
O18 O 0.69634(13) 0.76523(13) 0.19875(8) 0.0807(15) Uani 1 1 d . . .
O19 O 0.78995(10) 0.73774(12) 0.28015(7) 0.0699(13) Uani 1 1 d . . .
O20 O 0.74015(14) 0.72346(15) 0.30123(8) 0.1177(19) Uani 1 1 d . . .
O21 O 0.66786(12) 0.69146(13) 0.22881(8) 0.1094(18) Uani 1 1 d . . .
C1 C 0.58430(18) 0.5470(2) 0.53997(14) 0.0736(12) Uani 1 1 d . A .
C2 C 0.55160(16) 0.52790(17) 0.52579(12) 0.0736(12) Uani 1 1 d . . .
C3 C 0.50579(16) 0.51476(15) 0.49182(11) 0.0736(12) Uani 1 1 d . . .
C5 C 0.6659(2) 0.5013(3) 0.57598(14) 0.095(3) Uani 1 1 d . . .
C6 C 0.6666(3) 0.4664(2) 0.57496(18) 0.114(3) Uani 1 1 d . . .
C7 C 0.6389(2) 0.4373(2) 0.5836(2) 0.207(7) Uani 1 1 d . . .
H7 H 0.6192 0.4383 0.5916 0.248 Uiso 1 1 calc R . .
C8 C 0.6382(3) 0.4045(2) 0.5811(3) 0.239(7) Uani 1 1 d . . .
H8 H 0.6161 0.3823 0.5844 0.286 Uiso 1 1 calc R . .
C9 C 0.6675(3) 0.4028(3) 0.57416(19) 0.135(4) Uani 1 1 d . . .
C10 C 0.6955(2) 0.4325(3) 0.5653(2) 0.193(6) Uani 1 1 d . . .
H10 H 0.7159 0.4318 0.5582 0.232 Uiso 1 1 calc R . .
C11 C 0.6951(2) 0.4658(2) 0.5665(3) 0.208(7) Uani 1 1 d . . .
H11 H 0.7158 0.4879 0.5609 0.249 Uiso 1 1 calc R . .
C12 C 0.6669(3) 0.3660(2) 0.57310(19) 0.142(4) Uani 1 1 d . . .
C13 C 0.6987(2) 0.3654(2) 0.5721(2) 0.166(5) Uani 1 1 d . . .
H13 H 0.7212 0.3878 0.5707 0.200 Uiso 1 1 calc R . .
C14 C 0.6119(3) 0.5588(3) 0.63459(17) 0.105(3) Uani 1 1 d . . .
C15 C 0.5886(3) 0.5452(3) 0.65799(17) 0.132(4) Uani 1 1 d . . .
C16 C 0.5944(3) 0.5700(3) 0.6763(2) 0.170(5) Uani 1 1 d . . .
H16 H 0.6112 0.5951 0.6732 0.204 Uiso 1 1 calc R . .
C17 C 0.5759(3) 0.5591(3) 0.70004(19) 0.175(5) Uani 1 1 d . . .
H17 H 0.5799 0.5761 0.7133 0.209 Uiso 1 1 calc R . .
C18 C 0.5512(3) 0.5213(4) 0.7025(2) 0.205(6) Uani 1 1 d . . .
C19 C 0.5438(3) 0.4943(3) 0.6835(2) 0.242(7) Uani 1 1 d . . .
H19 H 0.5264 0.4692 0.6860 0.290 Uiso 1 1 calc R . .
C20 C 0.5641(3) 0.5073(4) 0.66056(19) 0.223(7) Uani 1 1 d . . .
H20 H 0.5612 0.4908 0.6473 0.267 Uiso 1 1 calc R . .
C21 C 0.7181(2) 0.6159(2) 0.52030(19) 0.092(3) Uani 1 1 d . . .
C22 C 0.7393(2) 0.6279(2) 0.49781(15) 0.098(3) Uani 1 1 d . . .
C23 C 0.7369(3) 0.6495(3) 0.4797(2) 0.193(6) Uani 1 1 d . . .
H23 H 0.7207 0.6588 0.4821 0.231 Uiso 1 1 calc R . .
C24 C 0.7579(3) 0.6582(3) 0.45769(17) 0.175(5) Uani 1 1 d . . .
H24 H 0.7543 0.6725 0.4453 0.210 Uiso 1 1 calc R . .
C25 C 0.7822(3) 0.6485(3) 0.45247(19) 0.147(4) Uani 1 1 d . . .
C26 C 0.7808(3) 0.6231(4) 0.4702(2) 0.208(6) Uani 1 1 d . . .
H26 H 0.7943 0.6111 0.4662 0.249 Uiso 1 1 calc R . .
C27 C 0.7612(3) 0.6134(3) 0.49351(18) 0.185(5) Uani 1 1 d . . .
H27 H 0.7634 0.5976 0.5055 0.222 Uiso 1 1 calc R . .
C28 C 0.8040(3) 0.6597(3) 0.43047(18) 0.174(5) Uani 1 1 d . . .
C29 C 0.7936(2) 0.6701(3) 0.40846(16) 0.168(5) Uani 1 1 d . . .
H29 H 0.7715 0.6708 0.4076 0.201 Uiso 1 1 calc R . .
C30 C 0.8162(3) 0.6792(3) 0.38824(17) 0.152(4) Uani 1 1 d . . .
C31 C 0.8499(2) 0.6802(3) 0.38850(15) 0.168(5) Uani 1 1 d . . .
H31 H 0.8654 0.6878 0.3740 0.201 Uiso 1 1 calc R . .
C32 C 0.8601(3) 0.6694(3) 0.41115(19) 0.165(4) Uani 1 1 d . . .
C33 C 0.8391(3) 0.6605(3) 0.43248(17) 0.177(5) Uani 1 1 d . . .
H33 H 0.8468 0.6550 0.4480 0.212 Uiso 1 1 calc R . .
C34 C 0.8946(3) 0.6689(3) 0.41276(19) 0.159(4) Uani 1 1 d . . .
C35 C 0.9102(4) 0.6700(5) 0.4355(2) 0.286(9) Uani 1 1 d . . .
H35 H 0.9002 0.6736 0.4507 0.343 Uiso 1 1 calc R . .
C36 C 0.9420(3) 0.6656(4) 0.43660(18) 0.253(8) Uani 1 1 d . . .
H36 H 0.9502 0.6617 0.4525 0.303 Uiso 1 1 calc R . .
C37 C 0.9598(2) 0.6671(2) 0.41551(18) 0.097(3) Uani 1 1 d . . .
C38 C 0.9454(3) 0.6685(3) 0.39327(16) 0.194(6) Uani 1 1 d . . .
H38 H 0.9575 0.6692 0.3778 0.232 Uiso 1 1 calc R . .
C39 C 0.9123(3) 0.6690(4) 0.3927(2) 0.212(6) Uani 1 1 d . . .
H39 H 0.9024 0.6695 0.3766 0.254 Uiso 1 1 calc R . .
C40 C 0.66528(19) 0.6717(2) 0.58148(14) 0.078(2) Uani 1 1 d . . .
C41 C 0.8059(3) 0.6920(3) 0.3650(2) 0.165(5) Uani 1 1 d . . .
C42 C 0.8251(3) 0.7064(4) 0.3449(2) 0.211(6) Uani 1 1 d . . .
H42 H 0.8494 0.7105 0.3450 0.254 Uiso 1 1 calc R . .
C43 C 0.8137(3) 0.7166(3) 0.32259(17) 0.199(6) Uani 1 1 d . . .
H43 H 0.8301 0.7266 0.3086 0.239 Uiso 1 1 calc R . .
C44 C 0.7828(2) 0.7128(2) 0.32106(13) 0.0863(17) Uani 1 1 d . . .
C45 C 0.7612(3) 0.6944(4) 0.3399(2) 0.303(10) Uani 1 1 d . . .
H45 H 0.7356 0.6854 0.3382 0.364 Uiso 1 1 calc R . .
C46 C 0.7742(4) 0.6873(5) 0.3625(2) 0.383(14) Uani 1 1 d . . .
H46 H 0.7581 0.6785 0.3768 0.460 Uiso 1 1 calc R . .
C47 C 0.7709(2) 0.7272(2) 0.29914(14) 0.0863(17) Uani 1 1 d . . .
C48 C 0.7039(2) 0.7967(3) 0.20259(17) 0.093(3) Uani 1 1 d . B .
C49 C 0.6883(2) 0.8143(2) 0.18424(14) 0.096(3) Uani 1 1 d . . .
C50 C 0.6715(2) 0.8524(2) 0.16525(14) 0.096(2) Uani 1 1 d . . .
C51 C 0.6571(2) 0.8217(2) 0.15127(15) 0.108(3) Uani 1 1 d . B .
C52 C 0.64100(19) 0.8620(2) 0.13243(15) 0.097(3) Uani 1 1 d . . .
C53 C 0.7465(3) 0.6256(2) 0.61710(16) 0.094(3) Uani 1 1 d . . .
C54 C 0.6542(4) 0.6773(4) 0.2500 0.101(4) Uani 1 2 d S . .
C55 C 0.6207(5) 0.6431(5) 0.2500 0.242(4) Uani 1 2 d S . .
C56 C 0.6073(3) 0.6252(3) 0.23022(18) 0.242(4) Uani 1 1 d . . .
H56 H 0.6203 0.6346 0.2148 0.291 Uiso 1 1 calc R . .
C57 C 0.5733(3) 0.5912(3) 0.22928(17) 0.242(4) Uani 1 1 d . . .
H57 H 0.5627 0.5803 0.2134 0.291 Uiso 1 1 calc R . .
C58 C 0.5577(4) 0.5759(5) 0.2500 0.211(9) Uani 1 2 d S . .
C59 C 0.5241(4) 0.5366(5) 0.2500 0.238(10) Uani 1 2 d S . .
C60 C 0.5467(4) 0.5227(4) 0.7500 0.278(12) Uani 1 2 d S . .
H60 H 0.5696 0.5448 0.7500 0.334 Uiso 1 2 calc SR . .
C61 C 0.5296(4) 0.5062(3) 0.72689(18) 0.259(8) Uani 1 1 d . . .
C62 C 0.4940(3) 0.4776(3) 0.72706(17) 0.240(7) Uani 1 1 d . . .
H62 H 0.4818 0.4675 0.7114 0.288 Uiso 1 1 calc R . .
C63 C 0.8629(3) 0.8747(3) 0.2500 0.145(6) Uani 1 2 d SD . .
C64 C 0.8633(4) 0.9030(4) 0.2500 0.305(15) Uani 1 2 d SD . .
H64 H 0.8412 0.9039 0.2500 0.366 Uiso 1 2 calc SR . .
C65 C 0.8989(5) 0.9361(5) 0.2500 0.380(19) Uani 1 2 d SD . .
H65 H 0.9002 0.9593 0.2500 0.456 Uiso 1 2 calc SR . .
C66 C 0.9291(4) 0.9347(4) 0.2500 0.313(15) Uani 1 2 d SD . .
C67 C 0.9257(5) 0.9037(6) 0.2500 0.51(3) Uani 1 2 d S . .
H67 H 0.9470 0.9014 0.2500 0.615 Uiso 1 2 calc SR . .
C68 C 0.8911(5) 0.8720(4) 0.2500 0.319(15) Uani 1 2 d SD . .
H68 H 0.8890 0.8485 0.2500 0.383 Uiso 1 2 calc SR . .
C69 C 0.9658(4) 0.9688(4) 0.2500 0.51(3) Uani 1 2 d SD . .
C70 C 0.9977(4) 0.9655(3) 0.2500 0.51(3) Uani 1 2 d S . .
H70 H 0.9958 0.9421 0.2500 0.617 Uiso 1 2 calc SR . .
C71 C 0.8250(4) 0.8423(4) 0.2500 0.112(5) Uani 1 2 d SD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
O12 Zn1 O1 112.14(17) . .
O12 Zn1 O5 106.8(2) . .
O1 Zn1 O5 109.90(18) . .
O12 Zn1 O4 109.25(19) . .
O1 Zn1 O4 110.83(15) . .
O5 Zn1 O4 107.73(18) . .
O12 Zn1 Zn4 123.24(14) . .
O1 Zn1 Zn4 35.31(10) . .
O5 Zn1 Zn4 74.60(15) . .
O4 Zn1 Zn4 124.59(12) . .
O12 Zn1 Zn3 76.41(14) . .
O1 Zn1 Zn3 35.76(10) . .
O5 Zn1 Zn3 124.20(14) . .
O4 Zn1 Zn3 124.00(12) . .
Zn4 Zn1 Zn3 60.24(2) . .
O8 Zn2 O3 107.99(18) . .
O8 Zn2 O1 111.50(16) . .
O3 Zn2 O1 111.84(16) . .
O8 Zn2 O9 107.8(2) . .
O3 Zn2 O9 107.82(17) . .
O1 Zn2 O9 109.74(17) . .
O8 Zn2 Zn4 75.96(13) . .
O3 Zn2 Zn4 124.52(12) . .
O1 Zn2 Zn4 35.55(10) . .
O9 Zn2 Zn4 123.88(13) . .
O10 Zn3 O1 108.95(16) . .
O10 Zn3 O11 107.2(2) . .
O1 Zn3 O11 110.76(16) . .
O10 Zn3 O13 110.75(19) . .
O1 Zn3 O13 110.97(17) . .
O11 Zn3 O13 108.15(18) . .
O10 Zn3 Zn1 121.75(13) . .
O1 Zn3 Zn1 35.56(9) . .
O11 Zn3 Zn1 75.21(13) . .
O13 Zn3 Zn1 123.87(13) . .
O6 Zn4 O14 108.1(2) . .
O6 Zn4 O1 112.59(19) . .
O14 Zn4 O1 111.05(18) . .
O6 Zn4 O7 105.6(2) . .
O14 Zn4 O7 107.5(2) . .
O1 Zn4 O7 111.76(16) . .
O6 Zn4 Zn2 123.91(15) . .
O14 Zn4 Zn2 125.32(16) . .
O1 Zn4 Zn2 36.03(10) . .
O7 Zn4 Zn2 75.74(13) . .
O6 Zn4 Zn1 77.22(16) . .
O14 Zn4 Zn1 123.31(15) . .
O1 Zn4 Zn1 35.41(10) . .
O7 Zn4 Zn1 125.75(14) . .
Zn2 Zn4 Zn1 60.77(2) . .
O21 Zn5 O20 106.9(2) . 10_556
O21 Zn5 O2 110.14(17) . .
O20 Zn5 O2 108.96(18) 10_556 .
O21 Zn5 O18 108.8(2) . .
O20 Zn5 O18 107.3(2) 10_556 .
O2 Zn5 O18 114.41(19) . .
O21 Zn5 Zn6 127.01(15) . .
O20 Zn5 Zn6 120.94(16) 10_556 .
O2 Zn5 Zn6 35.72(12) . .
O18 Zn5 Zn6 78.74(14) . .
O21 Zn5 Zn7 118.97(14) . .
O20 Zn5 Zn7 73.56(14) 10_556 .
O2 Zn5 Zn7 35.54(11) . .
O18 Zn5 Zn7 129.83(15) . .
Zn6 Zn5 Zn7 61.26(3) . .
O2 Zn6 O16 110.3(2) . .
O2 Zn6 O17 110.84(16) . 10_556
O16 Zn6 O17 109.89(19) . 10_556
O2 Zn6 O17 110.84(16) . .
O16 Zn6 O17 109.89(19) . .
O17 Zn6 O17 105.0(3) 10_556 .
O2 Zn6 Zn5 35.79(7) . .
O16 Zn6 Zn5 123.80(17) . .
O17 Zn6 Zn5 123.01(15) 10_556 .
O17 Zn6 Zn5 75.06(14) . .
O2 Zn6 Zn5 35.79(7) . 10_556
O16 Zn6 Zn5 123.79(17) . 10_556
O17 Zn6 Zn5 75.06(14) 10_556 10_556
O17 Zn6 Zn5 123.02(15) . 10_556
Zn5 Zn6 Zn5 60.78(3) . 10_556
O19 Zn7 O19 110.0(2) 10_556 .
O19 Zn7 O2 112.55(13) 10_556 .
O19 Zn7 O2 112.54(13) . .
O19 Zn7 O15 106.90(17) 10_556 .
O19 Zn7 O15 106.91(17) . .
O2 Zn7 O15 107.5(3) . .
O19 Zn7 Zn5 126.99(13) 10_556 10_556
O19 Zn7 Zn5 76.97(12) . 10_556
O2 Zn7 Zn5 35.60(7) . 10_556
O15 Zn7 Zn5 121.45(17) . 10_556
O19 Zn7 Zn5 76.99(12) 10_556 .
O19 Zn7 Zn5 126.98(13) . .
O2 Zn7 Zn5 35.59(7) . .
O15 Zn7 Zn5 121.44(17) . .
Zn5 Zn7 Zn5 60.60(3) 10_556 .
C3 S1A C2 93.3(3) . .
C3 C4A C2 95.3(4) 7_666 .
C3 C4A H4A 132.4 7_666 .
C2 C4A H4A 132.4 . .
C49 S2A C50 88.0(4) . .
C49 C72A C51 90.5(4) . .
C49 C72A H72A 134.8 . .
C51 C72A H72A 134.8 . .
C51 S3A C52 92.4(4) . .
C50 C73A C52 89.9(4) . .
C50 C73A H73A 135.1 . .
C52 C73A H73A 135.1 . .
Zn4 O1 Zn1 109.28(16) . .
Zn4 O1 Zn3 109.46(15) . .
Zn1 O1 Zn3 108.68(16) . .
Zn4 O1 Zn2 108.42(16) . .
Zn1 O1 Zn2 110.15(15) . .
Zn3 O1 Zn2 110.83(16) . .
Zn6 O2 Zn7 111.9(2) . .
Zn6 O2 Zn5 108.49(14) . .
Zn7 O2 Zn5 108.87(14) . .
Zn6 O2 Zn5 108.49(14) . 10_556
Zn7 O2 Zn5 108.86(14) . 10_556
Zn5 O2 Zn5 110.2(2) . 10_556
C1 O3 Zn2 128.3(4) . .
C1 O4 Zn1 130.0(4) . .
C14 O5 Zn1 130.9(6) . .
C14 O6 Zn4 131.1(6) . .
C40 O7 Zn4 131.7(5) . .
C40 O8 Zn2 131.0(5) . .
C21 O9 Zn2 133.3(6) . .
C21 O10 Zn3 135.7(5) . .
C5 O11 Zn3 133.3(5) . .
C5 O12 Zn1 132.3(5) . .
C53 O13 Zn3 131.2(5) . .
C53 O14 Zn4 135.4(5) . .
C71 O15 Zn7 134.3(8) . .
C71 O16 Zn6 132.4(9) . .
C48 O17 Zn6 130.3(5) . .
C48 O18 Zn5 126.4(6) . .
C47 O19 Zn7 128.9(4) . .
C47 O20 Zn5 134.3(5) . 10_556
C54 O21 Zn5 132.3(7) . .
O3 C1 O4 128.5(6) . .
O3 C1 C2 120.5(7) . .
O4 C1 C2 110.9(7) . .
C1 C2 C4A 126.6(6) . .
C1 C2 S1A 117.8(6) . .
C4A C2 S1A 115.7(4) . .
C3 C3 S1B 121.9(6) 7_666 7_666
C3 C3 C4A 121.9(6) 7_666 7_666
S1B C3 C4A 0.0(2) 7_666 7_666
C3 C3 S1A 113.6(6) 7_666 .
S1B C3 S1A 124.2(4) 7_666 .
C4A C3 S1A 124.2(4) 7_666 .
O11 C5 O12 122.4(9) . .
O11 C5 C6 118.3(8) . .
O12 C5 C6 119.2(8) . .
C7 C6 C11 121.0(8) . .
C7 C6 C5 118.4(9) . .
C11 C6 C5 120.5(9) . .
C6 C7 C8 118.6(9) . .
C6 C7 H7 120.7 . .
C8 C7 H7 120.7 . .
C9 C8 C7 122.0(9) . .
C9 C8 H8 119.0 . .
C7 C8 H8 119.0 . .
C10 C9 C8 117.9(9) . .
C10 C9 C12 120.4(9) . .
C8 C9 C12 121.2(9) . .
C9 C10 C11 118.9(8) . .
C9 C10 H10 120.6 . .
C11 C10 H10 120.6 . .
C6 C11 C10 120.4(8) . .
C6 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C13 C12 C13 118.3(8) . 3_655
C13 C12 C9 120.1(9) . .
C13 C12 C9 121.5(8) 3_655 .
C12 C13 C12 121.4(8) . 5_665
C12 C13 H13 119.3 . .
C12 C13 H13 119.3 5_665 .
O6 C14 O5 126.1(10) . .
O6 C14 C15 119.8(9) . .
O5 C14 C15 114.1(9) . .
C16 C15 C20 123.8(9) . .
C16 C15 C14 117.2(10) . .
C20 C15 C14 118.8(10) . .
C15 C16 C17 121.3(10) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C18 C17 C16 114.9(9) . .
C18 C17 H17 122.6 . .
C16 C17 H17 122.6 . .
C17 C18 C19 125.6(10) . .
C17 C18 C61 120.1(11) . .
C19 C18 C61 114.3(11) . .
C20 C19 C18 116.0(10) . .
C20 C19 H19 122.0 . .
C18 C19 H19 122.0 . .
C15 C20 C19 118.4(10) . .
C15 C20 H20 120.8 . .
C19 C20 H20 120.8 . .
O10 C21 O9 121.4(9) . .
O10 C21 C22 120.1(7) . .
O9 C21 C22 118.4(8) . .
C23 C22 C27 118.8(8) . .
C23 C22 C21 125.5(9) . .
C27 C22 C21 115.4(9) . .
C22 C23 C24 120.7(9) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C25 C24 C23 125.9(9) . .
C25 C24 H24 117.0 . .
C23 C24 H24 117.0 . .
C24 C25 C26 111.2(9) . .
C24 C25 C28 123.5(9) . .
C26 C25 C28 125.0(10) . .
C25 C26 C27 126.1(10) . .
C25 C26 H26 116.9 . .
C27 C26 H26 116.9 . .
C22 C27 C26 116.3(9) . .
C22 C27 H27 121.8 . .
C26 C27 H27 121.8 . .
C29 C28 C25 122.6(9) . .
C29 C28 C33 121.8(7) . .
C25 C28 C33 115.6(9) . .
C30 C29 C28 117.5(7) . .
C30 C29 H29 121.3 . .
C28 C29 H29 121.3 . .
C29 C30 C31 124.1(7) . .
C29 C30 C41 117.4(7) . .
C31 C30 C41 118.3(8) . .
C30 C31 C32 117.7(7) . .
C30 C31 H31 121.1 . .
C32 C31 H31 121.1 . .
C33 C32 C31 121.5(8) . .
C33 C32 C34 117.5(8) . .
C31 C32 C34 121.0(9) . .
C32 C33 C28 117.2(8) . .
C32 C33 H33 121.4 . .
C28 C33 H33 121.4 . .
C39 C34 C35 116.8(10) . .
C39 C34 C32 122.0(10) . .
C35 C34 C32 121.2(9) . .
C34 C35 C36 119.7(10) . .
C34 C35 H35 120.1 . .
C36 C35 H35 120.1 . .
C37 C36 C35 120.2(8) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 C38 118.6(8) . .
C36 C37 C40 116.6(9) . 11_656
C38 C37 C40 124.8(8) . 11_656
C37 C38 C39 119.7(8) . .
C37 C38 H38 120.2 . .
C39 C38 H38 120.2 . .
C34 C39 C38 124.2(9) . .
C34 C39 H39 117.9 . .
C38 C39 H39 117.9 . .
O7 C40 O8 125.6(8) . .
O7 C40 C37 113.9(7) . 9_566
O8 C40 C37 120.6(7) . 9_566
C46 C41 C42 111.0(10) . .
C46 C41 C30 120.6(10) . .
C42 C41 C30 128.3(9) . .
C41 C42 C43 126.7(8) . .
C41 C42 H42 116.7 . .
C43 C42 H42 116.7 . .
C44 C43 C42 120.8(8) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 114.0(8) . .
C43 C44 C47 122.9(8) . .
C45 C44 C47 123.1(8) . .
C44 C45 C46 122.6(10) . .
C44 C45 H45 118.7 . .
C46 C45 H45 118.7 . .
C41 C46 C45 123.5(10) . .
C41 C46 H46 118.2 . .
C45 C46 H46 118.2 . .
O19 C47 O20 125.5(7) . .
O19 C47 C44 119.0(7) . .
O20 C47 C44 115.1(7) . .
O18 C48 O17 129.5(8) . .
O18 C48 C49 118.3(8) . .
O17 C48 C49 112.2(8) . .
C48 C49 C72A 116.5(7) . .
C48 C49 S2A 118.6(7) . .
C72A C49 S2A 124.9(4) . .
C51 C50 C73A 120.4(6) . .
C51 C50 S2A 119.3(6) . .
C73A C50 S2A 120.2(6) . .
C50 C51 S3A 116.3(6) . .
C50 C51 C72A 117.3(6) . .
S3A C51 C72A 126.4(6) . .
C53 C52 S3A 123.0(6) 6_564 .
C53 C52 C73A 116.1(6) 6_564 .
S3A C52 C73A 120.9(4) . .
O14 C53 O13 121.9(9) . .
O14 C53 C52 121.3(7) . 2_655
O13 C53 C52 116.8(8) . 2_655
O21 C54 O21 124.5(12) . 10_556
O21 C54 C55 117.8(6) . .
O21 C54 C55 117.8(6) 10_556 .
C56 C55 C56 113.6(18) . 10_556
C56 C55 C54 122.2(9) . .
C56 C55 C54 122.2(9) 10_556 .
C55 C56 C57 124.1(12) . .
C55 C56 H56 118.0 . .
C57 C56 H56 118.0 . .
C58 C57 C56 118.9(11) . .
C58 C57 H57 120.5 . .
C56 C57 H57 120.5 . .
C57 C58 C57 118.2(15) . 10_556
C57 C58 C59 120.5(8) . .
C57 C58 C59 120.5(8) 10_556 .
C62 C59 C62 120.1(13) 4_664 7_666
C62 C59 C58 118.1(8) 4_664 .
C62 C59 C58 118.1(8) 7_666 .
C61 C60 C61 119.5(13) . 10_557
C61 C60 H60 120.3 . .
C61 C60 H60 120.3 10_557 .
C62 C61 C60 119.5(11) . .
C62 C61 C18 122.4(9) . .
C60 C61 C18 118.1(10) . .
C61 C62 C59 120.3(10) . 7_666
C61 C62 H62 119.8 . .
C59 C62 H62 119.8 7_666 .
C64 C63 C68 123.9(13) . .
C64 C63 C71 112.9(14) . .
C68 C63 C71 123.2(14) . .
C63 C64 C65 117.0(12) . .
C63 C64 H64 121.5 . .
C65 C64 H64 121.5 . .
C66 C65 C64 121.3(14) . .
C66 C65 H65 119.3 . .
C64 C65 H65 119.3 . .
C67 C66 C65 116.6(15) . .
C67 C66 C69 122.1(17) . .
C65 C66 C69 121.3(16) . .
C66 C67 C68 121.2(14) . .
C66 C67 H67 119.4 . .
C68 C67 H67 119.4 . .
C63 C68 C67 120.0(13) . .
C63 C68 H68 120.0 . .
C67 C68 H68 120.0 . .
C70 C69 C70 121.6(14) 8_676 .
C70 C69 C66 119.7(16) 8_676 .
C70 C69 C66 118.7(14) . .
C69 C70 C69 118.4(14) 3_765 .
C69 C70 H70 120.8 3_765 .
C69 C70 H70 120.8 . .
O16 C71 O15 123.6(13) . .
O16 C71 C63 121.7(12) . .
O15 C71 C63 114.7(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O12 1.928(4) .
Zn1 O1 1.935(3) .
Zn1 O5 1.952(5) .
Zn1 O4 1.955(4) .
Zn1 Zn4 3.1521(10) .
Zn1 Zn3 3.1521(10) .
Zn2 O8 1.946(4) .
Zn2 O3 1.949(4) .
Zn2 O1 1.953(3) .
Zn2 O9 1.962(4) .
Zn2 Zn4 3.1497(10) .
Zn3 O10 1.943(5) .
Zn3 O1 1.945(3) .
Zn3 O11 1.951(4) .
Zn3 O13 1.991(4) .
Zn4 O6 1.908(5) .
Zn4 O14 1.915(4) .
Zn4 O1 1.930(3) .
Zn4 O7 1.952(4) .
Zn5 O21 1.909(5) .
Zn5 O20 1.925(4) 10_556
Zn5 O2 1.940(3) .
Zn5 O18 1.956(4) .
Zn5 Zn6 3.1458(12) .
Zn5 Zn7 3.1542(11) .
Zn6 O2 1.936(5) .
Zn6 O16 1.941(6) .
Zn6 O17 1.950(4) 10_556
Zn6 O17 1.951(4) .
Zn6 Zn5 3.1460(12) 10_556
Zn7 O19 1.934(4) 10_556
Zn7 O19 1.934(4) .
Zn7 O2 1.937(4) .
Zn7 O15 1.940(7) .
Zn7 Zn5 3.1541(11) 10_556
S1A C3 1.656(6) .
S1A C2 1.754(6) .
C4A C3 1.553(6) 7_666
C4A C2 1.647(7) .
C4A H4A 0.9500 .
S2A C49 1.641(8) .
S2A C50 1.643(7) .
C72A C49 1.611(8) .
C72A C51 1.616(7) .
C72A H72A 0.9500 .
S3A C51 1.602(8) .
S3A C52 1.636(8) .
C73A C50 1.608(7) .
C73A C52 1.657(8) .
C73A H73A 0.9500 .
O2 Zn5 1.940(3) 10_556
O3 C1 1.259(7) .
O4 C1 1.263(7) .
O5 C14 1.280(8) .
O6 C14 1.202(9) .
O7 C40 1.222(7) .
O8 C40 1.249(7) .
O9 C21 1.255(7) .
O10 C21 1.251(8) .
O11 C5 1.250(7) .
O12 C5 1.265(7) .
O13 C53 1.261(7) .
O14 C53 1.259(8) .
O15 C71 1.288(11) .
O16 C71 1.203(11) .
O17 C48 1.286(8) .
O18 C48 1.215(8) .
O19 C47 1.218(7) .
O20 C47 1.230(7) .
O20 Zn5 1.925(4) 10_556
O21 C54 1.259(6) .
C1 C2 1.412(7) .
C3 C3 1.386(10) 7_666
C3 S1B 1.553(6) 7_666
C3 C4A 1.553(6) 7_666
C5 C6 1.487(10) .
C6 C7 1.281(10) .
C6 C11 1.292(10) .
C7 C8 1.376(11) .
C7 H7 0.9500 .
C8 C9 1.323(10) .
C8 H8 0.9500 .
C9 C10 1.304(10) .
C9 C12 1.540(10) .
C10 C11 1.417(10) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C13 1.351(8) .
C12 C13 1.373(8) 3_655
C13 C12 1.373(8) 5_665
C13 H13 0.9500 .
C14 C15 1.498(11) .
C15 C16 1.348(11) .
C15 C20 1.410(12) .
C16 C17 1.422(10) .
C16 H16 0.9500 .
C17 C18 1.407(12) .
C17 H17 0.9500 .
C18 C19 1.427(13) .
C18 C61 1.518(12) .
C19 C20 1.419(11) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.414(10) .
C22 C23 1.355(9) .
C22 C27 1.359(10) .
C23 C24 1.391(10) .
C23 H23 0.9500 .
C24 C25 1.307(10) .
C24 H24 0.9500 .
C25 C26 1.401(12) .
C25 C28 1.404(10) .
C26 C27 1.419(11) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.383(10) .
C28 C33 1.469(11) .
C29 C30 1.348(9) .
C29 H29 0.9500 .
C30 C31 1.402(9) .
C30 C41 1.484(11) .
C31 C32 1.416(9) .
C31 H31 0.9500 .
C32 C33 1.360(10) .
C32 C34 1.467(11) .
C33 H33 0.9500 .
C34 C39 1.289(10) .
C34 C35 1.355(11) .
C35 C36 1.443(11) .
C35 H35 0.9500 .
C36 C37 1.322(10) .
C36 H36 0.9500 .
C37 C38 1.332(9) .
C37 C40 1.474(9) 11_656
C38 C39 1.405(11) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C37 1.474(9) 9_566
C41 C46 1.256(11) .
C41 C42 1.286(10) .
C42 C43 1.412(9) .
C42 H42 0.9500 .
C43 C44 1.232(8) .
C43 H43 0.9500 .
C44 C45 1.307(10) .
C44 C47 1.501(9) .
C45 C46 1.403(11) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C48 C49 1.552(10) .
C50 C51 1.338(8) .
C52 C53 1.435(9) 6_564
C53 C52 1.436(9) 2_655
C54 O21 1.259(7) 10_556
C54 C55 1.428(16) .
C55 C56 1.243(11) .
C55 C56 1.243(11) 10_556
C56 C57 1.432(12) .
C56 H56 0.9500 .
C57 C58 1.269(10) .
C57 H57 0.9500 .
C58 C57 1.269(10) 10_556
C58 C59 1.550(17) .
C59 C62 1.391(9) 4_664
C59 C62 1.392(9) 7_666
C60 C61 1.406(9) .
C60 C61 1.407(9) 10_557
C60 H60 0.9500 .
C61 C62 1.377(12) .
C62 C59 1.392(9) 7_666
C62 H62 0.9500 .
C63 C64 1.185(13) .
C63 C68 1.246(14) .
C63 C71 1.495(14) .
C64 C65 1.452(18) .
C64 H64 0.9500 .
C65 C66 1.303(17) .
C65 H65 0.9500 .
C66 C67 1.243(16) .
C66 C69 1.495(15) .
C67 C68 1.403(18) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C70 1.369(15) 8_676
C69 C70 1.420(15) .
C70 C69 1.370(15) 3_765
C70 H70 0.9500 .
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
O12 Zn1 Zn3 O10 104.6(2) . .
O1 Zn1 Zn3 O10 -77.9(2) . .
O5 Zn1 Zn3 O10 -154.1(2) . .
O4 Zn1 Zn3 O10 0.4(2) . .
Zn4 Zn1 Zn3 O10 -113.39(17) . .
O12 Zn1 Zn3 O1 -177.4(2) . .
O5 Zn1 Zn3 O1 -76.2(2) . .
O4 Zn1 Zn3 O1 78.3(2) . .
Zn4 Zn1 Zn3 O1 -35.46(16) . .
O12 Zn1 Zn3 O11 3.3(2) . .
O1 Zn1 Zn3 O11 -179.2(2) . .
O5 Zn1 Zn3 O11 104.6(2) . .
O4 Zn1 Zn3 O11 -100.9(2) . .
Zn4 Zn1 Zn3 O11 145.30(14) . .
O12 Zn1 Zn3 O13 -98.8(2) . .
O1 Zn1 Zn3 O13 78.6(2) . .
O5 Zn1 Zn3 O13 2.4(2) . .
O4 Zn1 Zn3 O13 156.9(2) . .
Zn4 Zn1 Zn3 O13 43.13(16) . .
O8 Zn2 Zn4 O6 99.6(2) . .
O3 Zn2 Zn4 O6 -2.8(3) . .
O1 Zn2 Zn4 O6 -82.1(3) . .
O9 Zn2 Zn4 O6 -158.2(2) . .
O8 Zn2 Zn4 O14 -101.4(2) . .
O3 Zn2 Zn4 O14 156.2(2) . .
O1 Zn2 Zn4 O14 76.9(2) . .
O9 Zn2 Zn4 O14 0.8(2) . .
O8 Zn2 Zn4 O1 -178.3(2) . .
O3 Zn2 Zn4 O1 79.3(2) . .
O9 Zn2 Zn4 O1 -76.1(2) . .
O8 Zn2 Zn4 O7 0.2(2) . .
O3 Zn2 Zn4 O7 -102.2(2) . .
O1 Zn2 Zn4 O7 178.5(2) . .
O9 Zn2 Zn4 O7 102.4(2) . .
O8 Zn2 Zn4 Zn1 146.60(15) . .
O3 Zn2 Zn4 Zn1 44.22(15) . .
O1 Zn2 Zn4 Zn1 -35.07(16) . .
O9 Zn2 Zn4 Zn1 -111.18(16) . .
O12 Zn1 Zn4 O6 -101.2(3) . .
O1 Zn1 Zn4 O6 177.2(2) . .
O5 Zn1 Zn4 O6 -0.9(2) . .
O4 Zn1 Zn4 O6 100.2(2) . .
Zn3 Zn1 Zn4 O6 -146.92(16) . .
O12 Zn1 Zn4 O14 2.2(3) . .
O1 Zn1 Zn4 O14 -79.5(3) . .
O5 Zn1 Zn4 O14 102.4(2) . .
O4 Zn1 Zn4 O14 -156.4(2) . .
Zn3 Zn1 Zn4 O14 -43.6(2) . .
O12 Zn1 Zn4 O1 81.6(3) . .
O5 Zn1 Zn4 O1 -178.1(2) . .
O4 Zn1 Zn4 O1 -76.9(2) . .
Zn3 Zn1 Zn4 O1 35.91(16) . .
O12 Zn1 Zn4 O7 158.7(3) . .
O1 Zn1 Zn4 O7 77.0(2) . .
O5 Zn1 Zn4 O7 -101.1(2) . .
O4 Zn1 Zn4 O7 0.1(2) . .
Zn3 Zn1 Zn4 O7 112.95(18) . .
O12 Zn1 Zn4 Zn2 117.3(2) . .
O1 Zn1 Zn4 Zn2 35.68(16) . .
O5 Zn1 Zn4 Zn2 -142.42(15) . .
O4 Zn1 Zn4 Zn2 -41.25(15) . .
Zn3 Zn1 Zn4 Zn2 71.59(3) . .
O21 Zn5 Zn6 O2 72.0(3) . .
O20 Zn5 Zn6 O2 -79.4(3) 10_556 .
O18 Zn5 Zn6 O2 177.2(2) . .
Zn7 Zn5 Zn6 O2 -34.20(18) . .
O21 Zn5 Zn6 O16 149.5(2) . .
O20 Zn5 Zn6 O16 -1.8(2) 10_556 .
O2 Zn5 Zn6 O16 77.5(2) . .
O18 Zn5 Zn6 O16 -105.3(2) . .
Zn7 Zn5 Zn6 O16 43.32(16) . .
O21 Zn5 Zn6 O17 -7.9(3) . 10_556
O20 Zn5 Zn6 O17 -159.2(2) 10_556 10_556
O2 Zn5 Zn6 O17 -79.9(2) . 10_556
O18 Zn5 Zn6 O17 97.3(2) . 10_556
Zn7 Zn5 Zn6 O17 -114.08(17) . 10_556
O21 Zn5 Zn6 O17 -106.3(2) . .
O20 Zn5 Zn6 O17 102.4(2) 10_556 .
O2 Zn5 Zn6 O17 -178.3(2) . .
O18 Zn5 Zn6 O17 -1.1(2) . .
Zn7 Zn5 Zn6 O17 147.51(15) . .
O21 Zn5 Zn6 Zn5 36.38(19) . 10_556
O20 Zn5 Zn6 Zn5 -114.94(17) 10_556 10_556
O2 Zn5 Zn6 Zn5 -35.58(19) . 10_556
O18 Zn5 Zn6 Zn5 141.57(14) . 10_556
Zn7 Zn5 Zn6 Zn5 -69.79(2) . 10_556
O21 Zn5 Zn7 O19 97.9(2) . 10_556
O20 Zn5 Zn7 O19 -2.7(2) 10_556 10_556
O2 Zn5 Zn7 O19 -177.7(2) . 10_556
O18 Zn5 Zn7 O19 -101.7(2) . 10_556
Zn6 Zn5 Zn7 O19 -143.32(13) . 10_556
O21 Zn5 Zn7 O19 -7.5(2) . .
O20 Zn5 Zn7 O19 -108.1(2) 10_556 .
O2 Zn5 Zn7 O19 76.9(3) . .
O18 Zn5 Zn7 O19 152.9(2) . .
Zn6 Zn5 Zn7 O19 111.23(15) . .
O21 Zn5 Zn7 O2 -84.4(3) . .
O20 Zn5 Zn7 O2 175.0(3) 10_556 .
O18 Zn5 Zn7 O2 76.0(3) . .
Zn6 Zn5 Zn7 O2 34.4(2) . .
O21 Zn5 Zn7 O15 -160.0(2) . .
O20 Zn5 Zn7 O15 99.4(2) 10_556 .
O2 Zn5 Zn7 O15 -75.7(3) . .
O18 Zn5 Zn7 O15 0.4(2) . .
Zn6 Zn5 Zn7 O15 -41.28(15) . .
O21 Zn5 Zn7 Zn5 -49.10(18) . 10_556
O20 Zn5 Zn7 Zn5 -149.70(18) 10_556 10_556
O2 Zn5 Zn7 Zn5 35.3(2) . 10_556
O18 Zn5 Zn7 Zn5 111.30(18) . 10_556
Zn6 Zn5 Zn7 Zn5 69.65(2) . 10_556
O6 Zn4 O1 Zn1 -3.0(2) . .
O14 Zn4 O1 Zn1 118.3(2) . .
O7 Zn4 O1 Zn1 -121.6(2) . .
Zn2 Zn4 O1 Zn1 -120.1(2) . .
O6 Zn4 O1 Zn3 -121.9(2) . .
O14 Zn4 O1 Zn3 -0.6(2) . .
O7 Zn4 O1 Zn3 119.5(2) . .
Zn2 Zn4 O1 Zn3 121.0(2) . .
Zn1 Zn4 O1 Zn3 -118.9(2) . .
O6 Zn4 O1 Zn2 117.1(2) . .
O14 Zn4 O1 Zn2 -121.6(2) . .
O7 Zn4 O1 Zn2 -1.5(2) . .
Zn1 Zn4 O1 Zn2 120.1(2) . .
O12 Zn1 O1 Zn4 -116.7(2) . .
O5 Zn1 O1 Zn4 1.9(2) . .
O4 Zn1 O1 Zn4 120.91(17) . .
Zn3 Zn1 O1 Zn4 -119.4(2) . .
O12 Zn1 O1 Zn3 2.7(2) . .
O5 Zn1 O1 Zn3 121.34(19) . .
O4 Zn1 O1 Zn3 -119.69(17) . .
Zn4 Zn1 O1 Zn3 119.4(2) . .
O12 Zn1 O1 Zn2 124.3(2) . .
O5 Zn1 O1 Zn2 -117.1(2) . .
O4 Zn1 O1 Zn2 1.9(2) . .
Zn4 Zn1 O1 Zn2 -119.0(2) . .
Zn3 Zn1 O1 Zn2 121.6(2) . .
O10 Zn3 O1 Zn4 -122.3(2) . .
O11 Zn3 O1 Zn4 120.07(19) . .
O13 Zn3 O1 Zn4 -0.1(2) . .
Zn1 Zn3 O1 Zn4 119.3(2) . .
O10 Zn3 O1 Zn1 118.46(19) . .
O11 Zn3 O1 Zn1 0.8(2) . .
O13 Zn3 O1 Zn1 -119.35(17) . .
O10 Zn3 O1 Zn2 -2.7(2) . .
O11 Zn3 O1 Zn2 -120.40(19) . .
O13 Zn3 O1 Zn2 119.47(18) . .
Zn1 Zn3 O1 Zn2 -121.2(2) . .
O8 Zn2 O1 Zn4 1.7(2) . .
O3 Zn2 O1 Zn4 -119.29(17) . .
O9 Zn2 O1 Zn4 121.11(18) . .
O8 Zn2 O1 Zn1 121.3(2) . .
O3 Zn2 O1 Zn1 0.2(2) . .
O9 Zn2 O1 Zn1 -119.36(18) . .
Zn4 Zn2 O1 Zn1 119.5(2) . .
O8 Zn2 O1 Zn3 -118.4(2) . .
O3 Zn2 O1 Zn3 120.55(17) . .
O9 Zn2 O1 Zn3 0.9(2) . .
Zn4 Zn2 O1 Zn3 -120.2(2) . .
O16 Zn6 O2 Zn7 0.0 . .
O17 Zn6 O2 Zn7 -121.90(16) 10_556 .
O17 Zn6 O2 Zn7 121.91(16) . .
Zn5 Zn6 O2 Zn7 120.13(15) . .
Zn5 Zn6 O2 Zn7 -120.12(15) 10_556 .
O16 Zn6 O2 Zn5 -120.13(15) . .
O17 Zn6 O2 Zn5 117.97(19) 10_556 .
O17 Zn6 O2 Zn5 1.8(2) . .
Zn5 Zn6 O2 Zn5 119.7(3) 10_556 .
O16 Zn6 O2 Zn5 120.12(15) . 10_556
O17 Zn6 O2 Zn5 -1.8(2) 10_556 10_556
O17 Zn6 O2 Zn5 -117.97(19) . 10_556
Zn5 Zn6 O2 Zn5 -119.7(3) . 10_556
O19 Zn7 O2 Zn6 -117.48(15) 10_556 .
O19 Zn7 O2 Zn6 117.47(15) . .
O15 Zn7 O2 Zn6 0.0 . .
Zn5 Zn7 O2 Zn6 119.91(17) 10_556 .
Zn5 Zn7 O2 Zn6 -119.91(17) . .
O19 Zn7 O2 Zn5 2.4(3) 10_556 .
O19 Zn7 O2 Zn5 -122.62(18) . .
O15 Zn7 O2 Zn5 119.91(17) . .
Zn5 Zn7 O2 Zn5 -120.2(3) 10_556 .
O19 Zn7 O2 Zn5 122.62(18) 10_556 10_556
O19 Zn7 O2 Zn5 -2.4(3) . 10_556
O15 Zn7 O2 Zn5 -119.91(17) . 10_556
Zn5 Zn7 O2 Zn5 120.2(3) . 10_556
O21 Zn5 O2 Zn6 -126.0(2) . .
O20 Zn5 O2 Zn6 117.0(2) 10_556 .
O18 Zn5 O2 Zn6 -3.1(3) . .
Zn7 Zn5 O2 Zn6 122.0(3) . .
O21 Zn5 O2 Zn7 112.0(2) . .
O20 Zn5 O2 Zn7 -5.0(3) 10_556 .
O18 Zn5 O2 Zn7 -125.1(2) . .
Zn6 Zn5 O2 Zn7 -122.0(3) . .
O21 Zn5 O2 Zn5 -7.4(3) . 10_556
O20 Zn5 O2 Zn5 -124.4(2) 10_556 10_556
O18 Zn5 O2 Zn5 115.6(2) . 10_556
Zn6 Zn5 O2 Zn5 118.7(3) . 10_556
Zn7 Zn5 O2 Zn5 -119.3(3) . 10_556
O8 Zn2 O3 C1 -128.7(5) . .
O1 Zn2 O3 C1 -5.7(6) . .
O9 Zn2 O3 C1 115.0(6) . .
Zn4 Zn2 O3 C1 -43.7(6) . .
O12 Zn1 O4 C1 -124.7(6) . .
O1 Zn1 O4 C1 -0.7(6) . .
O5 Zn1 O4 C1 119.6(6) . .
Zn4 Zn1 O4 C1 36.4(6) . .
Zn3 Zn1 O4 C1 -38.4(6) . .
O12 Zn1 O5 C14 120.2(7) . .
O1 Zn1 O5 C14 -1.6(7) . .
O4 Zn1 O5 C14 -122.5(7) . .
Zn4 Zn1 O5 C14 -0.5(6) . .
Zn3 Zn1 O5 C14 35.5(7) . .
O14 Zn4 O6 C14 -118.2(7) . .
O1 Zn4 O6 C14 4.8(8) . .
O7 Zn4 O6 C14 127.0(7) . .
Zn2 Zn4 O6 C14 43.9(8) . .
Zn1 Zn4 O6 C14 3.0(7) . .
O6 Zn4 O7 C40 -122.8(7) . .
O14 Zn4 O7 C40 122.0(7) . .
O1 Zn4 O7 C40 -0.1(7) . .
Zn2 Zn4 O7 C40 -1.0(6) . .
Zn1 Zn4 O7 C40 -37.5(7) . .
O3 Zn2 O8 C40 122.7(6) . .
O1 Zn2 O8 C40 -0.6(7) . .
O9 Zn2 O8 C40 -121.1(6) . .
Zn4 Zn2 O8 C40 0.5(6) . .
O8 Zn2 O9 C21 124.5(6) . .
O3 Zn2 O9 C21 -119.1(6) . .
O1 Zn2 O9 C21 2.9(7) . .
Zn4 Zn2 O9 C21 39.8(7) . .
O1 Zn3 O10 C21 3.0(7) . .
O11 Zn3 O10 C21 122.9(7) . .
O13 Zn3 O10 C21 -119.3(7) . .
Zn1 Zn3 O10 C21 39.9(8) . .
O10 Zn3 O11 C5 -122.0(7) . .
O1 Zn3 O11 C5 -3.3(7) . .
O13 Zn3 O11 C5 118.5(6) . .
Zn1 Zn3 O11 C5 -2.8(6) . .
O1 Zn1 O12 C5 -7.7(7) . .
O5 Zn1 O12 C5 -128.2(7) . .
O4 Zn1 O12 C5 115.5(7) . .
Zn4 Zn1 O12 C5 -45.9(7) . .
Zn3 Zn1 O12 C5 -6.1(6) . .
O10 Zn3 O13 C53 123.3(6) . .
O1 Zn3 O13 C53 2.1(6) . .
O11 Zn3 O13 C53 -119.5(6) . .
Zn1 Zn3 O13 C53 -35.5(7) . .
O6 Zn4 O14 C53 123.9(8) . .
O1 Zn4 O14 C53 -0.1(8) . .
O7 Zn4 O14 C53 -122.6(7) . .
Zn2 Zn4 O14 C53 -37.9(8) . .
Zn1 Zn4 O14 C53 37.5(8) . .
O19 Zn7 O15 C71 121.09(14) 10_556 .
O19 Zn7 O15 C71 -121.08(14) . .
O2 Zn7 O15 C71 0.0 . .
Zn5 Zn7 O15 C71 -36.26(8) 10_556 .
Zn5 Zn7 O15 C71 36.25(8) . .
O2 Zn6 O16 C71 0.0 . .
O17 Zn6 O16 C71 122.46(16) 10_556 .
O17 Zn6 O16 C71 -122.47(16) . .
Zn5 Zn6 O16 C71 -37.50(9) . .
Zn5 Zn6 O16 C71 37.50(9) 10_556 .
O2 Zn6 O17 C48 1.2(7) . .
O16 Zn6 O17 C48 123.3(6) . .
O17 Zn6 O17 C48 -118.5(6) 10_556 .
Zn5 Zn6 O17 C48 2.3(6) . .
Zn5 Zn6 O17 C48 -36.8(7) 10_556 .
O21 Zn5 O18 C48 126.0(6) . .
O20 Zn5 O18 C48 -118.6(6) 10_556 .
O2 Zn5 O18 C48 2.4(7) . .
Zn6 Zn5 O18 C48 0.5(6) . .
Zn7 Zn5 O18 C48 -35.9(7) . .
O19 Zn7 O19 C47 -133.2(6) 10_556 .
O2 Zn7 O19 C47 -6.8(7) . .
O15 Zn7 O19 C47 111.0(6) . .
Zn5 Zn7 O19 C47 -8.3(6) 10_556 .
Zn5 Zn7 O19 C47 -44.7(7) . .
O20 Zn5 O21 C54 122.8(9) 10_556 .
O2 Zn5 O21 C54 4.5(9) . .
O18 Zn5 O21 C54 -121.6(9) . .
Zn6 Zn5 O21 C54 -31.7(10) . .
Zn7 Zn5 O21 C54 42.6(9) . .
Zn2 O3 C1 O4 8.5(11) . .
Zn2 O3 C1 C2 -175.0(4) . .
Zn1 O4 C1 O3 -5.0(11) . .
Zn1 O4 C1 C2 178.3(4) . .
O3 C1 C2 C4A -178.3(5) . .
O4 C1 C2 C4A -1.2(9) . .
O3 C1 C2 S1A 2.0(9) . .
O4 C1 C2 S1A 179.0(5) . .
C3 C4A C2 C1 -179.6(6) 7_666 .
C3 C4A C2 S1A 0.2(5) 7_666 .
C3 S1A C2 C1 177.1(6) . .
C3 S1A C2 C4A -2.7(5) . .
C2 S1A C3 C3 4.6(8) . 7_666
C2 S1A C3 S1B 178.6(5) . 7_666
C2 S1A C3 C4A 178.6(5) . 7_666
Zn3 O11 C5 O12 -0.2(11) . .
Zn3 O11 C5 C6 -178.5(5) . .
Zn1 O12 C5 O11 6.5(12) . .
Zn1 O12 C5 C6 -175.3(5) . .
O11 C5 C6 C7 168.4(9) . .
O12 C5 C6 C7 -9.9(13) . .
O11 C5 C6 C11 -9.0(13) . .
O12 C5 C6 C11 172.7(10) . .
C11 C6 C7 C8 -7.2(18) . .
C5 C6 C7 C8 175.5(10) . .
C6 C7 C8 C9 12(2) . .
C7 C8 C9 C10 -12(2) . .
C7 C8 C9 C12 176.1(11) . .
C8 C9 C10 C11 7.6(18) . .
C12 C9 C10 C11 179.6(10) . .
C7 C6 C11 C10 3.2(19) . .
C5 C6 C11 C10 -179.5(10) . .
C9 C10 C11 C6 -3.3(19) . .
C10 C9 C12 C13 24.4(16) . .
C8 C9 C12 C13 -163.9(12) . .
C10 C9 C12 C13 -153.0(12) . 3_655
C8 C9 C12 C13 18.8(16) . 3_655
C13 C12 C13 C12 -8(2) 3_655 5_665
C9 C12 C13 C12 175.0(7) . 5_665
Zn4 O6 C14 O5 -4.6(14) . .
Zn4 O6 C14 C15 176.7(6) . .
Zn1 O5 C14 O6 2.8(13) . .
Zn1 O5 C14 C15 -178.4(5) . .
O6 C14 C15 C16 7.1(14) . .
O5 C14 C15 C16 -171.7(9) . .
O6 C14 C15 C20 -168.2(10) . .
O5 C14 C15 C20 13.0(13) . .
C20 C15 C16 C17 0.6(18) . .
C14 C15 C16 C17 -174.4(9) . .
C15 C16 C17 C18 -1.1(17) . .
C16 C17 C18 C19 0(2) . .
C16 C17 C18 C61 -179.7(11) . .
C17 C18 C19 C20 2(2) . .
C61 C18 C19 C20 -178.8(12) . .
C16 C15 C20 C19 1.1(19) . .
C14 C15 C20 C19 176.0(10) . .
C18 C19 C20 C15 -2.0(19) . .
Zn3 O10 C21 O9 0.4(12) . .
Zn3 O10 C21 C22 177.5(5) . .
Zn2 O9 C21 O10 -3.8(11) . .
Zn2 O9 C21 C22 179.1(5) . .
O10 C21 C22 C23 -168.9(9) . .
O9 C21 C22 C23 8.2(13) . .
O10 C21 C22 C27 17.2(12) . .
O9 C21 C22 C27 -165.6(8) . .
C27 C22 C23 C24 -3.2(16) . .
C21 C22 C23 C24 -176.9(10) . .
C22 C23 C24 C25 -3(2) . .
C23 C24 C25 C26 9.3(18) . .
C23 C24 C25 C28 -176.6(12) . .
C24 C25 C26 C27 -11.2(18) . .
C28 C25 C26 C27 174.8(12) . .
C23 C22 C27 C26 1.5(16) . .
C21 C22 C27 C26 175.8(9) . .
C25 C26 C27 C22 6.2(19) . .
C24 C25 C28 C29 -24.3(19) . .
C26 C25 C28 C29 149.0(12) . .
C24 C25 C28 C33 154.4(12) . .
C26 C25 C28 C33 -32.4(17) . .
C25 C28 C29 C30 -178.0(11) . .
C33 C28 C29 C30 3.4(18) . .
C28 C29 C30 C31 -2.6(18) . .
C28 C29 C30 C41 -177.3(11) . .
C29 C30 C31 C32 2.8(18) . .
C41 C30 C31 C32 177.5(10) . .
C30 C31 C32 C33 -4.0(17) . .
C30 C31 C32 C34 178.7(11) . .
C31 C32 C33 C28 4.8(18) . .
C34 C32 C33 C28 -177.8(11) . .
C29 C28 C33 C32 -4.6(18) . .
C25 C28 C33 C32 176.7(11) . .
C33 C32 C34 C39 164.8(13) . .
C31 C32 C34 C39 -17.8(19) . .
C33 C32 C34 C35 -18.4(19) . .
C31 C32 C34 C35 159.1(13) . .
C39 C34 C35 C36 -9(2) . .
C32 C34 C35 C36 173.6(13) . .
C34 C35 C36 C37 12(2) . .
C35 C36 C37 C38 -7(2) . .
C35 C36 C37 C40 175.4(12) . 11_656
C36 C37 C38 C39 1.0(18) . .
C40 C37 C38 C39 178.0(10) 11_656 .
C35 C34 C39 C38 3(2) . .
C32 C34 C39 C38 -179.9(12) . .
C37 C38 C39 C34 1(2) . .
Zn4 O7 C40 O8 1.8(12) . .
Zn4 O7 C40 C37 -178.0(5) . 9_566
Zn2 O8 C40 O7 -1.4(12) . .
Zn2 O8 C40 C37 178.4(5) . 9_566
C29 C30 C41 C46 -14(2) . .
C31 C30 C41 C46 170.8(15) . .
C29 C30 C41 C42 170.3(14) . .
C31 C30 C41 C42 -5(2) . .
C46 C41 C42 C43 1(2) . .
C30 C41 C42 C43 176.8(12) . .
C41 C42 C43 C44 1(2) . .
C42 C43 C44 C45 -8.8(18) . .
C42 C43 C44 C47 172.7(10) . .
C43 C44 C45 C46 14(2) . .
C47 C44 C45 C46 -167.1(14) . .
C42 C41 C46 C45 5(3) . .
C30 C41 C46 C45 -171.6(15) . .
C44 C45 C46 C41 -13(3) . .
Zn7 O19 C47 O20 12.7(12) . .
Zn7 O19 C47 C44 -175.5(5) . .
Zn5 O20 C47 O19 -8.3(14) 10_556 .
Zn5 O20 C47 C44 179.6(5) 10_556 .
C43 C44 C47 O19 12.3(13) . .
C45 C44 C47 O19 -166.1(11) . .
C43 C44 C47 O20 -175.0(10) . .
C45 C44 C47 O20 6.6(14) . .
Zn5 O18 C48 O17 0.9(12) . .
Zn5 O18 C48 C49 -177.2(4) . .
Zn6 O17 C48 O18 -2.9(12) . .
Zn6 O17 C48 C49 175.3(4) . .
O18 C48 C49 C72A -2.5(9) . .
O17 C48 C49 C72A 179.1(5) . .
O18 C48 C49 S2A 175.6(6) . .
O17 C48 C49 S2A -2.9(8) . .
C51 C72A C49 C48 178.8(6) . .
C51 C72A C49 S2A 0.9(6) . .
C50 S2A C49 C48 -178.4(6) . .
C50 S2A C49 C72A -0.5(6) . .
C52 C73A C50 C51 1.8(8) . .
C52 C73A C50 S2A 179.9(6) . .
C49 S2A C50 C51 -0.3(8) . .
C49 S2A C50 C73A -178.4(6) . .
C73A C50 C51 S3A -1.2(11) . .
S2A C50 C51 S3A -179.3(5) . .
C73A C50 C51 C72A 179.1(5) . .
S2A C50 C51 C72A 0.9(11) . .
C52 S3A C51 C50 -0.2(8) . .
C52 S3A C51 C72A 179.6(7) . .
C49 C72A C51 C50 -1.0(8) . .
C49 C72A C51 S3A 179.3(7) . .
C51 S3A C52 C53 -177.5(7) . 6_564
C51 S3A C52 C73A 1.5(6) . .
C50 C73A C52 C53 177.1(6) . 6_564
C50 C73A C52 S3A -1.9(6) . .
Zn4 O14 C53 O13 2.0(13) . .
Zn4 O14 C53 C52 180.0(5) . 2_655
Zn3 O13 C53 O14 -3.1(11) . .
Zn3 O13 C53 C52 178.9(4) . 2_655
Zn5 O21 C54 O21 -0.4(18) . 10_556
Zn5 O21 C54 C55 178.6(12) . .
O21 C54 C55 C56 9(3) . .
O21 C54 C55 C56 -172.1(18) 10_556 .
O21 C54 C55 C56 172.1(18) . 10_556
O21 C54 C55 C56 -9(3) 10_556 10_556
C56 C55 C56 C57 17(4) 10_556 .
C54 C55 C56 C57 -178.6(15) . .
C55 C56 C57 C58 -9(3) . .
C56 C57 C58 C57 -1(3) . 10_556
C56 C57 C58 C59 -171.2(16) . .
C57 C58 C59 C62 -16(3) . 4_664
C57 C58 C59 C62 174.2(18) 10_556 4_664
C57 C58 C59 C62 -174.2(18) . 7_666
C57 C58 C59 C62 16(3) 10_556 7_666
C61 C60 C61 C62 10(3) 10_557 .
C61 C60 C61 C18 -170.8(13) 10_557 .
C17 C18 C61 C62 143.8(15) . .
C19 C18 C61 C62 -36(2) . .
C17 C18 C61 C60 -35(2) . .
C19 C18 C61 C60 145.1(17) . .
C60 C61 C62 C59 -4(3) . 7_666
C18 C61 C62 C59 176.6(17) . 7_666
C68 C63 C64 C65 0.0 . .
C71 C63 C64 C65 180.0 . .
C63 C64 C65 C66 0.0 . .
C64 C65 C66 C67 0.0 . .
C64 C65 C66 C69 180.0 . .
C65 C66 C67 C68 0.0 . .
C69 C66 C67 C68 180.0 . .
C64 C63 C68 C67 0.0 . .
C71 C63 C68 C67 180.0 . .
C66 C67 C68 C63 0.0 . .
C67 C66 C69 C70 -180.0 . 8_676
C65 C66 C69 C70 0.0 . 8_676
C67 C66 C69 C70 0.0 . .
C65 C66 C69 C70 180.0 . .
C70 C69 C70 C69 0.0 8_676 3_765
C66 C69 C70 C69 -180.0 . 3_765
Zn6 O16 C71 O15 0.0 . .
Zn6 O16 C71 C63 180.0 . .
Zn7 O15 C71 O16 0.0 . .
Zn7 O15 C71 C63 180.0 . .
C64 C63 C71 O16 0.0 . .
C68 C63 C71 O16 180.0 . .
C64 C63 C71 O15 180.0 . .
C68 C63 C71 O15 0.0 . .
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 -0.005 -0.008 -0.001 67228 17537 ' '
