#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:15:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179036 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/34/4123443.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_4123443
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         'C216 H72 F12 N0 O52 Zn16'
_chemical_formula_sum            'C216 H72 F12 N0 O52 Zn16'
_chemical_formula_weight         4772.98
_chemical_name_common            MOF-177-H
_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            2
_cell_length_a                   37.1295(19)
_cell_length_b                   37.1295(19)
_cell_length_c                   30.0520(17)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      39.94
_cell_measurement_theta_min      3.12
_cell_volume                     35879(3)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            34015
_diffrn_reflns_theta_full        40.02
_diffrn_reflns_theta_max         40.02
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.8707
_exptl_absorpt_correction_T_min  0.8268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4744
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         7258
_refine_ls_number_restraints     889
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0859
_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          0.2579
_refine_ls_wR_factor_ref         0.2731
_reflns_number_gt                5125
_reflns_number_total             7258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512311a_si_007.cif
_cod_data_source_block           MOF-177-H
_cod_depositor_comments
'Adding full bibliography for 4123443--4123455.cif.'
_cod_database_code               4123443
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 0.6667 0.3333 0.19073(9) 0.0822(9) Uani 0.50 3 d SP . .
Zn2 Zn 0.18762(5) -0.11189(5) 0.27736(5) 0.0987(8) Uani 0.5372(13) 1 d PD . 1
Zn1 Zn 0.20610(5) -0.16329(5) 0.20583(5) 0.1036(8) Uani 0.5372(13) 1 d PD . 1
Zn1A Zn 0.22443(5) -0.14115(5) 0.26117(5) 0.0957(9) Uani 0.4628(13) 1 d PD . 2
Zn4 Zn 0.62342(5) 0.28021(5) 0.27816(5) 0.1046(7) Uani 0.50 1 d PD . .
Zn2A Zn 0.15604(6) -0.13884(6) 0.19833(6) 0.1124(10) Uani 0.4628(13) 1 d PD . 2
O2 O 0.6667 0.3333 0.2500 0.080(3) Uani 1 6 d S . .
O1 O 0.16603(7) -0.16603(7) 0.2500 0.0809(15) Uani 1 2 d S . .
O9A O 0.2386(10) -0.1844(8) 0.246(2) 0.161(14) Uani 0.4628(13) 1 d PDU . 2
C34 C 0.35479(10) -0.2904(2) 0.2500 0.147(4) Uani 1 2 d SDU . .
H34 H 0.3693 -0.2615 0.2500 0.176 Uiso 1 2 calc SR . .
O3 O 0.2466(4) -0.1074(3) 0.1900(5) 0.147(5) Uani 0.5372(13) 1 d PD . 1
O6 O 0.6166(3) 0.2902(3) 0.1656(4) 0.160(3) Uani 0.50 1 d P . 1
C29 C 0.24508(13) -0.24508(13) 0.2500 0.126(3) Uani 1 2 d SDU . .
C33 C 0.31188(10) -0.31188(10) 0.2500 0.144(4) Uani 1 2 d SDU B .
C32 C 0.28861(15) -0.28861(15) 0.2500 0.138(4) Uani 1 2 d SDU . .
C28 C 0.2224(2) -0.2224(2) 0.2500 0.123(4) Uani 1 2 d SDU . .
C2 C 0.2812(2) -0.03866(18) 0.1750(3) 0.167(3) Uani 1 1 d GDU . .
C3 C 0.3238(3) -0.0218(3) 0.1814(3) 0.170(3) Uani 0.441(4) 1 d PGDU A 1
C4 C 0.35171(17) 0.0140(3) 0.1586(3) 0.170(3) Uani 0.441(4) 1 d PGDU A 1
H4 H 0.3802 0.0253 0.1629 0.203 Uiso 0.441(4) 1 calc PR A 1
C5 C 0.33715(18) 0.03281(19) 0.1293(2) 0.172(3) Uani 1 1 d GDU A .
C6 C 0.2946(2) 0.0159(3) 0.1229(3) 0.170(3) Uani 0.441(4) 1 d PGDU A 1
H6 H 0.2849 0.0285 0.1033 0.203 Uiso 0.441(4) 1 calc PR A 1
C7 C 0.26668(16) -0.0198(3) 0.1457(3) 0.170(3) Uani 0.441(4) 1 d PGDU A 1
C39 C 0.04461(13) -0.04461(13) 0.2500 0.184(5) Uani 1 2 d SDU . .
C36 C 0.08891(14) -0.08891(14) 0.2500 0.193(5) Uani 1 2 d SDU . .
C21 C 0.3754(2) 0.1176(2) -0.01010(17) 0.174(4) Uani 1 1 d GDU . .
C22 C 0.3889(3) 0.15768(16) -0.0256(2) 0.180(3) Uani 0.484(5) 1 d PGDU . 1
H22 H 0.4041 0.1804 -0.0070 0.217 Uiso 0.484(5) 1 calc PR . 1
C23 C 0.3796(3) 0.16375(19) -0.0688(3) 0.180(3) Uani 0.484(5) 1 d PGDU . 1
C24 C 0.3568(2) 0.1298(3) -0.09646(17) 0.161(3) Uani 1 1 d GDU . .
C25 C 0.3433(3) 0.0898(2) -0.0810(2) 0.180(3) Uani 0.484(5) 1 d PGDU . 1
C26 C 0.3526(3) 0.08368(15) -0.0378(2) 0.180(3) Uani 0.484(5) 1 d PGDU . 1
H26 H 0.3436 0.0569 -0.0274 0.217 Uiso 0.484(5) 1 calc PR . 1
C14 C 0.47168(17) 0.1664(2) 0.1225(2) 0.179(4) Uani 1 1 d GDU . .
C15 C 0.4738(2) 0.1710(4) 0.1685(2) 0.193(4) Uani 0.362(6) 1 d PGDU . 1
H15 H 0.4506 0.1542 0.1859 0.232 Uiso 0.362(6) 1 calc PR . 1
C16 C 0.5105(3) 0.2007(4) 0.18852(18) 0.193(4) Uani 0.362(6) 1 d PGDU . 1
C17 C 0.5451(2) 0.2258(2) 0.1626(3) 0.169(3) Uani 1 1 d GDU . .
C18 C 0.5430(2) 0.2212(4) 0.1166(3) 0.193(4) Uani 0.362(6) 1 d PGDU . 1
C19 C 0.5063(3) 0.1915(4) 0.09654(17) 0.193(4) Uani 0.362(6) 1 d PGDU . 1
H19 H 0.5049 0.1885 0.0658 0.232 Uiso 0.362(6) 1 calc PR . 1
O8A O 0.3182(4) 0.1406(4) -0.1491(3) 0.148(2) Uani 0.4628(13) 1 d PD . 2
C30 C 0.2826(2) -0.2293(2) 0.2273(3) 0.139(3) Uani 0.754(8) 1 d PDU B 1
O4 O 0.2350(3) -0.0715(3) 0.2409(3) 0.166(6) Uani 0.5372(13) 1 d PD . 1
C41 C 0.0428(2) 0.02138(10) 0.2500 0.182(5) Uani 1 2 d SDU . .
H41 H 0.0717 0.0358 0.2500 0.219 Uiso 1 2 calc SR C .
C40 C 0.02139(10) -0.02139(10) 0.2500 0.179(5) Uani 1 2 d SDU C .
O8 O 0.3197(4) 0.1104(3) -0.1624(3) 0.148(2) Uani 0.5372(13) 1 d PD . 1
C8 C 0.36753(16) 0.07066(15) 0.10437(17) 0.166(3) Uani 1 1 d GDU . .
C13 C 0.35831(15) 0.07645(16) 0.06104(18) 0.172(4) Uani 1 1 d GU A .
H13 H 0.3336 0.0567 0.0478 0.206 Uiso 1 1 calc R . .
C12 C 0.38602(19) 0.11179(18) 0.03747(13) 0.168(3) Uani 1 1 d GDU A .
C11 C 0.42295(17) 0.14135(15) 0.05723(17) 0.185(4) Uani 1 1 d GU A .
H11 H 0.4415 0.1650 0.0415 0.222 Uiso 1 1 calc R . .
C10 C 0.43216(15) 0.13557(16) 0.10056(17) 0.171(4) Uani 1 1 d GDU A .
C9 C 0.40446(18) 0.10023(18) 0.12413(13) 0.180(4) Uani 1 1 d GU A .
H9 H 0.4106 0.0964 0.1531 0.215 Uiso 1 1 calc R . .
O3A O 0.2605(3) -0.0944(5) 0.2234(5) 0.130(5) Uani 0.4628(13) 1 d PD . 2
O7 O 0.3656(3) 0.1770(3) -0.1530(3) 0.148(2) Uani 0.5372(13) 1 d PD . 1
O7A O 0.3682(4) 0.1307(3) -0.1763(3) 0.148(2) Uani 0.4628(13) 1 d PD . 2
C35 C 0.1122(3) -0.1122(3) 0.2500 0.228(8) Uani 1 2 d SDU . .
C31 C 0.3042(2) -0.2508(2) 0.2278(3) 0.139(3) Uani 0.754(8) 1 d PDU B 1
H31 H 0.3295 -0.2398 0.2130 0.166 Uiso 0.754(8) 1 calc PR B 1
C18A C 0.5236(4) 0.2382(3) 0.1339(4) 0.193(4) Uani 0.638(6) 1 d PDU . 2
C16A C 0.5289(4) 0.1837(4) 0.1706(4) 0.193(4) Uani 0.638(6) 1 d PDU . 2
O4A O 0.2116(3) -0.0936(4) 0.1818(4) 0.159(5) Uani 0.4628(13) 1 d PD . 2
C7A C 0.2885(4) -0.0401(4) 0.1313(4) 0.170(3) Uani 0.559(4) 1 d PDU A 2
C15A C 0.4927(4) 0.1540(3) 0.1510(4) 0.193(4) Uani 0.638(6) 1 d PDU . 2
H15A H 0.4824 0.1259 0.1568 0.232 Uiso 0.638(6) 1 calc PR . 2
C38 C 0.0813(3) -0.0306(3) 0.2754(4) 0.187(3) Uani 0.645(7) 1 d PDU C 1
H38 H 0.0910 -0.0065 0.2924 0.225 Uiso 0.645(7) 1 calc PR C 1
C37 C 0.1035(3) -0.0522(3) 0.2756(4) 0.187(3) Uani 0.645(7) 1 d PDU C 1
C6A C 0.3157(4) -0.0042(4) 0.1080(4) 0.170(3) Uani 0.559(4) 1 d PDU A 2
H6A H 0.3192 -0.0057 0.0775 0.203 Uiso 0.559(4) 1 calc PR A 2
O6A O 0.5819(3) 0.2939(3) 0.1911(3) 0.160(3) Uani 0.50 1 d P . 2
C26A C 0.3348(4) 0.1065(3) -0.0217(4) 0.180(3) Uani 0.516(5) 1 d PDU . 2
H26A H 0.3141 0.0967 -0.0001 0.217 Uiso 0.516(5) 1 calc PR . 2
C25A C 0.3253(4) 0.1103(4) -0.0656(4) 0.180(3) Uani 0.516(5) 1 d PDU . 2
C3A C 0.3001(4) -0.0003(4) 0.1992(4) 0.170(3) Uani 0.559(4) 1 d PDU A 2
C4A C 0.3270(4) 0.0362(4) 0.1749(4) 0.170(3) Uani 0.559(4) 1 d PDU A 2
H4A H 0.3382 0.0622 0.1884 0.203 Uiso 0.559(4) 1 calc PR A 2
C22A C 0.4058(4) 0.1309(4) -0.0433(4) 0.180(3) Uani 0.516(5) 1 d PDU . 2
H22A H 0.4326 0.1368 -0.0362 0.217 Uiso 0.516(5) 1 calc PR . 2
C23A C 0.3960(4) 0.1353(5) -0.0875(4) 0.180(3) Uani 0.516(5) 1 d PDU . 2
C19A C 0.4862(4) 0.2083(3) 0.1145(4) 0.193(4) Uani 0.638(6) 1 d PDU . 2
H19A H 0.4713 0.2164 0.0963 0.232 Uiso 0.638(6) 1 calc PR . 2
C27 C 0.3501(3) 0.1379(3) -0.1430(4) 0.174(4) Uani 1 1 d DU . .
C1 C 0.2489(4) -0.0736(4) 0.2010(4) 0.174(5) Uani 1 1 d DU . .
O5A O 0.6036(3) 0.2440(4) 0.2017(5) 0.160(3) Uani 0.50 1 d P . 2
O9 O 0.2375(9) -0.1901(7) 0.2275(19) 0.161(14) Uani 0.5372(13) 1 d PDU . 1
O10A O 0.1279(5) -0.1116(5) 0.2112(5) 0.200(4) Uani 0.4628(13) 1 d PD . 2
O5 O 0.5907(4) 0.2535(4) 0.2267(3) 0.160(3) Uani 0.50 1 d P . 1
C20 C 0.5838(4) 0.2579(3) 0.1835(3) 0.177(4) Uani 1 1 d DU . .
C30A C 0.2854(4) -0.2260(5) 0.2677(8) 0.139(3) Uani 0.246(8) 1 d PDU B 2
C37A C 0.1006(5) -0.0546(4) 0.2206(6) 0.187(3) Uani 0.355(7) 1 d PDU C 2
O10 O 0.1479(3) -0.0955(4) 0.2728(5) 0.200(4) Uani 0.5372(13) 1 d PD . 1
C38A C 0.0794(4) -0.0318(4) 0.2216(5) 0.187(3) Uani 0.355(7) 1 d PDU C 2
H38A H 0.0883 -0.0084 0.2037 0.225 Uiso 0.355(7) 1 calc PR C 2
C31A C 0.3075(5) -0.2480(4) 0.2676(8) 0.139(3) Uani 0.246(8) 1 d PDU B 2
H31A H 0.3344 -0.2356 0.2791 0.166 Uiso 0.246(8) 1 calc PR B 2
F3 F 0.2977(10) 0.0101(12) 0.2439(8) 0.303(14) Uani 0.1398(11) 1 d PD A 2
F13 F 0.3024(9) -0.1920(8) 0.2038(10) 0.290(17) Uani 0.189(2) 1 d PD B 1
F8 F 0.5324(12) 0.2779(8) 0.1208(12) 0.309(15) Uani 0.1595(16) 1 d PD . 2
F10 F 0.3209(8) 0.0544(11) -0.1077(13) 0.343(17) Uani 0.1211(12) 1 d PD . 1
F1 F 0.3384(17) -0.0405(12) 0.2115(8) 0.303(14) Uani 0.1102(11) 1 d PD A 1
F7 F 0.5448(9) 0.1641(10) 0.1977(8) 0.309(15) Uani 0.1595(16) 1 d PD . 2
F15 F 0.1384(8) -0.0325(11) 0.3030(10) 0.38(3) Uani 0.1612(17) 1 d PD C 1
F11 F 0.4304(11) 0.1519(15) -0.1169(13) 0.343(17) Uani 0.1289(12) 1 d PD . 2
F6 F 0.5766(12) 0.2431(15) 0.0876(16) 0.309(15) Uani 0.0905(16) 1 d PD . 1
F12 F 0.2828(8) 0.0973(13) -0.0703(15) 0.343(17) Uani 0.1289(12) 1 d PD . 2
F16 F 0.1345(12) -0.0336(16) 0.1908(14) 0.38(3) Uani 0.0888(17) 1 d PD C 2
F14 F 0.305(2) -0.1857(10) 0.2863(18) 0.290(17) Uani 0.061(2) 1 d PD B 2
F2 F 0.2271(9) -0.0309(15) 0.1298(16) 0.303(14) Uani 0.1102(11) 1 d PD A 1
F9 F 0.3941(15) 0.2066(8) -0.0755(16) 0.343(17) Uani 0.1211(12) 1 d PD . 1
F5 F 0.507(2) 0.200(2) 0.248(2) 0.309(15) Uani 0.0905(16) 1 d P . .
F4 F 0.2644(17) -0.0714(13) 0.0892(15) 0.303(14) Uani 0.1398(11) 1 d P 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'
F F 0.0727 0.0534 '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 O6 113.4(4) . 2_655
O2 Zn3 O6 113.4(4) . .
O6 Zn3 O6 105.2(4) 2_655 .
O2 Zn3 O6 113.4(4) . 3_665
O6 Zn3 O6 105.2(4) 2_655 3_665
O6 Zn3 O6 105.2(4) . 3_665
O10 Zn2 O1 108.9(4) . .
O10 Zn2 O8 116.0(6) . 12_556
O1 Zn2 O8 111.7(3) . 12_556
O10 Zn2 O4 105.1(6) . .
O1 Zn2 O4 107.6(4) . .
O8 Zn2 O4 107.0(5) 12_556 .
O7 Zn1 O3 105.9(6) 8 .
O7 Zn1 O1 108.3(3) 8 .
O3 Zn1 O1 112.9(4) . .
O7 Zn1 O9 111.1(16) 8 .
O3 Zn1 O9 106.6(8) . .
O1 Zn1 O9 111.9(11) . .
O1 Zn1A O7A 112.2(4) . 12_556
O1 Zn1A O3A 115.9(4) . .
O7A Zn1A O3A 113.5(6) 12_556 .
O1 Zn1A O9A 105.3(14) . .
O7A Zn1A O9A 104(2) 12_556 .
O3A Zn1A O9A 104.1(10) . .
O5A Zn4 O5 104.3(4) 6_655 .
O5A Zn4 O6A 122.5(5) 6_655 5
O5 Zn4 O6A 96.7(5) . 5
O5A Zn4 O2 117.2(4) 6_655 .
O5 Zn4 O2 99.1(4) . .
O6A Zn4 O2 111.1(3) 5 .
O5A Zn4 O5 29.1(5) 6_655 6_655
O5 Zn4 O5 96.2(6) . 6_655
O6A Zn4 O5 151.5(4) 5 6_655
O2 Zn4 O5 91.7(3) . 6_655
O5A Zn4 O6 50.4(5) 6_655 6_655
O5 Zn4 O6 153.2(5) . 6_655
O6A Zn4 O6 104.7(5) 5 6_655
O2 Zn4 O6 88.1(3) . 6_655
O5 Zn4 O6 57.6(4) 6_655 6_655
O5A Zn4 O6 117.6(5) 6_655 5
O5 Zn4 O6 130.2(5) . 5
O6A Zn4 O6 38.6(4) 5 5
O2 Zn4 O6 85.2(2) . 5
O5 Zn4 O6 133.4(4) 6_655 5
O6 Zn4 O6 75.8(5) 6_655 5
O5A Zn4 O5A 91.4(6) 6_655 .
O5 Zn4 O5A 20.8(5) . .
O6A Zn4 O5A 117.5(5) 5 .
O2 Zn4 O5A 91.0(3) . .
O5 Zn4 O5A 77.3(4) 6_655 .
O6 Zn4 O5A 134.9(4) 6_655 .
O6 Zn4 O5A 149.0(4) 5 .
O10A Zn2A O8A 122.3(7) . 8
O10A Zn2A O4A 103.2(7) . .
O8A Zn2A O4A 103.6(6) 8 .
O10A Zn2A O1 114.9(5) . .
O8A Zn2A O1 106.3(4) 8 .
O4A Zn2A O1 104.4(4) . .
Zn3 O2 Zn3 180.0 6_655 .
Zn3 O2 Zn4 65.03(5) 6_655 2_655
Zn3 O2 Zn4 114.97(5) . 2_655
Zn3 O2 Zn4 114.97(5) 6_655 6_655
Zn3 O2 Zn4 65.03(5) . 6_655
Zn4 O2 Zn4 92.14(10) 2_655 6_655
Zn3 O2 Zn4 114.97(5) 6_655 4_665
Zn3 O2 Zn4 65.03(5) . 4_665
Zn4 O2 Zn4 63.09(10) 2_655 4_665
Zn4 O2 Zn4 103.46(6) 6_655 4_665
Zn3 O2 Zn4 65.03(5) 6_655 .
Zn3 O2 Zn4 114.97(5) . .
Zn4 O2 Zn4 103.46(6) 2_655 .
Zn4 O2 Zn4 63.09(10) 6_655 .
Zn4 O2 Zn4 161.77(10) 4_665 .
Zn3 O2 Zn4 65.03(5) 6_655 3_665
Zn3 O2 Zn4 114.97(5) . 3_665
Zn4 O2 Zn4 103.46(6) 2_655 3_665
Zn4 O2 Zn4 161.77(10) 6_655 3_665
Zn4 O2 Zn4 92.14(10) 4_665 3_665
Zn4 O2 Zn4 103.46(6) . 3_665
Zn3 O2 Zn4 114.97(5) 6_655 5
Zn3 O2 Zn4 65.03(5) . 5
Zn4 O2 Zn4 161.77(10) 2_655 5
Zn4 O2 Zn4 103.46(6) 6_655 5
Zn4 O2 Zn4 103.46(6) 4_665 5
Zn4 O2 Zn4 92.14(10) . 5
Zn4 O2 Zn4 63.09(10) 3_665 5
Zn1A O1 Zn1A 111.5(2) . 4
Zn1A O1 Zn2 69.11(7) . .
Zn1A O1 Zn2 164.87(7) 4 .
Zn1A O1 Zn2 164.87(7) . 4
Zn1A O1 Zn2 69.11(7) 4 4
Zn2 O1 Zn2 114.5(2) . 4
Zn1A O1 Zn1 56.36(10) . .
Zn1A O1 Zn1 82.17(15) 4 .
Zn2 O1 Zn1 108.94(6) . .
Zn2 O1 Zn1 109.77(6) 4 .
Zn1A O1 Zn1 82.17(15) . 4
Zn1A O1 Zn1 56.36(10) 4 4
Zn2 O1 Zn1 109.77(6) . 4
Zn2 O1 Zn1 108.94(6) 4 4
Zn1 O1 Zn1 104.4(2) . 4
Zn1A O1 Zn2A 109.38(7) . 4
Zn1A O1 Zn2A 110.26(7) 4 4
Zn2 O1 Zn2A 57.26(11) . 4
Zn2 O1 Zn2A 83.67(14) 4 4
Zn1 O1 Zn2A 164.69(7) . 4
Zn1 O1 Zn2A 76.92(7) 4 4
Zn1A O1 Zn2A 110.26(7) . .
Zn1A O1 Zn2A 109.38(7) 4 .
Zn2 O1 Zn2A 83.67(14) . .
Zn2 O1 Zn2A 57.26(11) 4 .
Zn1 O1 Zn2A 76.92(7) . .
Zn1 O1 Zn2A 164.69(7) 4 .
Zn2A O1 Zn2A 106.0(2) 4 .
C28 O9A Zn1A 136.7(17) . .
C33 C34 C33 120.0(5) . 6_655
C33 C34 H34 120.0 . .
C33 C34 H34 120.0 6_655 .
C1 O3 Zn1 129.8(10) . .
C20 O6 Zn3 132.2(9) . .
C20 O6 Zn4 86.2(7) . 6_655
Zn3 O6 Zn4 55.2(3) . 6_655
C20 O6 Zn4 97.1(8) . 5
Zn3 O6 Zn4 53.1(3) . 5
Zn4 O6 Zn4 79.7(3) 6_655 5
C30 C29 C30 119.7(8) 4 .
C30 C29 C30A 51.8(9) 4 4
C30 C29 C30A 97.5(8) . 4
C30 C29 C30A 97.5(8) 4 .
C30 C29 C30A 51.8(9) . .
C30A C29 C30A 121.7(10) 4 .
C30 C29 C28 120.1(4) 4 .
C30 C29 C28 120.1(4) . .
C30A C29 C28 119.1(5) 4 .
C30A C29 C28 119.1(5) . .
C34 C33 C34 120.0(5) 4 .
C34 C33 C32 120.0(2) 4 .
C34 C33 C32 120.0(2) . .
C31 C32 C31 118.3(8) 4 .
C31 C32 C31A 50.8(9) 4 4
C31 C32 C31A 97.1(8) . 4
C31 C32 C31A 97.1(8) 4 .
C31 C32 C31A 50.8(9) . .
C31A C32 C31A 120.6(10) 4 .
C31 C32 C33 120.9(4) 4 .
C31 C32 C33 120.9(4) . .
C31A C32 C33 119.7(5) 4 .
C31A C32 C33 119.7(5) . .
O9A C28 O9A 111(3) . 4
O9A C28 O9 113(2) . 4
O9A C28 O9 27(6) 4 4
O9A C28 O9 27(6) . .
O9A C28 O9 113(2) 4 .
O9 C28 O9 127.2(19) 4 .
O9A C28 C29 124.5(13) . .
O9A C28 C29 124.5(13) 4 .
O9 C28 C29 116.4(9) 4 .
O9 C28 C29 116.4(9) . .
C7A C2 C3 87.1(7) . .
C7A C2 C7 62.5(7) . .
C3 C2 C7 120.0 . .
C7A C2 C3A 121.7(7) . .
C3 C2 C3A 66.5(6) . .
C7 C2 C3A 86.6(6) . .
C7A C2 C1 124.9(9) . .
C3 C2 C1 124.4(7) . .
C7 C2 C1 115.3(7) . .
C3A C2 C1 112.6(8) . .
C2 C3 C4 120.0 . .
C2 C3 F1 120(2) . .
C4 C3 F1 120(2) . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6A C5 C4 88.1(6) . .
C6A C5 C6 61.2(6) . .
C4 C5 C6 120.0 . .
C6A C5 C4A 119.4(6) . .
C4 C5 C4A 68.0(6) . .
C6 C5 C4A 83.4(6) . .
C6A C5 C8 120.1(7) . .
C4 C5 C8 119.4(4) . .
C6 C5 C8 120.6(4) . .
C4A C5 C8 120.2(7) . .
C7 C6 C5 120.0 . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 120.0 . .
C6 C7 F2 107(2) . .
C2 C7 F2 133(2) . .
C38 C39 C38 118.1(9) 4 .
C38 C39 C38A 80.4(8) 4 .
C38 C39 C38A 69.7(8) . .
C38 C39 C38A 69.7(8) 4 4
C38 C39 C38A 80.4(8) . 4
C38A C39 C38A 120.2(10) . 4
C38 C39 C40 121.0(4) 4 .
C38 C39 C40 121.0(4) . .
C38A C39 C40 119.9(5) . .
C38A C39 C40 119.9(5) 4 .
C37 C36 C37 119.7(9) 4 .
C37 C36 C37A 71.3(8) 4 4
C37 C36 C37A 79.0(8) . 4
C37 C36 C37A 79.0(8) 4 .
C37 C36 C37A 71.3(8) . .
C37A C36 C37A 118.8(9) 4 .
C37 C36 C35 120.1(4) 4 .
C37 C36 C35 120.1(4) . .
C37A C36 C35 120.6(5) 4 .
C37A C36 C35 120.6(5) . .
C22 C21 C26 120.0 . .
C22 C21 C26A 89.5(5) . .
C26 C21 C26A 60.2(6) . .
C22 C21 C22A 65.8(6) . .
C26 C21 C22A 84.8(6) . .
C26A C21 C22A 119.3(7) . .
C22 C21 C12 119.0(4) . .
C26 C21 C12 121.0(4) . .
C26A C21 C12 120.7(7) . .
C22A C21 C12 119.8(7) . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 F9 131(2) . .
C22 C23 F9 109(2) . .
C25A C24 C23 92.6(6) . .
C25A C24 C25 57.0(7) . .
C23 C24 C25 120.0 . .
C25A C24 C23A 119.7(7) . .
C23 C24 C23A 68.5(7) . .
C25 C24 C23A 83.3(7) . .
C25A C24 C27 124.1(8) . .
C23 C24 C27 118.1(6) . .
C25 C24 C27 121.8(6) . .
C23A C24 C27 114.9(8) . .
C26 C25 C24 120.0 . .
C26 C25 F10 118(2) . .
C24 C25 F10 122(2) . .
C25 C26 C21 120.0 . .
C25 C26 H26 120.0 . .
C21 C26 H26 120.0 . .
C15A C14 C15 54.5(7) . .
C15A C14 C19 94.9(6) . .
C15 C14 C19 120.0 . .
C15A C14 C19A 120.8(6) . .
C15 C14 C19A 93.9(6) . .
C19 C14 C19A 55.9(7) . .
C15A C14 C10 121.4(7) . .
C15 C14 C10 120.5(4) . .
C19 C14 C10 119.5(4) . .
C19A C14 C10 117.8(7) . .
C16 C15 C14 120.0 . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 120.0 . .
C15 C16 F5 113(2) . .
C17 C16 F5 127(2) . .
C16A C17 C18 94.0(6) . .
C16A C17 C16 54.0(8) . .
C18 C17 C16 120.0 . .
C16A C17 C18A 118.8(7) . .
C18 C17 C18A 54.7(8) . .
C16 C17 C18A 94.5(7) . .
C16A C17 C20 122.2(8) . .
C18 C17 C20 119.7(7) . .
C16 C17 C20 120.3(7) . .
C18A C17 C20 119.0(8) . .
C19 C18 C17 120.0 . .
C19 C18 F6 115(2) . .
C17 C18 F6 125(2) . .
C18 C19 C14 120.0 . .
C18 C19 H19 120.0 . .
C14 C19 H19 120.0 . .
C27 O8A Zn2A 135.6(10) . 9
C31 C30 C29 119.9(6) . .
C31 C30 F13 114.0(14) . .
C29 C30 F13 126.1(14) . .
C1 O4 Zn2 133.1(9) . .
C40 C41 C40 120.0(5) . 2
C40 C41 H41 120.0 . .
C40 C41 H41 120.0 2 .
C41 C40 C41 120.0(5) 4 .
C41 C40 C39 120.0(2) 4 .
C41 C40 C39 120.0(2) . .
C27 O8 Zn2 128.3(8) . 12
C13 C8 C9 120.0 . .
C13 C8 C5 119.2(4) . .
C9 C8 C5 120.8(4) . .
C12 C13 C8 120.0 . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 C21 119.3(4) . .
C11 C12 C21 120.7(4) . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C9 C10 C11 120.0 . .
C9 C10 C14 118.7(4) . .
C11 C10 C14 121.3(4) . .
C10 C9 C8 120.0 . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C1 O3A Zn1A 124.8(9) . .
C27 O7 Zn1 134.3(8) . 9
C27 O7A Zn1A 128.6(9) . 12
O10A C35 O10A 136(2) 4 .
O10A C35 O10 62.6(9) 4 .
O10A C35 O10 96.8(12) . .
O10A C35 O10 96.8(12) 4 4
O10A C35 O10 62.6(9) . 4
O10 C35 O10 125.6(19) . 4
O10A C35 C36 112.0(10) 4 .
O10A C35 C36 112.0(10) . .
O10 C35 C36 117.2(10) . .
O10 C35 C36 117.2(10) 4 .
C30 C31 C32 121.1(6) . .
C30 C31 H31 119.4 . .
C32 C31 H31 119.4 . .
C19A C18A F8 109.6(17) . .
C19A C18A C17 119.9(8) . .
F8 C18A C17 130.5(17) . .
C15A C16A C17 121.9(8) . .
C15A C16A F7 109.2(17) . .
C17 C16A F7 128.9(17) . .
C1 O4A Zn2A 136.2(9) . .
C2 C7A C6A 121.1(9) . .
C2 C7A F4 136.7(18) . .
C6A C7A F4 99.7(16) . .
C16A C15A C14 119.1(8) . .
C16A C15A H15A 120.4 . .
C14 C15A H15A 120.4 . .
C37 C38 C39 121.4(6) . .
C37 C38 H38 119.3 . .
C39 C38 H38 119.3 . .
F15 C37 C38 111.0(17) . .
F15 C37 C36 129.3(18) . .
C38 C37 C36 119.7(6) . .
C5 C6A C7A 120.6(8) . .
C5 C6A H6A 119.7 . .
C7A C6A H6A 119.7 . .
C20 O6A Zn4 125.8(8) . 5
C25A C26A C21 119.9(9) . .
C25A C26A H26A 120.0 . .
C21 C26A H26A 120.0 . .
C24 C25A C26A 120.0(9) . .
C24 C25A F12 128(2) . .
C26A C25A F12 111(2) . .
F3 C3A C4A 109.7(19) . .
F3 C3A C2 133.5(19) . .
C4A C3A C2 116.8(8) . .
C3A C4A C5 119.6(8) . .
C3A C4A H4A 120.2 . .
C5 C4A H4A 120.2 . .
C21 C22A C23A 120.3(9) . .
C21 C22A H22A 119.9 . .
C23A C22A H22A 119.9 . .
C24 C23A C22A 118.4(9) . .
C24 C23A F11 126(2) . .
C22A C23A F11 114(2) . .
C14 C19A C18A 119.5(8) . .
C14 C19A H19A 120.2 . .
C18A C19A H19A 120.2 . .
O8 C27 O8A 58.8(8) . .
O8 C27 O7 121.7(11) . .
O8A C27 O7 77.5(9) . .
O8 C27 O7A 79.6(10) . .
O8A C27 O7A 120.6(12) . .
O7 C27 O7A 93.7(10) . .
O8 C27 C24 117.4(9) . .
O8A C27 C24 114.6(11) . .
O7 C27 C24 114.9(9) . .
O7A C27 C24 122.0(10) . .
O3A C1 O3 53.1(9) . .
O3A C1 O4 79.3(13) . .
O3 C1 O4 117.6(13) . .
O3A C1 O4A 118.0(13) . .
O3 C1 O4A 78.1(12) . .
O4 C1 O4A 95.6(12) . .
O3A C1 C2 116.7(11) . .
O3 C1 C2 111.0(11) . .
O4 C1 C2 126.7(11) . .
O4A C1 C2 115.0(10) . .
C20 O5A Zn4 119.3(10) . 6_655
C20 O5A Zn4 104.7(9) . .
Zn4 O5A Zn4 53.5(3) 6_655 .
C28 O9 Zn1 124.7(15) . .
C35 O10A Zn2A 123.9(14) . .
C20 O5 Zn4 145.8(9) . .
C20 O5 Zn4 97.0(9) . 6_655
Zn4 O5 Zn4 62.0(3) . 6_655
O5A C20 O6 95.2(13) . .
O5A C20 O5 47.6(8) . .
O6 C20 O5 110.9(11) . .
O5A C20 O6A 131.7(11) . .
O6 C20 O6A 70.2(8) . .
O5 C20 O6A 93.6(10) . .
O5A C20 C17 113.6(9) . .
O6 C20 C17 130.0(9) . .
O5 C20 C17 118.8(9) . .
O6A C20 C17 110.3(9) . .
C29 C30A F14 123(4) . .
C29 C30A C31A 119.2(7) . .
F14 C30A C31A 118(4) . .
C38A C37A F16 107(3) . .
C38A C37A C36 120.5(6) . .
F16 C37A C36 132(3) . .
C35 O10 Zn2 130.6(13) . .
C37A C38A C39 119.9(6) . .
C37A C38A H38A 120.1 . .
C39 C38A H38A 120.1 . .
C32 C31A C30A 119.6(7) . .
C32 C31A H31A 120.2 . .
C30A C31A H31A 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn3 O2 1.781(3) .
Zn3 O6 1.900(8) 2_655
Zn3 O6 1.900(8) .
Zn3 O6 1.900(8) 3_665
Zn3 Zn4 2.044(2) 6_655
Zn3 Zn4 2.044(2) 4_665
Zn3 Zn4 2.044(2) 5
Zn3 Zn4 3.195(3) 2_655
Zn3 Zn4 3.195(3) .
Zn3 Zn4 3.195(3) 3_665
Zn2 O10 1.861(9) .
Zn2 O1 1.936(3) .
Zn2 O8 1.969(9) 12_556
Zn2 O4 1.977(8) .
Zn2 Zn1 3.169(2) .
Zn2 Zn1 3.185(2) 4
Zn2 Zn2 3.257(3) 4
Zn1 O7 1.884(8) 8
Zn1 O3 1.916(9) .
Zn1 O1 1.958(3) .
Zn1 O9 1.98(2) .
Zn1 Zn1 3.094(3) 4
Zn1 Zn2 3.185(2) 4
Zn1A O1 1.914(3) .
Zn1A O7A 1.930(10) 12_556
Zn1A O3A 1.940(10) .
Zn1A O9A 1.98(2) .
Zn1A Zn1A 3.164(3) 4
Zn1A Zn2A 3.183(3) 4
Zn1A Zn2A 3.200(2) .
Zn4 O5A 1.850(10) 6_655
Zn4 O5 1.909(9) .
Zn4 O6A 1.940(8) 5
Zn4 O2 2.0045(17) .
Zn4 Zn3 2.044(2) 6_655
Zn4 Zn4 2.097(3) 6_655
Zn4 O5 2.143(12) 6_655
Zn4 O6 2.403(10) 6_655
Zn4 O6 2.509(11) 5
Zn4 O5A 2.578(12) .
Zn4 Zn4 2.887(3) 5
Zn4 Zn4 3.147(3) 2_655
Zn2A O10A 1.822(10) .
Zn2A O8A 1.939(11) 8
Zn2A O4A 1.965(10) .
Zn2A O1 1.985(3) .
Zn2A Zn2A 3.170(4) 4
Zn2A Zn1A 3.183(3) 4
O2 Zn3 1.781(3) 6_655
O2 Zn4 2.0045(17) 2_655
O2 Zn4 2.0045(17) 6_655
O2 Zn4 2.0045(17) 4_665
O2 Zn4 2.0045(17) 3_665
O2 Zn4 2.0045(17) 5
O1 Zn1A 1.914(3) 4
O1 Zn2 1.936(3) 4
O1 Zn1 1.958(3) 4
O1 Zn2A 1.985(3) 4
O9A C28 1.230(19) .
C34 C33 1.380(6) .
C34 C33 1.380(6) 6_655
C34 H34 0.9300 .
O3 C1 1.260(11) .
O6 C20 1.325(10) .
O6 Zn4 2.403(10) 6_655
O6 Zn4 2.509(11) 5
C29 C30 1.389(7) 4
C29 C30 1.389(7) .
C29 C30A 1.402(10) 4
C29 C30A 1.402(10) .
C29 C28 1.462(13) .
C33 C34 1.380(6) 4
C33 C32 1.496(10) .
C32 C31 1.393(7) 4
C32 C31 1.393(7) .
C32 C31A 1.411(10) 4
C32 C31A 1.411(10) .
C28 O9A 1.230(19) 4
C28 O9 1.237(19) 4
C28 O9 1.238(19) .
C2 C7A 1.348(10) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C2 C3A 1.432(11) .
C2 C1 1.475(12) .
C3 C4 1.3900 .
C3 F1 1.41(2) .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6A 1.357(10) .
C5 C6 1.3900 .
C5 C4A 1.444(10) .
C5 C8 1.491(6) .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 F2 1.40(2) .
C39 C38 1.414(8) 4
C39 C38 1.414(8) .
C39 C38A 1.417(9) .
C39 C38A 1.417(9) 4
C39 C40 1.493(10) .
C36 C37 1.416(8) 4
C36 C37 1.416(8) .
C36 C37A 1.429(9) 4
C36 C37A 1.429(9) .
C36 C35 1.498(19) .
C21 C22 1.3900 .
C21 C26 1.3900 .
C21 C26A 1.394(10) .
C21 C22A 1.400(11) .
C21 C12 1.528(5) .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 F9 1.42(2) .
C24 C25A 1.381(11) .
C24 C25 1.3900 .
C24 C23A 1.393(11) .
C24 C27 1.477(11) .
C25 C26 1.3900 .
C25 F10 1.40(2) .
C26 H26 0.9300 .
C14 C15A 1.384(9) .
C14 C15 1.3900 .
C14 C19 1.3900 .
C14 C19A 1.390(9) .
C14 C10 1.489(6) .
C15 C16 1.3900 .
C15 H15 0.9300 .
C16 C17 1.3900 .
C16 F5 1.78(8) .
C17 C16A 1.388(10) .
C17 C18 1.3900 .
C17 C18A 1.400(10) .
C17 C20 1.473(11) .
C18 C19 1.3900 .
C18 F6 1.40(2) .
C19 H19 0.9300 .
O8A C27 1.254(11) .
O8A Zn2A 1.939(11) 9
C30 C31 1.387(9) .
C30 F13 1.39(2) .
O4 C1 1.323(11) .
C41 C40 1.375(6) .
C41 C40 1.375(6) 2
C41 H41 0.9300 .
C40 C41 1.375(6) 4
O8 C27 1.227(10) .
O8 Zn2 1.969(9) 12
C8 C13 1.3900 .
C8 C9 1.3900 .
C13 C12 1.3900 .
C13 H13 0.9300 .
C12 C11 1.3900 .
C11 C10 1.3900 .
C11 H11 0.9300 .
C10 C9 1.3900 .
C9 H9 0.9300 .
O3A C1 1.253(12) .
O7 C27 1.305(9) .
O7 Zn1 1.884(8) 9
O7A C27 1.305(10) .
O7A Zn1A 1.930(10) 12
C35 O10A 1.299(12) 4
C35 O10A 1.299(12) .
C35 O10 1.337(11) .
C35 O10 1.337(11) 4
C31 H31 0.9300 .
C18A C19A 1.398(11) .
C18A F8 1.40(2) .
C16A C15A 1.374(11) .
C16A F7 1.40(2) .
O4A C1 1.333(12) .
C7A C6A 1.392(11) .
C7A F4 1.65(5) .
C15A H15A 0.9300 .
C38 C37 1.411(10) .
C38 H38 0.9300 .
C37 F15 1.39(2) .
C6A H6A 0.9300 .
O6A C20 1.394(10) .
O6A Zn4 1.940(8) 5
C26A C25A 1.388(12) .
C26A H26A 0.9300 .
C25A F12 1.41(2) .
C3A F3 1.41(2) .
C3A C4A 1.418(11) .
C4A H4A 0.9300 .
C22A C23A 1.408(12) .
C22A H22A 0.9300 .
C23A F11 1.41(2) .
C19A H19A 0.9300 .
O5A C20 1.217(11) .
O5A Zn4 1.850(10) 6_655
O5 C20 1.349(10) .
O5 Zn4 2.143(12) 6_655
C30A F14 1.41(2) .
C30A C31A 1.418(14) .
C37A C38A 1.416(13) .
C37A F16 1.42(2) .
C38A H38A 0.9300 .
C31A H31A 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
O6 Zn3 O2 Zn4 17.4(4) 2_655 2_655
O6 Zn3 O2 Zn4 137.4(4) . 2_655
O6 Zn3 O2 Zn4 -102.6(4) 3_665 2_655
O6 Zn3 O2 Zn4 -62.7(4) 2_655 6_655
O6 Zn3 O2 Zn4 57.3(4) . 6_655
O6 Zn3 O2 Zn4 177.3(4) 3_665 6_655
O6 Zn3 O2 Zn4 57.3(4) 2_655 4_665
O6 Zn3 O2 Zn4 177.3(4) . 4_665
O6 Zn3 O2 Zn4 -62.7(4) 3_665 4_665
O6 Zn3 O2 Zn4 -102.6(4) 2_655 .
O6 Zn3 O2 Zn4 17.4(4) . .
O6 Zn3 O2 Zn4 137.4(4) 3_665 .
O6 Zn3 O2 Zn4 137.4(4) 2_655 3_665
O6 Zn3 O2 Zn4 -102.6(4) . 3_665
O6 Zn3 O2 Zn4 17.4(4) 3_665 3_665
O6 Zn3 O2 Zn4 177.3(4) 2_655 5
O6 Zn3 O2 Zn4 -62.7(4) . 5
O6 Zn3 O2 Zn4 57.3(4) 3_665 5
O5A Zn4 O2 Zn3 -80.4(5) 6_655 6_655
O5 Zn4 O2 Zn3 168.3(4) . 6_655
O6A Zn4 O2 Zn3 67.4(4) 5 6_655
O5 Zn4 O2 Zn3 -95.1(3) 6_655 6_655
O6 Zn4 O2 Zn3 -37.6(3) 6_655 6_655
O6 Zn4 O2 Zn3 38.3(3) 5 6_655
O5A Zn4 O2 Zn3 -172.5(3) . 6_655
O5A Zn4 O2 Zn3 99.6(5) 6_655 .
O5 Zn4 O2 Zn3 -11.7(4) . .
O6A Zn4 O2 Zn3 -112.6(4) 5 .
O5 Zn4 O2 Zn3 84.9(3) 6_655 .
O6 Zn4 O2 Zn3 142.4(3) 6_655 .
O6 Zn4 O2 Zn3 -141.7(3) 5 .
O5A Zn4 O2 Zn3 7.5(3) . .
O7A Zn1A O1 Zn1A -102.7(4) 12_556 4
O3A Zn1A O1 Zn1A 124.7(6) . 4
O9A Zn1A O1 Zn1A 10.2(17) . 4
O7A Zn1A O1 Zn2 61.0(4) 12_556 .
O3A Zn1A O1 Zn2 -71.5(6) . .
O9A Zn1A O1 Zn2 174.0(17) . .
O7A Zn1A O1 Zn2 168.0(8) 12_556 4
O3A Zn1A O1 Zn2 35.5(11) . 4
O9A Zn1A O1 Zn2 -79.0(19) . 4
O7A Zn1A O1 Zn1 -166.8(4) 12_556 .
O3A Zn1A O1 Zn1 60.6(6) . .
O9A Zn1A O1 Zn1 -53.8(17) . .
O7A Zn1A O1 Zn1 -53.7(4) 12_556 4
O3A Zn1A O1 Zn1 173.8(6) . 4
O9A Zn1A O1 Zn1 59.3(17) . 4
O7A Zn1A O1 Zn2A 19.4(4) 12_556 4
O3A Zn1A O1 Zn2A -113.1(6) . 4
O9A Zn1A O1 Zn2A 132.4(17) . 4
O7A Zn1A O1 Zn2A 135.6(4) 12_556 .
O3A Zn1A O1 Zn2A 3.0(6) . .
O9A Zn1A O1 Zn2A -111.5(17) . .
O10 Zn2 O1 Zn1A 167.3(5) . .
O8 Zn2 O1 Zn1A -63.3(4) 12_556 .
O4 Zn2 O1 Zn1A 53.9(4) . .
O10 Zn2 O1 Zn1A -97.5(9) . 4
O8 Zn2 O1 Zn1A 31.9(10) 12_556 4
O4 Zn2 O1 Zn1A 149.0(9) . 4
O10 Zn2 O1 Zn2 3.3(5) . 4
O8 Zn2 O1 Zn2 132.7(4) 12_556 4
O4 Zn2 O1 Zn2 -110.2(4) . 4
O10 Zn2 O1 Zn1 126.6(5) . .
O8 Zn2 O1 Zn1 -104.0(4) 12_556 .
O4 Zn2 O1 Zn1 13.2(4) . .
O10 Zn2 O1 Zn1 -119.7(5) . 4
O8 Zn2 O1 Zn1 9.8(4) 12_556 4
O4 Zn2 O1 Zn1 126.9(4) . 4
O10 Zn2 O1 Zn2A -60.8(5) . 4
O8 Zn2 O1 Zn2A 68.6(4) 12_556 4
O4 Zn2 O1 Zn2A -174.2(4) . 4
O10 Zn2 O1 Zn2A 52.8(5) . .
O8 Zn2 O1 Zn2A -177.8(4) 12_556 .
O4 Zn2 O1 Zn2A -60.6(4) . .
O7 Zn1 O1 Zn1A -179.8(3) 8 .
O3 Zn1 O1 Zn1A -62.9(6) . .
O9 Zn1 O1 Zn1A 57.4(14) . .
O7 Zn1 O1 Zn1A 57.8(4) 8 4
O3 Zn1 O1 Zn1A 174.7(6) . 4
O9 Zn1 O1 Zn1A -65.0(14) . 4
O7 Zn1 O1 Zn2 -132.7(3) 8 .
O3 Zn1 O1 Zn2 -15.9(6) . .
O9 Zn1 O1 Zn2 104.5(14) . .
O7 Zn1 O1 Zn2 -6.6(4) 8 4
O3 Zn1 O1 Zn2 110.3(6) . 4
O9 Zn1 O1 Zn2 -129.4(14) . 4
O7 Zn1 O1 Zn2A -156.9(8) 8 4
O3 Zn1 O1 Zn2A -40.1(10) . 4
O9 Zn1 O1 Zn2A 80.2(16) . 4
O7 Zn1 O1 Zn2A -54.2(3) 8 .
O3 Zn1 O1 Zn2A 62.6(6) . .
O9 Zn1 O1 Zn2A -177.0(14) . .
O10A Zn2A O1 Zn1A -116.1(6) . .
O8A Zn2A O1 Zn1A 105.3(4) 8 .
O4A Zn2A O1 Zn1A -3.9(5) . .
O10A Zn2A O1 Zn1A 121.0(6) . 4
O8A Zn2A O1 Zn1A -17.6(4) 8 4
O4A Zn2A O1 Zn1A -126.8(5) . 4
O10A Zn2A O1 Zn2 -51.1(6) . .
O8A Zn2A O1 Zn2 170.3(4) 8 .
O4A Zn2A O1 Zn2 61.1(5) . .
O10A Zn2A O1 Zn2 73.5(6) . 4
O8A Zn2A O1 Zn2 -65.1(4) 8 4
O4A Zn2A O1 Zn2 -174.3(5) . 4
O10A Zn2A O1 Zn1 -162.3(6) . .
O8A Zn2A O1 Zn1 59.1(4) 8 .
O4A Zn2A O1 Zn1 -50.1(5) . .
O10A Zn2A O1 Zn1 100.9(10) . 4
O8A Zn2A O1 Zn1 -37.7(9) 8 4
O4A Zn2A O1 Zn1 -146.8(9) . 4
O1 Zn1A O9A C28 -39(7) . .
O7A Zn1A O9A C28 79(7) 12_556 .
O3A Zn1A O9A C28 -161(6) . .
O7 Zn1 O3 C1 112.3(19) 8 .
O1 Zn1 O3 C1 -6(2) . .
O9 Zn1 O3 C1 -129(3) . .
O2 Zn3 O6 C20 -8.1(14) . .
O6 Zn3 O6 C20 116.4(15) 2_655 .
O6 Zn3 O6 C20 -132.7(14) 3_665 .
O2 Zn3 O6 Zn4 -50.8(2) . 6_655
O6 Zn3 O6 Zn4 73.8(5) 2_655 6_655
O6 Zn3 O6 Zn4 -175.3(4) 3_665 6_655
O2 Zn3 O6 Zn4 53.6(2) . 5
O6 Zn3 O6 Zn4 178.2(4) 2_655 5
O6 Zn3 O6 Zn4 -70.9(5) 3_665 5
C33 C34 C33 C34 0.0 6_655 4
C33 C34 C33 C32 180.0 6_655 .
C34 C33 C32 C31 34.0(5) 4 4
C34 C33 C32 C31 -146.0(5) . 4
C34 C33 C32 C31 -146.0(5) 4 .
C34 C33 C32 C31 34.0(5) . .
C34 C33 C32 C31A -25.6(12) 4 4
C34 C33 C32 C31A 154.4(12) . 4
C34 C33 C32 C31A 154.4(12) 4 .
C34 C33 C32 C31A -25.6(12) . .
Zn1A O9A C28 O9A 23(4) . 4
Zn1A O9A C28 O9 -6(10) . 4
Zn1A O9A C28 O9 122(11) . .
Zn1A O9A C28 C29 -157(4) . .
C30 C29 C28 O9A 153(4) 4 .
C30 C29 C28 O9A -27(4) . .
C30A C29 C28 O9A -147(4) 4 .
C30A C29 C28 O9A 33(4) . .
C30 C29 C28 O9A -27(4) 4 4
C30 C29 C28 O9A 153(4) . 4
C30A C29 C28 O9A 33(4) 4 4
C30A C29 C28 O9A -147(4) . 4
C30 C29 C28 O9 3(3) 4 4
C30 C29 C28 O9 -177(3) . 4
C30A C29 C28 O9 63(3) 4 4
C30A C29 C28 O9 -117(3) . 4
C30 C29 C28 O9 -177(3) 4 .
C30 C29 C28 O9 3(3) . .
C30A C29 C28 O9 -117(3) 4 .
C30A C29 C28 O9 63(3) . .
C7A C2 C3 C4 55.7(6) . .
C7 C2 C3 C4 0.0 . .
C3A C2 C3 C4 -70.9(5) . .
C1 C2 C3 C4 -173.0(9) . .
C7A C2 C3 F1 -125.2(9) . .
C7 C2 C3 F1 179.1(8) . .
C3A C2 C3 F1 108.2(9) . .
C1 C2 C3 F1 6.1(12) . .
C2 C3 C4 C5 0.0 . .
F1 C3 C4 C5 -179.1(8) . .
C3 C4 C5 C6A -54.9(5) . .
C3 C4 C5 C6 0.0 . .
C3 C4 C5 C4A 67.9(5) . .
C3 C4 C5 C8 -178.8(6) . .
C6A C5 C6 C7 68.9(5) . .
C4 C5 C6 C7 0.0 . .
C4A C5 C6 C7 -59.9(5) . .
C8 C5 C6 C7 178.8(7) . .
C5 C6 C7 C2 0.0 . .
C5 C6 C7 F2 -175(2) . .
C7A C2 C7 C6 -68.5(6) . .
C3 C2 C7 C6 0.0 . .
C3A C2 C7 C6 60.2(5) . .
C1 C2 C7 C6 173.6(8) . .
C7A C2 C7 F2 105(3) . .
C3 C2 C7 F2 174(3) . .
C3A C2 C7 F2 -126(3) . .
C1 C2 C7 F2 -12(3) . .
C26 C21 C22 C23 0.0 . .
C26A C21 C22 C23 -54.6(5) . .
C22A C21 C22 C23 68.0(5) . .
C12 C21 C22 C23 180.0(7) . .
C21 C22 C23 C24 0.0 . .
C21 C22 C23 F9 176(2) . .
C22 C23 C24 C25A 52.9(6) . .
F9 C23 C24 C25A -122(3) . .
C22 C23 C24 C25 0.0 . .
F9 C23 C24 C25 -175(3) . .
C22 C23 C24 C23A -68.2(5) . .
F9 C23 C24 C23A 117(3) . .
C22 C23 C24 C27 -175.8(8) . .
F9 C23 C24 C27 9(3) . .
C25A C24 C25 C26 -71.8(6) . .
C23 C24 C25 C26 0.0 . .
C23A C24 C25 C26 60.4(6) . .
C27 C24 C25 C26 175.7(8) . .
C25A C24 C25 F10 109.5(11) . .
C23 C24 C25 F10 -178.7(9) . .
C23A C24 C25 F10 -118.3(11) . .
C27 C24 C25 F10 -3.1(12) . .
C24 C25 C26 C21 0.0 . .
F10 C25 C26 C21 178.8(9) . .
C22 C21 C26 C25 0.0 . .
C26A C21 C26 C25 70.0(5) . .
C22A C21 C26 C25 -58.2(5) . .
C12 C21 C26 C25 -180.0(7) . .
C15A C14 C15 C16 73.0(5) . .
C19 C14 C15 C16 0.0 . .
C19A C14 C15 C16 -52.5(6) . .
C10 C14 C15 C16 -178.1(7) . .
C14 C15 C16 C17 0.0 . .
C14 C15 C16 F5 -178(4) . .
C15 C16 C17 C16A -71.3(5) . .
F5 C16 C17 C16A 106(4) . .
C15 C16 C17 C18 0.0 . .
F5 C16 C17 C18 178(4) . .
C15 C16 C17 C18A 51.4(6) . .
F5 C16 C17 C18A -131(4) . .
C15 C16 C17 C20 178.9(8) . .
F5 C16 C17 C20 -3(4) . .
C16A C17 C18 C19 50.2(6) . .
C16 C17 C18 C19 0.0 . .
C18A C17 C18 C19 -72.7(6) . .
C20 C17 C18 C19 -178.9(8) . .
C16A C17 C18 F6 -126(3) . .
C16 C17 C18 F6 -176(3) . .
C18A C17 C18 F6 111(3) . .
C20 C17 C18 F6 5(3) . .
C17 C18 C19 C14 0.0 . .
F6 C18 C19 C14 176(2) . .
C15A C14 C19 C18 -51.4(6) . .
C15 C14 C19 C18 0.0 . .
C19A C14 C19 C18 72.9(5) . .
C10 C14 C19 C18 178.2(6) . .
C30 C29 C30 C31 -0.5(5) 4 .
C30A C29 C30 C31 -50.5(10) 4 .
C30A C29 C30 C31 74.4(9) . .
C28 C29 C30 C31 179.5(5) . .
C30 C29 C30 F13 -179.1(18) 4 .
C30A C29 C30 F13 131.0(19) 4 .
C30A C29 C30 F13 -104.1(19) . .
C28 C29 C30 F13 0.9(18) . .
O10 Zn2 O4 C1 -104.1(16) . .
O1 Zn2 O4 C1 11.8(16) . .
O8 Zn2 O4 C1 132.0(14) 12_556 .
C40 C41 C40 C41 0.0 2 4
C40 C41 C40 C39 180.0 2 .
C38 C39 C40 C41 39.1(5) 4 4
C38 C39 C40 C41 -140.9(5) . 4
C38A C39 C40 C41 136.0(9) . 4
C38A C39 C40 C41 -44.0(9) 4 4
C38 C39 C40 C41 -140.9(5) 4 .
C38 C39 C40 C41 39.1(5) . .
C38A C39 C40 C41 -44.0(9) . .
C38A C39 C40 C41 136.0(9) 4 .
C6A C5 C8 C13 37.9(9) . .
C4 C5 C8 C13 144.4(6) . .
C6 C5 C8 C13 -34.4(8) . .
C4A C5 C8 C13 -135.3(8) . .
C6A C5 C8 C9 -142.9(8) . .
C4 C5 C8 C9 -36.4(7) . .
C6 C5 C8 C9 144.8(6) . .
C4A C5 C8 C9 43.9(9) . .
C9 C8 C13 C12 0.0 . .
C5 C8 C13 C12 179.2(5) . .
C8 C13 C12 C11 0.0 . .
C8 C13 C12 C21 -180.0(5) . .
C22 C21 C12 C13 147.6(6) . .
C26 C21 C12 C13 -32.5(8) . .
C26A C21 C12 C13 39.1(7) . .
C22A C21 C12 C13 -135.3(8) . .
C22 C21 C12 C11 -32.4(8) . .
C26 C21 C12 C11 147.6(6) . .
C26A C21 C12 C11 -140.9(6) . .
C22A C21 C12 C11 44.7(9) . .
C13 C12 C11 C10 0.0 . .
C21 C12 C11 C10 180.0(5) . .
C12 C11 C10 C9 0.0 . .
C12 C11 C10 C14 179.3(6) . .
C15A C14 C10 C9 36.1(9) . .
C15 C14 C10 C9 -28.4(10) . .
C19 C14 C10 C9 153.4(8) . .
C19A C14 C10 C9 -142.0(8) . .
C15A C14 C10 C11 -143.2(8) . .
C15 C14 C10 C11 152.3(8) . .
C19 C14 C10 C11 -25.9(9) . .
C19A C14 C10 C11 38.7(9) . .
C11 C10 C9 C8 0.0 . .
C14 C10 C9 C8 -179.3(6) . .
C13 C8 C9 C10 0.0 . .
C5 C8 C9 C10 -179.2(5) . .
O1 Zn1A O3A C1 18(2) . .
O7A Zn1A O3A C1 -113.6(17) 12_556 .
O9A Zn1A O3A C1 134(3) . .
C37 C36 C35 O10A -114.4(10) 4 4
C37 C36 C35 O10A 65.6(10) . 4
C37A C36 C35 O10A -29.4(13) 4 4
C37A C36 C35 O10A 150.6(13) . 4
C37 C36 C35 O10A 65.6(10) 4 .
C37 C36 C35 O10A -114.4(10) . .
C37A C36 C35 O10A 150.6(13) 4 .
C37A C36 C35 O10A -29.4(13) . .
C37 C36 C35 O10 176.1(9) 4 .
C37 C36 C35 O10 -3.9(9) . .
C37A C36 C35 O10 -98.9(12) 4 .
C37A C36 C35 O10 81.1(12) . .
C37 C36 C35 O10 -3.9(9) 4 4
C37 C36 C35 O10 176.1(9) . 4
C37A C36 C35 O10 81.1(12) 4 4
C37A C36 C35 O10 -98.9(12) . 4
C29 C30 C31 C32 1.1(10) . .
F13 C30 C31 C32 179.8(15) . .
C31 C32 C31 C30 -0.5(5) 4 .
C31A C32 C31 C30 48.5(10) 4 .
C31A C32 C31 C30 -75.7(10) . .
C33 C32 C31 C30 179.5(5) . .
C16A C17 C18A C19A 0.8(19) . .
C18 C17 C18A C19A 73.8(12) . .
C16 C17 C18A C19A -50.1(13) . .
C20 C17 C18A C19A -178.5(11) . .
C16A C17 C18A F8 179(3) . .
C18 C17 C18A F8 -108(3) . .
C16 C17 C18A F8 128(3) . .
C20 C17 C18A F8 0(3) . .
C18 C17 C16A C15A -51.0(13) . .
C16 C17 C16A C15A 73.7(12) . .
C18A C17 C16A C15A 0.5(18) . .
C20 C17 C16A C15A 179.8(11) . .
C18 C17 C16A F7 128.5(10) . .
C16 C17 C16A F7 -106.8(10) . .
C18A C17 C16A F7 -180.0(12) . .
C20 C17 C16A F7 -0.7(14) . .
O10A Zn2A O4A C1 103.6(18) . .
O8A Zn2A O4A C1 -128.0(17) 8 .
O1 Zn2A O4A C1 -16.8(18) . .
C3 C2 C7A C6A -57.9(13) . .
C7 C2 C7A C6A 68.3(13) . .
C3A C2 C7A C6A 2.0(19) . .
C1 C2 C7A C6A 171.2(12) . .
C3 C2 C7A F4 144(3) . .
C7 C2 C7A F4 -90(3) . .
C3A C2 C7A F4 -156(3) . .
C1 C2 C7A F4 13(4) . .
C17 C16A C15A C14 -0.2(18) . .
F7 C16A C15A C14 -179.7(11) . .
C15 C14 C15A C16A -72.5(11) . .
C19 C14 C15A C16A 51.3(11) . .
C19A C14 C15A C16A -1.6(15) . .
C10 C14 C15A C16A -179.6(9) . .
C38 C39 C38 C37 0.1(6) 4 .
C38A C39 C38 C37 -66.5(9) . .
C38A C39 C38 C37 60.8(9) 4 .
C40 C39 C38 C37 -179.9(6) . .
C39 C38 C37 F15 -180.0(12) . .
C39 C38 C37 C36 -0.1(13) . .
C37 C36 C37 F15 179.9(19) 4 .
C37A C36 C37 F15 119.0(19) 4 .
C37A C36 C37 F15 -115.2(19) . .
C35 C36 C37 F15 -0.1(19) . .
C37 C36 C37 C38 0.0(6) 4 .
C37A C36 C37 C38 -60.8(9) 4 .
C37A C36 C37 C38 64.9(9) . .
C35 C36 C37 C38 -180.0(6) . .
C4 C5 C6A C7A 54.2(13) . .
C6 C5 C6A C7A -71.9(12) . .
C4A C5 C6A C7A -9.2(17) . .
C8 C5 C6A C7A 177.5(10) . .
C2 C7A C6A C5 3(2) . .
F4 C7A C6A C5 168(2) . .
C22 C21 C26A C25A 59.1(7) . .
C26 C21 C26A C25A -66.5(7) . .
C22A C21 C26A C25A -2.6(11) . .
C12 C21 C26A C25A -177.0(7) . .
C23 C24 C25A C26A -48.7(10) . .
C25 C24 C25A C26A 75.8(9) . .
C23A C24 C25A C26A 17.9(16) . .
C27 C24 C25A C26A -175.6(9) . .
C23 C24 C25A F12 122(3) . .
C25 C24 C25A F12 -114(3) . .
C23A C24 C25A F12 -171(3) . .
C27 C24 C25A F12 -5(3) . .
C21 C26A C25A C24 -8.2(12) . .
C21 C26A C25A F12 180(2) . .
C7A C2 C3A F3 179.2(14) . .
C3 C2 C3A F3 -110.4(11) . .
C7 C2 C3A F3 124.7(11) . .
C1 C2 C3A F3 8.7(13) . .
C7A C2 C3A C4A -0.5(17) . .
C3 C2 C3A C4A 70.0(11) . .
C7 C2 C3A C4A -55.0(11) . .
C1 C2 C3A C4A -171.0(11) . .
F3 C3A C4A C5 174.6(12) . .
C2 C3A C4A C5 -5.6(17) . .
C6A C5 C4A C3A 10.6(16) . .
C4 C5 C4A C3A -64.0(11) . .
C6 C5 C4A C3A 62.2(11) . .
C8 C5 C4A C3A -176.2(9) . .
C22 C21 C22A C23A -70.9(13) . .
C26 C21 C22A C23A 55.3(13) . .
C26A C21 C22A C23A 3.8(17) . .
C12 C21 C22A C23A 178.3(11) . .
C25A C24 C23A C22A -16.4(19) . .
C23 C24 C23A C22A 63.9(13) . .
C25 C24 C23A C22A -62.1(13) . .
C27 C24 C23A C22A 175.9(12) . .
C25A C24 C23A F11 175(3) . .
C23 C24 C23A F11 -105(3) . .
C25 C24 C23A F11 129(3) . .
C27 C24 C23A F11 7(3) . .
C21 C22A C23A C24 6(2) . .
C21 C22A C23A F11 175(3) . .
C15A C14 C19A C18A 2.9(16) . .
C15 C14 C19A C18A 53.3(12) . .
C19 C14 C19A C18A -70.6(12) . .
C10 C14 C19A C18A -179.0(10) . .
F8 C18A C19A C14 179(2) . .
C17 C18A C19A C14 -2.5(19) . .
Zn2 O8 C27 O8A 72.3(13) 12 .
Zn2 O8 C27 O7 25(2) 12 .
Zn2 O8 C27 O7A -63.3(13) 12 .
Zn2 O8 C27 C24 175.8(8) 12 .
Zn2A O8A C27 O8 -79.4(15) 9 .
Zn2A O8A C27 O7 60.3(15) 9 .
Zn2A O8A C27 O7A -26(2) 9 .
Zn2A O8A C27 C24 172.2(9) 9 .
Zn1 O7 C27 O8 -32(2) 9 .
Zn1 O7 C27 O8A -72.1(13) 9 .
Zn1 O7 C27 O7A 48.4(14) 9 .
Zn1 O7 C27 C24 176.4(8) 9 .
Zn1A O7A C27 O8 66.8(12) 12 .
Zn1A O7A C27 O8A 22.9(18) 12 .
Zn1A O7A C27 O7 -54.7(13) 12 .
Zn1A O7A C27 C24 -177.2(7) 12 .
C25A C24 C27 O8 -40.4(17) . .
C23 C24 C27 O8 -155.4(11) . .
C25 C24 C27 O8 28.8(15) . .
C23A C24 C27 O8 126.7(14) . .
C25A C24 C27 O8A 25.7(16) . .
C23 C24 C27 O8A -89.2(12) . .
C25 C24 C27 O8A 95.0(12) . .
C23A C24 C27 O8A -167.1(12) . .
C25A C24 C27 O7 112.8(13) . .
C23 C24 C27 O7 -2.2(13) . .
C25 C24 C27 O7 -178.0(9) . .
C23A C24 C27 O7 -80.1(14) . .
C25A C24 C27 O7A -135.3(12) . .
C23 C24 C27 O7A 109.7(11) . .
C25 C24 C27 O7A -66.1(13) . .
C23A C24 C27 O7A 31.8(15) . .
Zn1A O3A C1 O3 -84.1(16) . .
Zn1A O3A C1 O4 53.0(16) . .
Zn1A O3A C1 O4A -38(2) . .
Zn1A O3A C1 C2 178.8(8) . .
Zn1 O3 C1 O3A 81.2(17) . .
Zn1 O3 C1 O4 32(3) . .
Zn1 O3 C1 O4A -58.0(18) . .
Zn1 O3 C1 C2 -170.5(10) . .
Zn2 O4 C1 O3A -74.5(16) . .
Zn2 O4 C1 O3 -37(2) . .
Zn2 O4 C1 O4A 43.0(17) . .
Zn2 O4 C1 C2 170.0(9) . .
Zn2A O4A C1 O3A 40(2) . .
Zn2A O4A C1 O3 76.6(17) . .
Zn2A O4A C1 O4 -41(2) . .
Zn2A O4A C1 C2 -175.6(11) . .
C7A C2 C1 O3A 98.4(19) . .
C3 C2 C1 O3A -15.4(19) . .
C7 C2 C1 O3A 171.3(14) . .
C3A C2 C1 O3A -91.5(17) . .
C7A C2 C1 O3 40(2) . .
C3 C2 C1 O3 -73.6(17) . .
C7 C2 C1 O3 113.1(14) . .
C3A C2 C1 O3 -149.7(15) . .
C7A C2 C1 O4 -165.0(14) . .
C3 C2 C1 O4 81.3(16) . .
C7 C2 C1 O4 -92.0(15) . .
C3A C2 C1 O4 5.1(17) . .
C7A C2 C1 O4A -46.2(18) . .
C3 C2 C1 O4A -159.9(11) . .
C7 C2 C1 O4A 26.8(15) . .
C3A C2 C1 O4A 123.9(13) . .
O5A Zn4 O5A C20 168.0(11) 6_655 .
O5 Zn4 O5A C20 38.9(12) . .
O6A Zn4 O5A C20 39.8(11) 5 .
O2 Zn4 O5A C20 -74.7(10) . .
O5 Zn4 O5A C20 -166.3(11) 6_655 .
O6 Zn4 O5A C20 -163.0(9) 6_655 .
O6 Zn4 O5A C20 7.5(15) 5 .
O9A C28 O9 Zn1 -86(3) . .
O9A C28 O9 Zn1 6(8) 4 .
O9 C28 O9 Zn1 -20(2) 4 .
C29 C28 O9 Zn1 160(2) . .
O7 Zn1 O9 C28 -83(4) 8 .
O3 Zn1 O9 C28 162(4) . .
O1 Zn1 O9 C28 38(5) . .
O10A C35 O10A Zn2A 3.1(8) 4 .
O10 C35 O10A Zn2A 60.1(15) . .
O10 C35 O10A Zn2A -66.6(12) 4 .
C36 C35 O10A Zn2A -176.9(8) . .
O8A Zn2A O10A C35 125.8(12) 8 .
O4A Zn2A O10A C35 -118.5(12) . .
O1 Zn2A O10A C35 -5.5(15) . .
O5A Zn4 O5 C20 -130(2) 6_655 .
O6A Zn4 O5 C20 104(2) 5 .
O2 Zn4 O5 C20 -9(2) . .
O5 Zn4 O5 C20 -102(2) 6_655 .
O6 Zn4 O5 C20 -113(2) 6_655 .
O6 Zn4 O5 C20 82(2) 5 .
O5A Zn4 O5 C20 -77(2) . .
Zn4 O5A C20 O6 32.2(14) 6_655 .
Zn4 O5A C20 O6 88.4(9) . .
Zn4 O5A C20 O5 -81.4(12) 6_655 .
Zn4 O5A C20 O5 -25.3(8) . .
Zn4 O5A C20 O6A -36(2) 6_655 .
Zn4 O5A C20 O6A 20.4(18) . .
Zn4 O5A C20 C17 170.4(7) 6_655 .
Zn4 O5A C20 C17 -133.5(7) . .
Zn3 O6 C20 O5A -54.9(15) . .
Zn4 O6 C20 O5A -21.0(9) 6_655 .
Zn4 O6 C20 O5A -100.1(9) 5 .
Zn3 O6 C20 O5 -8.5(19) . .
Zn4 O6 C20 O5 25.4(11) 6_655 .
Zn4 O6 C20 O5 -53.7(12) 5 .
Zn3 O6 C20 O6A 77.7(12) . .
Zn4 O6 C20 O6A 111.6(6) 6_655 .
Zn4 O6 C20 O6A 32.5(6) 5 .
Zn3 O6 C20 C17 178.1(8) . .
Zn4 O6 C20 C17 -148.1(11) 6_655 .
Zn4 O6 C20 C17 132.9(10) 5 .
Zn4 O5 C20 O5A 97(2) . .
Zn4 O5 C20 O5A 48.6(9) 6_655 .
Zn4 O5 C20 O6 20(3) . .
Zn4 O5 C20 O6 -28.9(12) 6_655 .
Zn4 O5 C20 O6A -50(2) . .
Zn4 O5 C20 O6A -99.1(8) 6_655 .
Zn4 O5 C20 C17 -166.0(13) . .
Zn4 O5 C20 C17 145.4(8) 6_655 .
Zn4 O6A C20 O5A 21(2) 5 .
Zn4 O6A C20 O6 -58.3(10) 5 .
Zn4 O6A C20 O5 52.6(12) 5 .
Zn4 O6A C20 C17 175.2(7) 5 .
C16A C17 C20 O5A 12.2(17) . .
C18 C17 C20 O5A -104.8(13) . .
C16 C17 C20 O5A 76.3(15) . .
C18A C17 C20 O5A -168.5(13) . .
C16A C17 C20 O6 132.0(14) . .
C18 C17 C20 O6 14.9(17) . .
C16 C17 C20 O6 -163.9(13) . .
C18A C17 C20 O6 -48.7(18) . .
C16A C17 C20 O5 -41.0(17) . .
C18 C17 C20 O5 -158.1(12) . .
C16 C17 C20 O5 23.1(16) . .
C18A C17 C20 O5 138.3(14) . .
C16A C17 C20 O6A -147.3(11) . .
C18 C17 C20 O6A 95.7(12) . .
C16 C17 C20 O6A -83.2(12) . .
C18A C17 C20 O6A 32.0(14) . .
C30 C29 C30A F14 -129.9(14) 4 .
C30 C29 C30A F14 107.9(15) . .
C30A C29 C30A F14 -179.1(13) 4 .
C28 C29 C30A F14 0.9(13) . .
C30 C29 C30A C31A 49.4(11) 4 .
C30 C29 C30A C31A -72.8(11) . .
C30A C29 C30A C31A 0.2(7) 4 .
C28 C29 C30A C31A -179.8(7) . .
C37 C36 C37A C38A 63.4(13) 4 .
C37 C36 C37A C38A -63.4(13) . .
C37A C36 C37A C38A 2.0(10) 4 .
C35 C36 C37A C38A -178.0(10) . .
C37 C36 C37A F16 -125(3) 4 .
C37 C36 C37A F16 109(3) . .
C37A C36 C37A F16 174(3) 4 .
C35 C36 C37A F16 -6(3) . .
O10A C35 O10 Zn2 83.6(13) 4 .
O10A C35 O10 Zn2 -55.4(14) . .
O10 C35 O10 Zn2 5.6(8) 4 .
C36 C35 O10 Zn2 -174.4(8) . .
O1 Zn2 O10 C35 -9.4(13) . .
O8 Zn2 O10 C35 -136.4(11) 12_556 .
O4 Zn2 O10 C35 105.6(12) . .
F16 C37A C38A C39 -177.8(14) . .
C36 C37A C38A C39 -4(2) . .
C38 C39 C38A C37A -57.7(12) 4 .
C38 C39 C38A C37A 67.2(12) . .
C38A C39 C38A C37A 2.0(10) 4 .
C40 C39 C38A C37A -178.0(10) . .
C31 C32 C31A C30A -48.1(11) 4 .
C31 C32 C31A C30A 72.9(11) . .
C31A C32 C31A C30A 0.2(7) 4 .
C33 C32 C31A C30A -179.8(7) . .
C29 C30A C31A C32 -0.4(14) . .
F14 C30A C31A C32 179.0(15) . .
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 -0.011 -0.006 -0.001 22893 4831 ' '
