#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/34/4123450.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_4123450
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         'C54 H25.69 F3.80 O13 Zn4'
_chemical_formula_sum            'C54 H25.69 F3.8 O13 Zn4'
_chemical_formula_weight         1216.09
_chemical_name_common            MTV-MOF-177-AF1
_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            8
_cell_length_a                   37.099(5)
_cell_length_b                   37.099(5)
_cell_length_c                   30.042(5)
_cell_measurement_reflns_used    9650
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      38.09
_cell_measurement_theta_min      2.94
_cell_volume                     35808(9)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0993
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            95016
_diffrn_reflns_theta_full        38.13
_diffrn_reflns_theta_max         38.13
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.801
_exptl_absorpt_correction_T_max  0.8561
_exptl_absorpt_correction_T_min  0.8434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4863
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         6432
_refine_ls_number_restraints     820
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1206P)²+47.9647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2166
_refine_ls_wR_factor_ref         0.2237
_reflns_number_gt                5666
_reflns_number_total             6432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512311a_si_011.cif
_cod_data_source_block           MTV-MOF-177-AF1
_cod_depositor_comments
'Adding full bibliography for 4123443--4123455.cif.'
_cod_original_formula_sum        'C54 H25.69 F3.80 O13 Zn4'
_cod_database_code               4123450
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -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
C1 C 0.3503(3) 0.1358(3) 0.6458(4) 0.132(3) Uani 1 1 d DU . .
C2 C 0.3590(3) 0.1264(2) 0.59919(19) 0.156(4) Uani 1 1 d GDU A .
C7B C 0.3278(2) 0.1084(3) 0.5672(3) 0.239(8) Uani 0.766(9) 1 d PGU A 1
H7B H 0.3005 0.1004 0.5746 0.287 Uiso 0.766(9) 1 calc PR A 1
C6B C 0.3376(2) 0.1025(3) 0.5241(2) 0.220(7) Uani 0.766(9) 1 d PGU A 1
H6B H 0.3167 0.0905 0.5027 0.264 Uiso 0.766(9) 1 calc PR A 1
C5 C 0.3784(3) 0.1145(2) 0.5131(2) 0.168(4) Uani 1 1 d GDU . .
C4B C 0.4096(2) 0.1325(3) 0.5450(3) 0.259(9) Uani 0.766(9) 1 d PGU A 1
H4B H 0.4369 0.1405 0.5376 0.310 Uiso 0.766(9) 1 calc PR A 1
C3B C 0.3998(2) 0.1384(3) 0.5881(3) 0.263(9) Uani 0.766(9) 1 d PGU A 1
H3B H 0.4207 0.1504 0.6095 0.316 Uiso 0.766(9) 1 calc PR A 1
C3A C 0.3988(5) 0.1417(5) 0.5854(5) 0.284(9) Uani 0.234(9) 1 d PDU A 2
C4A C 0.4086(5) 0.1362(5) 0.5438(5) 0.284(9) Uani 0.234(9) 1 d PDU A 2
H4A H 0.4364 0.1473 0.5359 0.341 Uiso 0.234(9) 1 calc PR A 2
C6A C 0.3384(5) 0.0991(5) 0.5268(5) 0.284(9) Uani 0.234(9) 1 d PDU A 2
H6A H 0.3169 0.0841 0.5068 0.341 Uiso 0.234(9) 1 calc PR A 2
C7A C 0.3289(5) 0.1048(5) 0.5685(5) 0.284(9) Uani 0.234(9) 1 d PDU A 2
C8 C 0.3885(2) 0.1090(2) 0.46573(16) 0.145(4) Uani 1 1 d GU A .
C9 C 0.42576(19) 0.13811(16) 0.4461(2) 0.152(4) Uani 1 1 d GU . .
H9 H 0.4446 0.1616 0.4620 0.182 Uiso 1 1 calc R A .
C10 C 0.43488(17) 0.13218(18) 0.4028(2) 0.144(4) Uani 1 1 d GU A .
C11 C 0.4067(2) 0.0971(2) 0.37907(15) 0.147(4) Uani 1 1 d GU . .
H11 H 0.4128 0.0931 0.3501 0.177 Uiso 1 1 calc R A .
C12 C 0.36947(18) 0.06799(16) 0.39867(19) 0.139(3) Uani 1 1 d GU A .
C13 C 0.36034(17) 0.07393(18) 0.4420(2) 0.148(4) Uani 1 1 d GU . .
H13 H 0.3354 0.0544 0.4551 0.178 Uiso 1 1 calc R A .
C14 C 0.4740(2) 0.1646(2) 0.3805(3) 0.159(4) Uani 1 1 d GDU . .
C19B C 0.4817(3) 0.1589(3) 0.3366(3) 0.282(12) Uani 0.669(9) 1 d PGU A 1
H19B H 0.4629 0.1350 0.3213 0.338 Uiso 0.669(9) 1 calc PR A 1
C18B C 0.5176(3) 0.1889(3) 0.3155(3) 0.267(12) Uani 0.669(9) 1 d PGU A 1
H18B H 0.5228 0.1851 0.2861 0.320 Uiso 0.669(9) 1 calc PR A 1
C17 C 0.5458(2) 0.2246(2) 0.3383(3) 0.153(4) Uani 1 1 d GDU A .
C16B C 0.5380(3) 0.2303(3) 0.3823(3) 0.240(10) Uani 0.669(9) 1 d PGU A 1
H16B H 0.5568 0.2541 0.3976 0.288 Uiso 0.669(9) 1 calc PR A 1
C15B C 0.5021(3) 0.2003(3) 0.4034(2) 0.253(11) Uani 0.669(9) 1 d PGU A 1
H15B H 0.4969 0.2041 0.4328 0.304 Uiso 0.669(9) 1 calc PR A 1
C15A C 0.4876(5) 0.2056(4) 0.3836(6) 0.284(9) Uani 0.331(9) 1 d PDU A 2
H15A H 0.4726 0.2141 0.4012 0.341 Uiso 0.331(9) 1 calc PR A 2
C16A C 0.5213(6) 0.2346(5) 0.3628(7) 0.284(9) Uani 0.331(9) 1 d PDU A 2
C18A C 0.5334(7) 0.1835(5) 0.3373(10) 0.284(9) Uani 0.331(9) 1 d PDU A 2
C19A C 0.4987(7) 0.1544(5) 0.3569(10) 0.284(9) Uani 0.331(9) 1 d PDU A 2
H19A H 0.4915 0.1266 0.3544 0.341 Uiso 0.331(9) 1 calc PR A 2
C20 C 0.5852(5) 0.2569(4) 0.3160(4) 0.155(5) Uani 1 1 d D . .
C22A C 0.3338(5) 0.0303(5) 0.3296(5) 0.177(6) Uani 0.374(6) 1 d PDU A 2
H22A H 0.3499 0.0552 0.3146 0.213 Uiso 0.374(6) 1 calc PR A 2
C23A C 0.3058(5) -0.0045(5) 0.3061(5) 0.177(6) Uani 0.374(6) 1 d PDU A 2
C24 C 0.2803(2) -0.04126(19) 0.3286(3) 0.128(2) Uani 1 1 d GDU . .
C23B C 0.3225(2) -0.0242(3) 0.3199(3) 0.137(5) Uani 0.626(6) 1 d PGU A 1
H23B H 0.3314 -0.0361 0.2984 0.164 Uiso 0.626(6) 1 calc PR A 1
C22B C 0.35151(17) 0.0108(3) 0.3431(3) 0.156(6) Uani 0.626(6) 1 d PGU A 1
H22B H 0.3798 0.0222 0.3373 0.187 Uiso 0.626(6) 1 calc PR A 1
C21 C 0.3382(2) 0.0287(2) 0.3751(2) 0.143(4) Uani 1 1 d GDU A .
C26B C 0.2960(2) 0.0116(3) 0.3839(3) 0.172(7) Uani 0.626(6) 1 d PGU A 1
H26B H 0.2871 0.0235 0.4053 0.206 Uiso 0.626(6) 1 calc PR A 1
C25B C 0.26704(17) -0.0234(3) 0.3606(3) 0.172(7) Uani 0.626(6) 1 d PGU A 1
H25B H 0.2388 -0.0348 0.3664 0.207 Uiso 0.626(6) 1 calc PR A 1
C25A C 0.2898(7) -0.0442(5) 0.3718(5) 0.177(6) Uani 0.374(6) 1 d PDU A 2
C26A C 0.3167(6) -0.0094(5) 0.3957(5) 0.177(6) Uani 0.374(6) 1 d PDU A 2
H26A H 0.3204 -0.0116 0.4260 0.213 Uiso 0.374(6) 1 calc PR A 2
C27 C 0.2479(3) -0.0783(3) 0.3042(3) 0.128(2) Uani 1 1 d D . .
C28 C 0.2228(6) 0.1114(3) 0.7500 0.154(5) Uani 1 2 d SDU . .
C29 C 0.1757(3) 0.08785(16) 0.7500 0.164(5) Uani 1 2 d SDU . .
C30A C 0.1544(4) 0.0542(6) 0.7228(8) 0.162(8) Uani 0.391(9) 1 d PDU . 1
C30B C 0.1543(3) 0.0518(3) 0.7731(4) 0.195(8) Uani 0.609(9) 1 d PDU . 2
C31A C 0.1118(4) 0.0318(5) 0.7242(7) 0.137(7) Uani 0.391(9) 1 d PDU . 1
H31A H 0.0974 0.0076 0.7075 0.164 Uiso 0.391(9) 1 calc PR . 1
C31B C 0.1118(3) 0.0310(4) 0.7740(6) 0.188(7) Uani 0.609(9) 1 d PDU . 2
H31B H 0.0974 0.0070 0.7910 0.226 Uiso 0.609(9) 1 calc PR . 2
C32 C 0.0905(3) 0.04526(15) 0.7500 0.137(5) Uani 1 2 d SDU . .
C33 C 0.0440(2) 0.02201(11) 0.7500 0.134(4) Uani 1 2 d SDU . .
C34 C 0.02199(11) -0.02199(11) 0.7500 0.139(4) Uani 1 2 d SDU . .
H34 H 0.0365 -0.0365 0.7500 0.167 Uiso 1 2 calc SR . .
C35 C 0.4433(4) 0.2217(2) 0.7500 0.105(4) Uani 1 2 d SU . .
C36 C 0.4903(3) 0.24517(14) 0.7500 0.113(4) Uani 1 2 d SDU . .
C37A C 0.5118(4) 0.2275(5) 0.7316(11) 0.138(9) Uani 0.328(18) 1 d PDU . 1
H37A H 0.4974 0.2010 0.7193 0.166 Uiso 0.328(18) 1 calc PR . 1
C37B C 0.5119(3) 0.2277(3) 0.7686(6) 0.136(6) Uani 0.672(18) 1 d PDU . 2
H37B H 0.4975 0.2010 0.7806 0.163 Uiso 0.672(18) 1 calc PR . 2
C38A C 0.5543(4) 0.2489(5) 0.7315(11) 0.145(9) Uani 0.328(18) 1 d PDU . 1
H38A H 0.5688 0.2370 0.7189 0.173 Uiso 0.328(18) 1 calc PR . 1
C38B C 0.5545(3) 0.2494(3) 0.7695(7) 0.150(7) Uani 0.672(18) 1 d PDU . 2
H38B H 0.5690 0.2381 0.7834 0.180 Uiso 0.672(18) 1 calc PR . 2
C39 C 0.5759(3) 0.28797(15) 0.7500 0.145(5) Uani 1 2 d SDU . .
C40 C 0.6236(2) 0.31181(12) 0.7500 0.147(5) Uani 1 2 d SDU . .
C41 C 0.64512(11) 0.2902(2) 0.7500 0.152(5) Uani 1 2 d SDU . .
H41 H 0.6306 0.2613 0.7500 0.183 Uiso 1 2 calc SR . .
O1 O 0.33285(15) 0.16642(8) 0.7500 0.0729(17) Uani 1 2 d S . .
O2 O 0.6667 0.3333 0.2500 0.073(3) Uani 1 6 d S . .
O3 O 0.2330(5) -0.0754(5) 0.2640(5) 0.1220(17) Uani 0.2648(16) 1 d P . 2
O3A O 0.3191(6) 0.1089(6) 0.6651(6) 0.115(5) Uani 0.2648(16) 1 d PDU . 2
O3B O 0.3188(3) 0.1409(3) 0.6493(3) 0.150(2) Uani 0.7352(16) 1 d PD . 1
O4 O 0.2488(5) -0.1101(4) 0.3099(7) 0.1220(17) Uani 0.2648(16) 1 d P . 2
O4A O 0.3671(6) 0.1760(5) 0.6534(6) 0.115(5) Uani 0.2648(16) 1 d PDU . 2
O4B O 0.3700(3) 0.1306(3) 0.6782(3) 0.150(2) Uani 0.7352(16) 1 d PD . 1
O5A O 0.6159(4) 0.2892(4) 0.3345(3) 0.111(3) Uani 0.50 1 d PD . 1
O5B O 0.5821(5) 0.2900(5) 0.3084(5) 0.185(5) Uani 0.50 1 d PD . 2
O6A O 0.5895(4) 0.2512(4) 0.2749(4) 0.111(3) Uani 0.50 1 d PD . 1
O6B O 0.6086(5) 0.2453(5) 0.3031(9) 0.185(5) Uani 0.50 1 d PD A 2
O7B O 0.2601(2) -0.0945(2) 0.2760(2) 0.1220(17) Uani 0.7352(16) 1 d PD . 1
O8B O 0.2105(2) -0.0948(2) 0.3191(2) 0.1220(17) Uani 0.7352(16) 1 d PD . 1
O9A O 0.2462(7) 0.0955(9) 0.7288(11) 0.184(4) Uani 0.2648(16) 1 d P . 2
O9B O 0.2386(2) 0.1147(3) 0.7878(4) 0.184(4) Uani 0.7352(16) 1 d P . 1
O10A O 0.4247(5) 0.1827(6) 0.7532(5) 0.120(4) Uani 0.7352(16) 1 d P . 1
O10B O 0.4283(18) 0.1926(19) 0.7739(15) 0.120(4) Uani 0.2648(16) 1 d P . 2
F3 F 0.3063(6) -0.0037(6) 0.2579(6) 0.314(8) Uani 0.374(6) 1 d PDU A 2
F6 F 0.2619(6) -0.0758(7) 0.3975(6) 0.314(8) Uani 0.374(6) 1 d PDU A 2
F7 F 0.1765(6) 0.0372(7) 0.7958(10) 0.262(17) Uani 0.267(12) 1 d PDU . 2
F8 F 0.2872(11) 0.0883(8) 0.5808(10) 0.314(8) Uani 0.234(9) 1 d PDU A 2
F10 F 0.1707(5) 0.0351(7) 0.7035(10) 0.346(16) Uani 0.391(9) 1 d PU . 1
F11 F 0.4315(10) 0.1642(9) 0.6149(10) 0.314(8) Uani 0.234(9) 1 d PDU A 2
F20 F 0.5402(7) 0.2747(8) 0.3741(7) 0.314(8) Uani 0.331(9) 1 d PDU A 2
F26 F 0.5475(8) 0.1655(7) 0.3035(7) 0.314(8) Uani 0.331(9) 1 d PDU A 2
Zn1 Zn 0.36677(4) 0.14177(4) 0.73972(4) 0.0868(6) Uani 0.7352(16) 1 d P . 1
Zn2 Zn 0.30143(10) 0.11237(10) 0.72301(11) 0.0870(16) Uani 0.2648(16) 1 d P . 2
Zn3 Zn 0.29652(4) 0.13991(4) 0.80180(4) 0.1032(7) Uani 0.7352(16) 1 d P . 1
Zn4 Zn 0.37119(10) 0.16435(10) 0.79429(12) 0.0916(16) Uani 0.2648(16) 1 d P . 2
Zn5 Zn 0.6667 0.3333 0.30893(10) 0.0763(10) Uani 0.50 3 d SP . .
Zn6 Zn 0.65840(6) 0.28076(6) 0.27885(6) 0.0949(8) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Zn Zn -1.5491 0.6778 '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
O3A C1 O3B 61.5(12) . .
O3A C1 O4B 84.0(14) . .
O3B C1 O4B 126.0(12) . .
O3A C1 O4A 123.7(16) . .
O3B C1 O4A 76.5(11) . .
O4B C1 O4A 93.2(12) . .
O3A C1 C2 118.2(12) . .
O3B C1 C2 115.2(10) . .
O4B C1 C2 117.6(10) . .
O4A C1 C2 112.6(12) . .
C3A C2 C7A 116.1(10) . .
C3A C2 C7B 117.4(6) . .
C7A C2 C7B 6.7(10) . .
C3A C2 C3B 6.7(10) . .
C7A C2 C3B 117.9(6) . .
C7B C2 C3B 120.0 . .
C3A C2 C1 120.0(9) . .
C7A C2 C1 123.9(9) . .
C7B C2 C1 121.8(7) . .
C3B C2 C1 118.1(7) . .
C6B C7B C2 120.0 . .
C6B C7B H7B 120.0 . .
C2 C7B H7B 120.0 . .
C5 C6B C7B 120.0 . .
C5 C6B H6B 120.0 . .
C7B C6B H6B 120.0 . .
C4A C5 C6A 116.4(10) . .
C4A C5 C6B 118.1(6) . .
C6A C5 C6B 6.8(9) . .
C4A C5 C4B 6.6(10) . .
C6A C5 C4B 117.5(6) . .
C6B C5 C4B 120.0 . .
C4A C5 C8 122.2(9) . .
C6A C5 C8 121.4(9) . .
C6B C5 C8 119.1(6) . .
C4B C5 C8 120.9(6) . .
C3B C4B C5 120.0 . .
C3B C4B H4B 120.0 . .
C5 C4B H4B 120.0 . .
C4B C3B C2 120.0 . .
C4B C3B H3B 120.0 . .
C2 C3B H3B 120.0 . .
C4A C3A C2 122.7(11) . .
C4A C3A F11 117.6(17) . .
C2 C3A F11 119.7(16) . .
C3A C4A C5 121.0(11) . .
C3A C4A H4A 119.5 . .
C5 C4A H4A 119.5 . .
C7A C6A C5 122.2(11) . .
C7A C6A H6A 118.9 . .
C5 C6A H6A 118.9 . .
C6A C7A C2 121.6(11) . .
C6A C7A F8 119.7(17) . .
C2 C7A F8 118.8(16) . .
C9 C8 C13 120.0 . .
C9 C8 C5 120.7(5) . .
C13 C8 C5 119.3(5) . .
C8 C9 C10 120.0 . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C11 C10 C9 120.0 . .
C11 C10 C14 119.6(5) . .
C9 C10 C14 120.3(5) . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 C21 117.5(5) . .
C11 C12 C21 122.5(5) . .
C12 C13 C8 120.0 . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
C15A C14 C19A 115.3(10) . .
C15A C14 C19B 104.4(7) . .
C19A C14 C19B 40.6(15) . .
C15A C14 C15B 37.8(9) . .
C19A C14 C15B 103.4(10) . .
C19B C14 C15B 120.0 . .
C15A C14 C10 122.8(9) . .
C19A C14 C10 121.9(9) . .
C19B C14 C10 119.5(6) . .
C15B C14 C10 120.5(6) . .
C14 C19B C18B 120.0 . .
C14 C19B H19B 120.0 . .
C18B C19B H19B 120.0 . .
C17 C18B C19B 120.0 . .
C17 C18B H18B 120.0 . .
C19B C18B H18B 120.0 . .
C18A C17 C16A 115.1(10) . .
C18A C17 C16B 102.4(11) . .
C16A C17 C16B 39.2(12) . .
C18A C17 C18B 41.1(16) . .
C16A C17 C18B 104.0(9) . .
C16B C17 C18B 120.0 . .
C18A C17 C20 122.2(10) . .
C16A C17 C20 122.6(10) . .
C16B C17 C20 119.6(7) . .
C18B C17 C20 120.4(7) . .
C15B C16B C17 120.0 . .
C15B C16B H16B 120.0 . .
C17 C16B H16B 120.0 . .
C16B C15B C14 120.0 . .
C16B C15B H15B 120.0 . .
C14 C15B H15B 120.0 . .
C16A C15A C14 123.6(11) . .
C16A C15A H15A 118.2 . .
C14 C15A H15A 118.2 . .
C15A C16A F20 122.8(15) . .
C15A C16A C17 121.4(11) . .
F20 C16A C17 113.1(16) . .
C19A C18A C17 123.3(11) . .
C19A C18A F26 111.1(16) . .
C17 C18A F26 122.5(16) . .
C18A C19A C14 121.2(11) . .
C18A C19A H19A 119.4 . .
C14 C19A H19A 119.4 . .
O6B C20 O6A 57.3(12) . .
O6B C20 O5A 90.7(16) . .
O6A C20 O5A 116.6(13) . .
O6B C20 O5B 134.0(19) . .
O6A C20 O5B 93.8(13) . .
O5A C20 O5B 69.9(10) . .
O6B C20 C17 116.2(14) . .
O6A C20 C17 116.7(11) . .
O5A C20 C17 126.7(11) . .
O5B C20 C17 108.6(12) . .
C23A C22A C21 121.1(10) . .
C23A C22A H22A 119.4 . .
C21 C22A H22A 119.4 . .
C22A C23A C24 119.7(10) . .
C22A C23A F3 119.8(13) . .
C24 C23A F3 120.2(13) . .
C25A C24 C23A 117.8(9) . .
C25A C24 C23B 86.5(10) . .
C23A C24 C23B 53.1(8) . .
C25A C24 C25B 63.1(11) . .
C23A C24 C25B 95.6(7) . .
C23B C24 C25B 120.0 . .
C25A C24 C27 121.0(9) . .
C23A C24 C27 120.5(9) . .
C23B C24 C27 122.2(6) . .
C25B C24 C27 117.8(6) . .
C24 C23B C22B 120.0 . .
C24 C23B H23B 120.0 . .
C22B C23B H23B 120.0 . .
C21 C22B C23B 120.0 . .
C21 C22B H22B 120.0 . .
C23B C22B H22B 120.0 . .
C26A C21 C22A 117.9(9) . .
C26A C21 C22B 89.0(9) . .
C22A C21 C22B 54.2(6) . .
C26A C21 C26B 60.2(10) . .
C22A C21 C26B 94.2(6) . .
C22B C21 C26B 120.0 . .
C26A C21 C12 123.6(8) . .
C22A C21 C12 118.2(8) . .
C22B C21 C12 120.1(5) . .
C26B C21 C12 119.8(5) . .
C25B C26B C21 120.0 . .
C25B C26B H26B 120.0 . .
C21 C26B H26B 120.0 . .
C26B C25B C24 120.0 . .
C26B C25B H25B 120.0 . .
C24 C25B H25B 120.0 . .
F6 C25A C24 119.7(15) . .
F6 C25A C26A 113.6(15) . .
C24 C25A C26A 121.0(10) . .
C21 C26A C25A 120.6(10) . .
C21 C26A H26A 119.7 . .
C25A C26A H26A 119.7 . .
O4 C27 O7B 55.5(10) . .
O4 C27 O8B 92.1(13) . .
O7B C27 O8B 125.1(10) . .
O4 C27 O3 114.6(15) . .
O7B C27 O3 72.2(10) . .
O8B C27 O3 87.8(11) . .
O4 C27 C24 115.4(11) . .
O7B C27 C24 117.3(8) . .
O8B C27 C24 116.6(8) . .
O3 C27 C24 122.5(10) . .
O9B C28 O9B 132(2) . 6_556
O9B C28 O9A 95.2(14) . .
O9B C28 O9A 58.7(13) 6_556 .
O9B C28 O9A 58.7(13) . 6_556
O9B C28 O9A 95.2(14) 6_556 6_556
O9A C28 O9A 116(2) . 6_556
O9B C28 C29 113.9(10) . .
O9B C28 C29 113.9(10) 6_556 .
O9A C28 C29 121.9(12) . .
O9A C28 C29 121.9(12) 6_556 .
C30B C29 C30B 119.1(10) . 6_556
C30B C29 C30A 67.6(11) . .
C30B C29 C30A 82.7(11) 6_556 .
C30B C29 C30A 82.7(11) . 6_556
C30B C29 C30A 67.6(11) 6_556 6_556
C30A C29 C30A 119.8(10) . 6_556
C30B C29 C28 120.4(5) . .
C30B C29 C28 120.4(5) 6_556 .
C30A C29 C28 120.1(5) . .
C30A C29 C28 120.1(5) 6_556 .
F10 C30A C29 124.0(13) . .
F10 C30A C31A 113.6(12) . .
C29 C30A C31A 120.1(7) . .
C29 C30B C31B 120.4(6) . .
C29 C30B F7 118.3(12) . .
C31B C30B F7 121.3(11) . .
C32 C31A C30A 119.9(7) . .
C32 C31A H31A 120.1 . .
C30A C31A H31A 120.1 . .
C32 C31B C30B 120.3(6) . .
C32 C31B H31B 119.9 . .
C30B C31B H31B 119.9 . .
C31B C32 C31B 119.4(9) 6_556 .
C31B C32 C31A 66.7(10) 6_556 6_556
C31B C32 C31A 83.7(9) . 6_556
C31B C32 C31A 83.7(9) 6_556 .
C31B C32 C31A 66.7(10) . .
C31A C32 C31A 119.9(10) 6_556 .
C31B C32 C33 120.3(5) 6_556 .
C31B C32 C33 120.3(5) . .
C31A C32 C33 120.0(5) 6_556 .
C31A C32 C33 120.0(5) . .
C34 C33 C34 119.9(5) . 6_556
C34 C33 C32 120.0(2) . .
C34 C33 C32 120.0(2) 6_556 .
C33 C34 C33 120.1(5) . 3
C33 C34 H34 120.0 . .
C33 C34 H34 120.0 3 .
O10B C35 O10B 132(5) 6_556 .
O10B C35 O10A 116(2) 6_556 .
O10B C35 O10A 33(2) . .
O10B C35 O10A 33(2) 6_556 6_556
O10B C35 O10A 116(2) . 6_556
O10A C35 O10A 123.0(19) . 6_556
O10B C35 C36 114(3) 6_556 .
O10B C35 C36 114(3) . .
O10A C35 C36 118.5(10) . .
O10A C35 C36 118.5(10) 6_556 .
C37A C36 C37A 119.8(10) 6_556 .
C37A C36 C37B 47.7(11) 6_556 6_556
C37A C36 C37B 99.7(9) . 6_556
C37A C36 C37B 99.7(9) 6_556 .
C37A C36 C37B 47.7(11) . .
C37B C36 C37B 119.6(9) 6_556 .
C37A C36 C35 120.1(5) 6_556 .
C37A C36 C35 120.1(5) . .
C37B C36 C35 120.2(4) 6_556 .
C37B C36 C35 120.2(4) . .
C38A C37A C36 120.0(7) . .
C38A C37A H37A 120.0 . .
C36 C37A H37A 120.0 . .
C38B C37B C36 120.1(6) . .
C38B C37B H37B 120.0 . .
C36 C37B H37B 120.0 . .
C37A C38A C39 120.5(7) . .
C37A C38A H38A 119.8 . .
C39 C38A H38A 119.8 . .
C37B C38B C39 120.2(6) . .
C37B C38B H38B 119.9 . .
C39 C38B H38B 119.9 . .
C38B C39 C38B 119.7(9) . 6_556
C38B C39 C38A 49.1(11) . .
C38B C39 C38A 98.5(9) 6_556 .
C38B C39 C38A 98.5(9) . 6_556
C38B C39 C38A 49.1(11) 6_556 6_556
C38A C39 C38A 119.3(10) . 6_556
C38B C39 C40 120.1(5) . .
C38B C39 C40 120.1(5) 6_556 .
C38A C39 C40 120.4(5) . .
C38A C39 C40 120.4(5) 6_556 .
C41 C40 C41 120.1(5) 3_665 .
C41 C40 C39 119.9(2) 3_665 .
C41 C40 C39 119.9(2) . .
C40 C41 C40 119.9(5) 2_655 .
C40 C41 H41 120.1 2_655 .
C40 C41 H41 120.1 . .
Zn1 O1 Zn1 110.6(3) 6_556 .
Zn1 O1 Zn2 68.55(10) 6_556 6_556
Zn1 O1 Zn2 164.35(11) . 6_556
Zn1 O1 Zn2 164.35(11) 6_556 .
Zn1 O1 Zn2 68.55(10) . .
Zn2 O1 Zn2 116.7(3) 6_556 .
Zn1 O1 Zn3 109.75(5) 6_556 6_556
Zn1 O1 Zn3 109.67(5) . 6_556
Zn2 O1 Zn3 84.60(18) 6_556 6_556
Zn2 O1 Zn3 58.15(14) . 6_556
Zn1 O1 Zn3 109.67(5) 6_556 .
Zn1 O1 Zn3 109.75(5) . .
Zn2 O1 Zn3 58.15(14) 6_556 .
Zn2 O1 Zn3 84.60(18) . .
Zn3 O1 Zn3 107.3(2) 6_556 .
Zn1 O1 Zn4 55.42(14) 6_556 6_556
Zn1 O1 Zn4 81.85(18) . 6_556
Zn2 O1 Zn4 108.41(14) 6_556 6_556
Zn2 O1 Zn4 109.76(14) . 6_556
Zn3 O1 Zn4 76.99(10) 6_556 6_556
Zn3 O1 Zn4 164.48(11) . 6_556
Zn1 O1 Zn4 81.85(18) 6_556 .
Zn1 O1 Zn4 55.42(14) . .
Zn2 O1 Zn4 109.76(14) 6_556 .
Zn2 O1 Zn4 108.41(14) . .
Zn3 O1 Zn4 164.48(11) 6_556 .
Zn3 O1 Zn4 76.99(10) . .
Zn4 O1 Zn4 102.9(3) 6_556 .
Zn5 O2 Zn5 180.0 . 4_665
Zn5 O2 Zn6 115.51(5) . 4_665
Zn5 O2 Zn6 64.49(5) 4_665 4_665
Zn5 O2 Zn6 115.51(5) . 5_655
Zn5 O2 Zn6 64.49(5) 4_665 5_655
Zn6 O2 Zn6 102.82(6) 4_665 5_655
Zn5 O2 Zn6 64.49(5) . 2_655
Zn5 O2 Zn6 115.51(5) 4_665 2_655
Zn6 O2 Zn6 65.90(11) 4_665 2_655
Zn6 O2 Zn6 164.85(11) 5_655 2_655
Zn5 O2 Zn6 64.49(5) . .
Zn5 O2 Zn6 115.51(5) 4_665 .
Zn6 O2 Zn6 89.98(11) 4_665 .
Zn6 O2 Zn6 65.90(11) 5_655 .
Zn6 O2 Zn6 102.82(6) 2_655 .
Zn5 O2 Zn6 115.51(5) . 6
Zn5 O2 Zn6 64.49(5) 4_665 6
Zn6 O2 Zn6 102.81(6) 4_665 6
Zn6 O2 Zn6 102.81(6) 5_655 6
Zn6 O2 Zn6 89.98(11) 2_655 6
Zn6 O2 Zn6 164.84(11) . 6
Zn5 O2 Zn6 64.49(5) . 3_665
Zn5 O2 Zn6 115.50(5) 4_665 3_665
Zn6 O2 Zn6 164.83(11) 4_665 3_665
Zn6 O2 Zn6 89.98(11) 5_655 3_665
Zn6 O2 Zn6 102.81(6) 2_655 3_665
Zn6 O2 Zn6 102.82(6) . 3_665
Zn6 O2 Zn6 65.89(11) 6 3_665
C27 O3 Zn2 137.4(13) . 11
C1 O3A Zn2 126.8(13) . .
C1 O3B Zn3 132.4(8) . 6_556
C27 O4 Zn4 126.5(13) . 11
C1 O4A Zn4 132.3(13) . 6_556
C1 O4B Zn1 126.7(8) . .
C20 O5A Zn5 130.2(9) . .
C20 O5A Zn6 84.9(8) . .
Zn5 O5A Zn6 54.1(3) . .
C20 O5A Zn6 97.4(9) . 3_665
Zn5 O5A Zn6 52.9(3) . 3_665
Zn6 O5A Zn6 79.7(3) . 3_665
C20 O5B Zn6 128.0(12) . 3_665
C20 O6A Zn6 141.7(10) . 5_655
C20 O6A Zn6 94.2(9) . .
Zn6 O6A Zn6 62.3(3) 5_655 .
C20 O6B Zn6 121.7(14) . .
C27 O7B Zn1 125.6(7) . 11
C27 O8B Zn3 136.2(7) . 11
C28 O9A Zn2 136(2) . .
C28 O9B Zn3 127.1(13) . .
C35 O10A Zn1 129.6(13) . .
C35 O10B Zn4 125(4) . .
O4B Zn1 O1 112.7(3) . .
O4B Zn1 O7B 111.3(4) . 11_556
O1 Zn1 O7B 115.8(2) . 11_556
O4B Zn1 O10A 101.8(5) . .
O1 Zn1 O10A 109.0(5) . .
O7B Zn1 O10A 104.9(6) 11_556 .
O4B Zn1 Zn1 115.6(3) . 6_556
O1 Zn1 Zn1 34.69(13) . 6_556
O7B Zn1 Zn1 132.1(2) 11_556 6_556
O10A Zn1 Zn1 74.7(5) . 6_556
O9A Zn2 O3A 115.7(12) . .
O9A Zn2 O1 108.0(10) . .
O3A Zn2 O1 114.2(5) . .
O9A Zn2 O3 102.6(12) . 11_556
O3A Zn2 O3 111.2(9) . 11_556
O1 Zn2 O3 104.0(5) . 11_556
O9B Zn3 O3B 119.7(5) . 6_556
O9B Zn3 O8B 105.6(4) . 11_556
O3B Zn3 O8B 103.5(4) 6_556 11_556
O9B Zn3 O1 113.0(4) . .
O3B Zn3 O1 107.6(3) 6_556 .
O8B Zn3 O1 106.1(2) 11_556 .
O4 Zn4 O4A 108.1(9) 11_556 6_556
O4 Zn4 O10B 105.7(19) 11_556 .
O4A Zn4 O10B 109.3(13) 6_556 .
O4 Zn4 O1 114.5(6) 11_556 .
O4A Zn4 O1 106.8(5) 6_556 .
O10B Zn4 O1 112.4(16) . .
O4 Zn4 Zn4 134.1(7) 11_556 6_556
O4A Zn4 Zn4 115.1(6) 6_556 6_556
O10B Zn4 Zn4 74.4(17) . 6_556
O1 Zn4 Zn4 38.54(15) . 6_556
O2 Zn5 O5A 113.5(3) . .
O2 Zn5 O5A 113.5(3) . 2_655
O5A Zn5 O5A 105.2(4) . 2_655
O2 Zn5 O5A 113.5(3) . 3_665
O5A Zn5 O5A 105.2(4) . 3_665
O5A Zn5 O5A 105.2(4) 2_655 3_665
O2 Zn5 Zn6 63.55(9) . 2_655
O5A Zn5 Zn6 176.7(4) . 2_655
O5A Zn5 Zn6 75.4(3) 2_655 2_655
O5A Zn5 Zn6 77.6(4) 3_665 2_655
O2 Zn5 Zn6 63.55(9) . .
O5A Zn5 Zn6 75.4(3) . .
O5A Zn5 Zn6 77.6(4) 2_655 .
O5A Zn5 Zn6 176.7(4) 3_665 .
Zn6 Zn5 Zn6 101.68(11) 2_655 .
O2 Zn5 Zn6 63.55(9) . 3_665
O5A Zn5 Zn6 77.6(4) . 3_665
O5A Zn5 Zn6 176.7(4) 2_655 3_665
O5A Zn5 Zn6 75.4(3) 3_665 3_665
Zn6 Zn5 Zn6 101.68(11) 2_655 3_665
Zn6 Zn5 Zn6 101.68(11) . 3_665
O6B Zn6 O5B 120.7(9) . 2_655
O6B Zn6 O6A 104.4(6) . 5_655
O5B Zn6 O6A 99.4(6) 2_655 5_655
O6B Zn6 O2 119.1(5) . .
O5B Zn6 O2 109.1(5) 2_655 .
O6A Zn6 O2 99.4(3) 5_655 .
O6B Zn6 Zn5 97.4(6) . .
O5B Zn6 Zn5 85.9(5) 2_655 .
O6A Zn6 Zn5 150.5(3) 5_655 .
O2 Zn6 Zn5 51.96(9) . .
O6B Zn6 Zn6 85.2(8) . 5_655
O5B Zn6 Zn6 153.1(5) 2_655 5_655
O6A Zn6 Zn6 64.1(4) 5_655 5_655
O2 Zn6 Zn6 57.05(6) . 5_655
Zn5 Zn6 Zn6 98.71(10) . 5_655
O6B Zn6 O6A 32.3(7) . .
O5B Zn6 O6A 152.9(6) 2_655 .
O6A Zn6 O6A 93.3(7) 5_655 .
O2 Zn6 O6A 92.1(3) . .
Zn5 Zn6 O6A 94.7(3) . .
Zn6 Zn6 O6A 53.6(3) 5_655 .
O6B Zn6 O5A 47.1(7) . .
O5B Zn6 O5A 106.8(7) 2_655 .
O6A Zn6 O5A 148.7(5) 5_655 .
O2 Zn6 O5A 88.0(3) . .
Zn5 Zn6 O5A 50.5(3) . .
Zn6 Zn6 O5A 96.3(3) 5_655 .
O6A Zn6 O5A 55.9(3) . .
O6B Zn6 O5A 113.2(9) . 2_655
O5B Zn6 O5A 36.9(5) 2_655 2_655
O6A Zn6 O5A 133.0(5) 5_655 2_655
O2 Zn6 O5A 86.4(3) . 2_655
Zn5 Zn6 O5A 49.5(3) . 2_655
Zn6 Zn6 O5A 143.3(3) 5_655 2_655
O6A Zn6 O5A 133.3(5) . 2_655
O5A Zn6 O5A 77.4(5) . 2_655
O6B Zn6 Zn6 160.5(7) . 4_665
O5B Zn6 Zn6 78.6(5) 2_655 4_665
O6A Zn6 Zn6 72.6(4) 5_655 4_665
O2 Zn6 Zn6 45.01(5) . 4_665
Zn5 Zn6 Zn6 80.22(9) . 4_665
Zn6 Zn6 Zn6 76.10(10) 5_655 4_665
O6A Zn6 Zn6 128.3(3) . 4_665
O5A Zn6 Zn6 128.8(3) . 4_665
O5A Zn6 Zn6 80.1(3) 2_655 4_665
O6B Zn6 Zn6 136.3(6) . 2_655
O5B Zn6 Zn6 71.8(5) 2_655 2_655
O6A Zn6 Zn6 115.0(4) 5_655 2_655
O2 Zn6 Zn6 38.59(3) . 2_655
Zn5 Zn6 Zn6 39.16(6) . 2_655
Zn6 Zn6 Zn6 95.12(3) 5_655 2_655
O6A Zn6 Zn6 123.7(4) . 2_655
O5A Zn6 Zn6 89.6(3) . 2_655
O5A Zn6 Zn6 49.3(3) 2_655 2_655
Zn6 Zn6 Zn6 42.49(8) 4_665 2_655
O6B Zn6 Zn6 82.8(5) . 3_665
O5B Zn6 Zn6 124.5(5) 2_655 3_665
O6A Zn6 Zn6 124.1(3) 5_655 3_665
O2 Zn6 Zn6 38.59(3) . 3_665
Zn5 Zn6 Zn6 39.16(6) . 3_665
Zn6 Zn6 Zn6 61.40(9) 5_655 3_665
O6A Zn6 Zn6 63.8(4) . 3_665
O5A Zn6 Zn6 51.0(3) . 3_665
O5A Zn6 Zn6 88.6(3) 2_655 3_665
Zn6 Zn6 Zn6 83.34(5) 4_665 3_665
Zn6 Zn6 Zn6 60.0 2_655 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O3A 1.231(13) .
C1 O3B 1.278(9) .
C1 O4B 1.288(9) .
C1 O4A 1.319(13) .
C1 C2 1.515(12) .
C2 C3A 1.357(13) .
C2 C7A 1.357(13) .
C2 C7B 1.3900 .
C2 C3B 1.3900 .
C7B C6B 1.3900 .
C7B H7B 0.9300 .
C6B C5 1.3900 .
C6B H6B 0.9300 .
C5 C4A 1.360(13) .
C5 C6A 1.362(13) .
C5 C4B 1.3900 .
C5 C8 1.510(6) .
C4B C3B 1.3900 .
C4B H4B 0.9300 .
C3B H3B 0.9300 .
C3A C4A 1.346(16) .
C3A F11 1.39(3) .
C4A H4A 0.9300 .
C6A C7A 1.345(16) .
C6A H6A 0.9300 .
C7A F8 1.40(4) .
C8 C9 1.3900 .
C8 C13 1.3900 .
C9 C10 1.3900 .
C9 H9 0.9300 .
C10 C11 1.3900 .
C10 C14 1.501(7) .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 C21 1.510(6) .
C13 H13 0.9300 .
C14 C15A 1.345(13) .
C14 C19A 1.356(13) .
C14 C19B 1.3900 .
C14 C15B 1.3900 .
C19B C18B 1.3900 .
C19B H19B 0.9300 .
C18B C17 1.3900 .
C18B H18B 0.9300 .
C17 C18A 1.352(13) .
C17 C16A 1.358(13) .
C17 C16B 1.3900 .
C17 C20 1.510(14) .
C16B C15B 1.3900 .
C16B H16B 0.9300 .
C15B H15B 0.9300 .
C15A C16A 1.327(15) .
C15A H15A 0.9300 .
C16A F20 1.33(3) .
C18A C19A 1.335(15) .
C18A F26 1.45(3) .
C19A H19A 0.9300 .
C20 O6B 1.209(13) .
C20 O6A 1.274(11) .
C20 O5A 1.296(11) .
C20 O5B 1.307(12) .
C22A C23A 1.379(14) .
C22A C21 1.382(12) .
C22A H22A 0.9300 .
C23A C24 1.386(12) .
C23A F3 1.45(2) .
C24 C25A 1.366(12) .
C24 C23B 1.3900 .
C24 C25B 1.3900 .
C24 C27 1.489(10) .
C23B C22B 1.3900 .
C23B H23B 0.9300 .
C22B C21 1.3900 .
C22B H22B 0.9300 .
C21 C26A 1.372(12) .
C21 C26B 1.3900 .
C26B C25B 1.3900 .
C26B H26B 0.9300 .
C25B H25B 0.9300 .
C25A F6 1.35(2) .
C25A C26A 1.374(14) .
C26A H26A 0.9300 .
C27 O4 1.210(13) .
C27 O7B 1.247(8) .
C27 O8B 1.286(8) .
C27 O3 1.354(13) .
C28 O9B 1.255(9) .
C28 O9B 1.255(9) 6_556
C28 O9A 1.42(3) .
C28 O9A 1.42(3) 6_556
C28 C29 1.513(18) .
C29 C30B 1.358(8) .
C29 C30B 1.358(8) 6_556
C29 C30A 1.366(9) .
C29 C30A 1.366(9) 6_556
C30A F10 1.28(2) .
C30A C31A 1.368(13) .
C30B C31B 1.366(11) .
C30B F7 1.37(2) .
C31A C32 1.367(9) .
C31A H31A 0.9300 .
C31B C32 1.356(8) .
C31B H31B 0.9300 .
C32 C31B 1.356(8) 6_556
C32 C31A 1.367(9) 6_556
C32 C33 1.494(11) .
C33 C34 1.414(6) .
C33 C34 1.414(6) 6_556
C34 C33 1.414(6) 3
C34 H34 0.9300 .
C35 O10B 1.18(7) 6_556
C35 O10B 1.18(7) .
C35 O10A 1.256(19) .
C35 O10A 1.256(19) 6_556
C35 C36 1.510(15) .
C36 C37A 1.373(10) 6_556
C36 C37A 1.373(10) .
C36 C37B 1.375(8) 6_556
C36 C37B 1.375(8) .
C37A C38A 1.367(14) .
C37A H37A 0.9300 .
C37B C38B 1.370(10) .
C37B H37B 0.9300 .
C38A C39 1.373(10) .
C38A H38A 0.9300 .
C38B C39 1.372(8) .
C38B H38B 0.9300 .
C39 C38B 1.372(8) 6_556
C39 C38A 1.373(10) 6_556
C39 C40 1.532(11) .
C40 C41 1.384(7) 3_665
C40 C41 1.384(7) .
C41 C40 1.384(7) 2_655
C41 H41 0.9300 .
O1 Zn1 1.915(3) 6_556
O1 Zn1 1.915(3) .
O1 Zn2 1.923(4) 6_556
O1 Zn2 1.923(4) .
O1 Zn3 1.970(3) 6_556
O1 Zn3 1.970(3) .
O1 Zn4 1.977(5) 6_556
O1 Zn4 1.977(5) .
O2 Zn5 1.770(3) .
O2 Zn5 1.770(3) 4_665
O2 Zn6 2.0126(18) 4_665
O2 Zn6 2.0126(18) 5_655
O2 Zn6 2.0126(18) 2_655
O2 Zn6 2.0127(18) .
O2 Zn6 2.0128(18) 6
O2 Zn6 2.0128(18) 3_665
O3 Zn2 1.956(12) 11
O3A Zn2 1.885(17) .
O3B Zn3 1.914(8) 6_556
O4 Zn4 1.886(13) 11
O4A Zn4 1.906(17) 6_556
O4B Zn1 1.911(8) .
O5A Zn5 1.932(10) .
O5A Zn6 2.424(11) .
O5A Zn6 2.483(12) 3_665
O5B Zn6 1.955(13) 3_665
O6A Zn6 1.991(11) 5_655
O6A Zn6 2.225(12) .
O6B Zn6 1.801(15) .
O7B Zn1 1.918(6) 11
O8B Zn3 1.930(7) 11
O9A Zn2 1.83(2) .
O9B Zn3 1.912(8) .
O10A Zn1 1.955(16) .
O10B Zn4 1.93(6) .
Zn1 O7B 1.918(6) 11_556
Zn1 Zn1 3.149(2) 6_556
Zn2 O3 1.956(12) 11_556
Zn3 O3B 1.914(8) 6_556
Zn3 O8B 1.930(7) 11_556
Zn4 O4 1.886(13) 11_556
Zn4 O4A 1.905(17) 6_556
Zn4 Zn4 3.093(7) 6_556
Zn5 O5A 1.932(10) 2_655
Zn5 O5A 1.932(10) 3_665
Zn5 Zn6 2.029(2) 2_655
Zn5 Zn6 2.029(2) .
Zn5 Zn6 2.029(2) 3_665
Zn6 O5B 1.955(13) 2_655
Zn6 O6A 1.991(11) 5_655
Zn6 Zn6 2.189(4) 5_655
Zn6 O5A 2.483(12) 2_655
Zn6 Zn6 2.846(4) 4_665
Zn6 Zn6 3.146(3) 2_655
Zn6 Zn6 3.146(3) 3_665
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
O3A C1 C2 C3A -146.0(18) . .
O3B C1 C2 C3A 144.2(12) . .
O4B C1 C2 C3A -47.6(15) . .
O4A C1 C2 C3A 59.0(15) . .
O3A C1 C2 C7A 37(2) . .
O3B C1 C2 C7A -32.4(16) . .
O4B C1 C2 C7A 135.8(12) . .
O4A C1 C2 C7A -117.6(14) . .
O3A C1 C2 C7B 45(2) . .
O3B C1 C2 C7B -24.8(14) . .
O4B C1 C2 C7B 143.4(9) . .
O4A C1 C2 C7B -110.0(13) . .
O3A C1 C2 C3B -138.6(17) . .
O3B C1 C2 C3B 151.7(10) . .
O4B C1 C2 C3B -40.1(13) . .
O4A C1 C2 C3B 66.4(13) . .
C3A C2 C7B C6B 7.1(11) . .
C7A C2 C7B C6B -74(6) . .
C3B C2 C7B C6B 0.0 . .
C1 C2 C7B C6B 176.4(8) . .
C2 C7B C6B C5 0.0 . .
C7B C6B C5 C4A -7.3(12) . .
C7B C6B C5 C6A 70(6) . .
C7B C6B C5 C4B 0.0 . .
C7B C6B C5 C8 -178.2(6) . .
C4A C5 C4B C3B 75(6) . .
C6A C5 C4B C3B -7.2(11) . .
C6B C5 C4B C3B 0.0 . .
C8 C5 C4B C3B 178.1(7) . .
C5 C4B C3B C2 0.0 . .
C3A C2 C3B C4B -69(6) . .
C7A C2 C3B C4B 7.3(11) . .
C7B C2 C3B C4B 0.0 . .
C1 C2 C3B C4B -176.5(7) . .
C7A C2 C3A C4A 0.2(9) . .
C7B C2 C3A C4A -7.2(14) . .
C3B C2 C3A C4A 108(6) . .
C1 C2 C3A C4A -176.7(9) . .
C7A C2 C3A F11 -180.0(5) . .
C7B C2 C3A F11 172.7(11) . .
C3B C2 C3A F11 -73(6) . .
C1 C2 C3A F11 3.2(11) . .
C2 C3A C4A C5 -0.2(10) . .
F11 C3A C4A C5 180.0(6) . .
C6A C5 C4A C3A 0.0(9) . .
C6B C5 C4A C3A 7.5(14) . .
C4B C5 C4A C3A -101(6) . .
C8 C5 C4A C3A 178.1(8) . .
C4A C5 C6A C7A 0.0(7) . .
C6B C5 C6A C7A -106(6) . .
C4B C5 C6A C7A 7.4(12) . .
C8 C5 C6A C7A -178.0(7) . .
C5 C6A C7A C2 0.0(5) . .
C5 C6A C7A F8 179.9(3) . .
C3A C2 C7A C6A -0.1(7) . .
C7B C2 C7A C6A 102(6) . .
C3B C2 C7A C6A -7.4(12) . .
C1 C2 C7A C6A 176.6(8) . .
C3A C2 C7A F8 179.9(4) . .
C7B C2 C7A F8 -78(6) . .
C3B C2 C7A F8 172.7(11) . .
C1 C2 C7A F8 -3.3(8) . .
C4A C5 C8 C9 -27.0(11) . .
C6A C5 C8 C9 150.9(9) . .
C6B C5 C8 C9 143.5(6) . .
C4B C5 C8 C9 -34.6(8) . .
C4A C5 C8 C13 151.9(9) . .
C6A C5 C8 C13 -30.2(10) . .
C6B C5 C8 C13 -37.6(8) . .
C4B C5 C8 C13 144.2(6) . .
C13 C8 C9 C10 0.0 . .
C5 C8 C9 C10 178.9(7) . .
C8 C9 C10 C11 0.0 . .
C8 C9 C10 C14 176.7(7) . .
C9 C10 C11 C12 0.0 . .
C14 C10 C11 C12 -176.7(7) . .
C10 C11 C12 C13 0.0 . .
C10 C11 C12 C21 -178.1(7) . .
C11 C12 C13 C8 0.0 . .
C21 C12 C13 C8 178.2(6) . .
C9 C8 C13 C12 0.0 . .
C5 C8 C13 C12 -178.9(7) . .
C11 C10 C14 C15A 134.0(10) . .
C9 C10 C14 C15A -42.7(12) . .
C11 C10 C14 C19A -48.2(19) . .
C9 C10 C14 C19A 135.2(18) . .
C11 C10 C14 C19B -0.7(10) . .
C9 C10 C14 C19B -177.4(8) . .
C11 C10 C14 C15B 178.7(7) . .
C9 C10 C14 C15B 2.0(10) . .
C15A C14 C19B C18B 37.5(9) . .
C19A C14 C19B C18B -74.8(10) . .
C15B C14 C19B C18B 0.0 . .
C10 C14 C19B C18B 179.4(8) . .
C14 C19B C18B C17 0.0 . .
C19B C18B C17 C18A 73.3(10) . .
C19B C18B C17 C16A -38.9(11) . .
C19B C18B C17 C16B 0.0 . .
C19B C18B C17 C20 178.9(10) . .
C18A C17 C16B C15B -40.1(14) . .
C16A C17 C16B C15B 74.6(10) . .
C18B C17 C16B C15B 0.0 . .
C20 C17 C16B C15B -178.9(9) . .
C17 C16B C15B C14 0.0 . .
C15A C14 C15B C16B -73.9(10) . .
C19A C14 C15B C16B 40.2(13) . .
C19B C14 C15B C16B 0.0 . .
C10 C14 C15B C16B -179.4(8) . .
C19A C14 C15A C16A 4.5(18) . .
C19B C14 C15A C16A -37.2(11) . .
C15B C14 C15A C16A 83.6(12) . .
C10 C14 C15A C16A -177.5(11) . .
C14 C15A C16A F20 -163(2) . .
C14 C15A C16A C17 -3.3(17) . .
C18A C17 C16A C15A -1(3) . .
C16B C17 C16A C15A -79.1(15) . .
C18B C17 C16A C15A 41.6(16) . .
C20 C17 C16A C15A -177.3(11) . .
C18A C17 C16A F20 161(2) . .
C16B C17 C16A F20 83(2) . .
C18B C17 C16A F20 -156.6(18) . .
C20 C17 C16A F20 -15(3) . .
C16A C17 C18A C19A 3(4) . .
C16B C17 C18A C19A 42(4) . .
C18B C17 C18A C19A -80(3) . .
C20 C17 C18A C19A 180(3) . .
C16A C17 C18A F26 161(3) . .
C16B C17 C18A F26 -159(3) . .
C18B C17 C18A F26 79(3) . .
C20 C17 C18A F26 -22(4) . .
C17 C18A C19A C14 -2(5) . .
F26 C18A C19A C14 -162(3) . .
C15A C14 C19A C18A -2(4) . .
C19B C14 C19A C18A 80(3) . .
C15B C14 C19A C18A -40(3) . .
C10 C14 C19A C18A 180(3) . .
C18A C17 C20 O6B -11(3) . .
C16A C17 C20 O6B 165(2) . .
C16B C17 C20 O6B 119(2) . .
C18B C17 C20 O6B -60(2) . .
C18A C17 C20 O6A 53(3) . .
C16A C17 C20 O6A -130.0(19) . .
C16B C17 C20 O6A -176.1(13) . .
C18B C17 C20 O6A 5.0(19) . .
C18A C17 C20 O5A -124(2) . .
C16A C17 C20 O5A 53(2) . .
C16B C17 C20 O5A 6.5(19) . .
C18B C17 C20 O5A -172.4(13) . .
C18A C17 C20 O5B 158(2) . .
C16A C17 C20 O5B -26(2) . .
C16B C17 C20 O5B -71.8(15) . .
C18B C17 C20 O5B 109.3(13) . .
C21 C22A C23A C24 3.0(14) . .
C21 C22A C23A F3 -170.4(18) . .
C22A C23A C24 C25A -14(2) . .
F3 C23A C24 C25A 160(2) . .
C22A C23A C24 C23B -74.8(10) . .
F3 C23A C24 C23B 98.6(19) . .
C22A C23A C24 C25B 48.9(11) . .
F3 C23A C24 C25B -137.8(18) . .
C22A C23A C24 C27 175.8(9) . .
F3 C23A C24 C27 -11(2) . .
C25A C24 C23B C22B -56.0(8) . .
C23A C24 C23B C22B 73.1(7) . .
C25B C24 C23B C22B 0.0 . .
C27 C24 C23B C22B 179.1(8) . .
C24 C23B C22B C21 0.0 . .
C23A C22A C21 C26A 5.7(14) . .
C23A C22A C21 C22B 71.7(8) . .
C23A C22A C21 C26B -52.7(8) . .
C23A C22A C21 C12 -179.9(9) . .
C23B C22B C21 C26A 54.3(8) . .
C23B C22B C21 C22A -71.9(7) . .
C23B C22B C21 C26B 0.0 . .
C23B C22B C21 C12 -176.6(7) . .
C13 C12 C21 C26A -38.7(15) . .
C11 C12 C21 C26A 139.4(14) . .
C13 C12 C21 C22A 147.3(8) . .
C11 C12 C21 C22A -34.6(10) . .
C13 C12 C21 C22B -149.9(5) . .
C11 C12 C21 C22B 28.2(8) . .
C13 C12 C21 C26B 33.4(8) . .
C11 C12 C21 C26B -148.4(6) . .
C26A C21 C26B C25B -69.3(7) . .
C22A C21 C26B C25B 50.6(6) . .
C22B C21 C26B C25B 0.0 . .
C12 C21 C26B C25B 176.6(7) . .
C21 C26B C25B C24 0.0 . .
C25A C24 C25B C26B 68.1(7) . .
C23A C24 C25B C26B -50.3(7) . .
C23B C24 C25B C26B 0.0 . .
C27 C24 C25B C26B -179.2(8) . .
C23A C24 C25A F6 168(2) . .
C23B C24 C25A F6 -148(2) . .
C25B C24 C25A F6 86(2) . .
C27 C24 C25A F6 -22(3) . .
C23A C24 C25A C26A 16(3) . .
C23B C24 C25A C26A 60(2) . .
C25B C24 C25A C26A -66(2) . .
C27 C24 C25A C26A -173.7(19) . .
C22A C21 C26A C25A -4(3) . .
C22B C21 C26A C25A -52(2) . .
C26B C21 C26A C25A 74(2) . .
C12 C21 C26A C25A -177.8(18) . .
F6 C25A C26A C21 -161(2) . .
C24 C25A C26A C21 -7(4) . .
C25A C24 C27 O4 -43(2) . .
C23A C24 C27 O4 127.5(17) . .
C23B C24 C27 O4 64.3(16) . .
C25B C24 C27 O4 -116.5(14) . .
C25A C24 C27 O7B -105.3(17) . .
C23A C24 C27 O7B 64.9(15) . .
C23B C24 C27 O7B 1.8(13) . .
C25B C24 C27 O7B -179.1(8) . .
C25A C24 C27 O8B 63.7(17) . .
C23A C24 C27 O8B -126.1(13) . .
C23B C24 C27 O8B 170.8(8) . .
C25B C24 C27 O8B -10.1(11) . .
C25A C24 C27 O3 169.2(17) . .
C23A C24 C27 O3 -20.5(18) . .
C23B C24 C27 O3 -83.7(14) . .
C25B C24 C27 O3 95.5(13) . .
O9B C28 C29 C30B -44.9(9) . .
O9B C28 C29 C30B 135.1(9) 6_556 .
O9A C28 C29 C30B 68.3(17) . .
O9A C28 C29 C30B -111.7(17) 6_556 .
O9B C28 C29 C30B 135.1(9) . 6_556
O9B C28 C29 C30B -44.9(9) 6_556 6_556
O9A C28 C29 C30B -111.7(17) . 6_556
O9A C28 C29 C30B 68.3(17) 6_556 6_556
O9B C28 C29 C30A -125.1(16) . .
O9B C28 C29 C30A 54.9(16) 6_556 .
O9A C28 C29 C30A -12(2) . .
O9A C28 C29 C30A 168(2) 6_556 .
O9B C28 C29 C30A 54.9(16) . 6_556
O9B C28 C29 C30A -125.1(16) 6_556 6_556
O9A C28 C29 C30A 168(2) . 6_556
O9A C28 C29 C30A -12(2) 6_556 6_556
C30B C29 C30A F10 -98(3) . .
C30B C29 C30A F10 136(3) 6_556 .
C30A C29 C30A F10 -165(4) 6_556 .
C28 C29 C30A F10 15(4) . .
C30B C29 C30A C31A 64(2) . .
C30B C29 C30A C31A -62(2) 6_556 .
C30A C29 C30A C31A -2.7(19) 6_556 .
C28 C29 C30A C31A 177.3(19) . .
C30B C29 C30B C31B -1.5(9) 6_556 .
C30A C29 C30B C31B -68.7(12) . .
C30A C29 C30B C31B 57.7(13) 6_556 .
C28 C29 C30B C31B 178.5(9) . .
C30B C29 C30B F7 179.2(9) 6_556 .
C30A C29 C30B F7 111.9(11) . .
C30A C29 C30B F7 -121.6(11) 6_556 .
C28 C29 C30B F7 -0.8(9) . .
F10 C30A C31A C32 169(3) . .
C29 C30A C31A C32 5(4) . .
C29 C30B C31B C32 3.0(19) . .
F7 C30B C31B C32 -177.7(14) . .
C30B C31B C32 C31B -1.5(9) . 6_556
C30B C31B C32 C31A -60.2(13) . 6_556
C30B C31B C32 C31A 66.2(13) . .
C30B C31B C32 C33 178.5(9) . .
C30A C31A C32 C31B 56(2) . 6_556
C30A C31A C32 C31B -70(2) . .
C30A C31A C32 C31A -2.7(19) . 6_556
C30A C31A C32 C33 177.3(19) . .
C31B C32 C33 C34 142.0(10) 6_556 .
C31B C32 C33 C34 -38.0(10) . .
C31A C32 C33 C34 -139.0(12) 6_556 .
C31A C32 C33 C34 41.0(12) . .
C31B C32 C33 C34 -38.0(10) 6_556 6_556
C31B C32 C33 C34 142.0(10) . 6_556
C31A C32 C33 C34 41.0(12) 6_556 6_556
C31A C32 C33 C34 -139.0(12) . 6_556
C34 C33 C34 C33 0.0 6_556 3
C32 C33 C34 C33 180.0 . 3
O10B C35 C36 C37A 70(3) 6_556 6_556
O10B C35 C36 C37A -110(3) . 6_556
O10A C35 C36 C37A -147.4(19) . 6_556
O10A C35 C36 C37A 32.7(19) 6_556 6_556
O10B C35 C36 C37A -110(3) 6_556 .
O10B C35 C36 C37A 70(3) . .
O10A C35 C36 C37A 32.6(19) . .
O10A C35 C36 C37A -147.3(19) 6_556 .
O10B C35 C36 C37B 14(2) 6_556 6_556
O10B C35 C36 C37B -166(2) . 6_556
O10A C35 C36 C37B 156.9(12) . 6_556
O10A C35 C36 C37B -23.1(12) 6_556 6_556
O10B C35 C36 C37B -166(2) 6_556 .
O10B C35 C36 C37B 14(2) . .
O10A C35 C36 C37B -23.1(12) . .
O10A C35 C36 C37B 156.9(12) 6_556 .
C37A C36 C37A C38A -0.2(8) 6_556 .
C37B C36 C37A C38A 46.2(13) 6_556 .
C37B C36 C37A C38A -75.3(13) . .
C35 C36 C37A C38A 179.8(8) . .
C37A C36 C37B C38B -44.9(16) 6_556 .
C37A C36 C37B C38B 76.8(14) . .
C37B C36 C37B C38B 1.5(10) 6_556 .
C35 C36 C37B C38B -178.5(10) . .
C36 C37A C38A C39 0.5(16) . .
C36 C37B C38B C39 -3(2) . .
C37B C38B C39 C38B 1.5(10) . 6_556
C37B C38B C39 C38A -72.8(14) . .
C37B C38B C39 C38A 48.9(15) . 6_556
C37B C38B C39 C40 -178.5(10) . .
C37A C38A C39 C38B 74.6(12) . .
C37A C38A C39 C38B -47.7(13) . 6_556
C37A C38A C39 C38A -0.2(8) . 6_556
C37A C38A C39 C40 179.8(8) . .
C38B C39 C40 C41 -150.4(11) . 3_665
C38B C39 C40 C41 29.6(11) 6_556 3_665
C38A C39 C40 C41 152.1(17) . 3_665
C38A C39 C40 C41 -27.9(17) 6_556 3_665
C38B C39 C40 C41 29.6(11) . .
C38B C39 C40 C41 -150.4(11) 6_556 .
C38A C39 C40 C41 -27.9(17) . .
C38A C39 C40 C41 152.1(17) 6_556 .
C41 C40 C41 C40 0.0 3_665 2_655
C39 C40 C41 C40 180.0 . 2_655
O4 C27 O3 Zn2 39(2) . 11
O7B C27 O3 Zn2 75.2(18) . 11
O8B C27 O3 Zn2 -52.8(19) . 11
C24 C27 O3 Zn2 -173.3(13) . 11
O3B C1 O3A Zn2 -75.6(19) . .
O4B C1 O3A Zn2 61(2) . .
O4A C1 O3A Zn2 -29(3) . .
C2 C1 O3A Zn2 179.4(13) . .
O3A C1 O3B Zn3 74.9(14) . 6_556
O4B C1 O3B Zn3 18(2) . 6_556
O4A C1 O3B Zn3 -66.3(14) . 6_556
C2 C1 O3B Zn3 -175.2(7) . 6_556
O7B C27 O4 Zn4 -86.6(17) . 11
O8B C27 O4 Zn4 45.7(19) . 11
O3 C27 O4 Zn4 -43(2) . 11
C24 C27 O4 Zn4 166.6(12) . 11
O3A C1 O4A Zn4 33(3) . 6_556
O3B C1 O4A Zn4 74.2(17) . 6_556
O4B C1 O4A Zn4 -52.1(19) . 6_556
C2 C1 O4A Zn4 -173.8(13) . 6_556
O3A C1 O4B Zn1 -63.6(14) . .
O3B C1 O4B Zn1 -15.6(18) . .
O4A C1 O4B Zn1 60.0(13) . .
C2 C1 O4B Zn1 177.6(6) . .
O6B C20 O5A Zn5 58.2(19) . .
O6A C20 O5A Zn5 5(2) . .
O5B C20 O5A Zn5 -79.0(14) . .
C17 C20 O5A Zn5 -177.7(10) . .
O6B C20 O5A Zn6 26.1(14) . .
O6A C20 O5A Zn6 -27.2(14) . .
O5B C20 O5A Zn6 -111.2(9) . .
C17 C20 O5A Zn6 150.1(13) . .
O6B C20 O5A Zn6 105.0(14) . 3_665
O6A C20 O5A Zn6 51.7(14) . 3_665
O5B C20 O5A Zn6 -32.3(9) . 3_665
C17 C20 O5A Zn6 -130.9(12) . 3_665
O6B C20 O5B Zn6 -12(3) . 3_665
O6A C20 O5B Zn6 -58.4(17) . 3_665
O5A C20 O5B Zn6 58.6(14) . 3_665
C17 C20 O5B Zn6 -178.1(11) . 3_665
O6B C20 O6A Zn6 -91(2) . 5_655
O5A C20 O6A Zn6 -19(3) . 5_655
O5B C20 O6A Zn6 50(2) . 5_655
C17 C20 O6A Zn6 163.5(13) . 5_655
O6B C20 O6A Zn6 -42.5(11) . .
O5A C20 O6A Zn6 29.9(14) . .
O5B C20 O6A Zn6 99.2(10) . .
C17 C20 O6A Zn6 -147.8(10) . .
O6A C20 O6B Zn6 77.7(18) . .
O5A C20 O6B Zn6 -44(2) . .
O5B C20 O6B Zn6 18(4) . .
C17 C20 O6B Zn6 -176.1(11) . .
O4 C27 O7B Zn1 77.5(12) . 11
O8B C27 O7B Zn1 12.9(16) . 11
O3 C27 O7B Zn1 -61.2(11) . 11
C24 C27 O7B Zn1 -179.2(6) . 11
O4 C27 O8B Zn3 -63.0(14) . 11
O7B C27 O8B Zn3 -14.9(18) . 11
O3 C27 O8B Zn3 51.5(13) . 11
C24 C27 O8B Zn3 177.1(6) . 11
O9B C28 O9A Zn2 -55(3) . .
O9B C28 O9A Zn2 82(3) 6_556 .
O9A C28 O9A Zn2 3(2) 6_556 .
C29 C28 O9A Zn2 -177(2) . .
O9B C28 O9B Zn3 -2.7(6) 6_556 .
O9A C28 O9B Zn3 48.9(14) . .
O9A C28 O9B Zn3 -68.7(14) 6_556 .
C29 C28 O9B Zn3 177.3(6) . .
O10B C35 O10A Zn1 -21(2) 6_556 .
O10B C35 O10A Zn1 106(6) . .
O10A C35 O10A Zn1 17.0(8) 6_556 .
C36 C35 O10A Zn1 -163.0(8) . .
O10B C35 O10B Zn4 -17(2) 6_556 .
O10A C35 O10B Zn4 -91(6) . .
O10A C35 O10B Zn4 19(4) 6_556 .
C36 C35 O10B Zn4 163(2) . .
C1 O4B Zn1 O1 -4.3(11) . .
C1 O4B Zn1 O7B 127.8(10) . 11_556
C1 O4B Zn1 O10A -120.9(11) . .
C1 O4B Zn1 Zn1 -42.3(11) . 6_556
Zn1 O1 Zn1 O4B -102.7(3) 6_556 .
Zn2 O1 Zn1 O4B 173.4(9) 6_556 .
Zn2 O1 Zn1 O4B 60.6(3) . .
Zn3 O1 Zn1 O4B 18.5(4) 6_556 .
Zn3 O1 Zn1 O4B 136.2(3) . .
Zn4 O1 Zn1 O4B -54.5(3) 6_556 .
Zn4 O1 Zn1 O4B -166.4(3) . .
Zn1 O1 Zn1 O7B 127.6(3) 6_556 11_556
Zn2 O1 Zn1 O7B 43.6(10) 6_556 11_556
Zn2 O1 Zn1 O7B -69.2(3) . 11_556
Zn3 O1 Zn1 O7B -111.2(3) 6_556 11_556
Zn3 O1 Zn1 O7B 6.4(3) . 11_556
Zn4 O1 Zn1 O7B 175.8(3) 6_556 11_556
Zn4 O1 Zn1 O7B 63.9(3) . 11_556
Zn1 O1 Zn1 O10A 9.6(6) 6_556 .
Zn2 O1 Zn1 O10A -74.3(11) 6_556 .
Zn2 O1 Zn1 O10A 172.9(6) . .
Zn3 O1 Zn1 O10A 130.8(6) 6_556 .
Zn3 O1 Zn1 O10A -111.5(6) . .
Zn4 O1 Zn1 O10A 57.9(6) 6_556 .
Zn4 O1 Zn1 O10A -54.0(6) . .
Zn2 O1 Zn1 Zn1 -84.0(10) 6_556 6_556
Zn2 O1 Zn1 Zn1 163.25(11) . 6_556
Zn3 O1 Zn1 Zn1 121.19(15) 6_556 6_556
Zn3 O1 Zn1 Zn1 -121.14(15) . 6_556
Zn4 O1 Zn1 Zn1 48.21(13) 6_556 6_556
Zn4 O1 Zn1 Zn1 -63.69(13) . 6_556
C35 O10A Zn1 O4B 89.0(12) . .
C35 O10A Zn1 O1 -30.3(14) . .
C35 O10A Zn1 O7B -154.9(12) . 11_556
C35 O10A Zn1 Zn1 -24.6(11) . 6_556
C28 O9A Zn2 O3A -134(3) . .
C28 O9A Zn2 O1 -5(3) . .
C28 O9A Zn2 O3 105(3) . 11_556
C1 O3A Zn2 O9A 134(2) . .
C1 O3A Zn2 O1 8(3) . .
C1 O3A Zn2 O3 -109(2) . 11_556
Zn1 O1 Zn2 O9A -104.7(14) 6_556 .
Zn1 O1 Zn2 O9A 165.3(11) . .
Zn2 O1 Zn2 O9A 1.5(11) 6_556 .
Zn3 O1 Zn2 O9A -62.6(11) 6_556 .
Zn3 O1 Zn2 O9A 51.6(11) . .
Zn4 O1 Zn2 O9A -122.3(11) 6_556 .
Zn4 O1 Zn2 O9A 126.0(11) . .
Zn1 O1 Zn2 O3A 25.5(13) 6_556 .
Zn1 O1 Zn2 O3A -64.5(9) . .
Zn2 O1 Zn2 O3A 131.6(9) 6_556 .
Zn3 O1 Zn2 O3A 67.5(9) 6_556 .
Zn3 O1 Zn2 O3A -178.2(9) . .
Zn4 O1 Zn2 O3A 7.8(9) 6_556 .
Zn4 O1 Zn2 O3A -103.9(9) . .
Zn1 O1 Zn2 O3 146.8(11) 6_556 11_556
Zn1 O1 Zn2 O3 56.8(6) . 11_556
Zn2 O1 Zn2 O3 -107.0(6) 6_556 11_556
Zn3 O1 Zn2 O3 -171.1(6) 6_556 11_556
Zn3 O1 Zn2 O3 -56.9(6) . 11_556
Zn4 O1 Zn2 O3 129.2(6) 6_556 11_556
Zn4 O1 Zn2 O3 17.5(6) . 11_556
C28 O9B Zn3 O3B 133.3(9) . 6_556
C28 O9B Zn3 O8B -110.7(9) . 11_556
C28 O9B Zn3 O1 4.8(11) . .
Zn1 O1 Zn3 O9B 117.5(4) 6_556 .
Zn1 O1 Zn3 O9B -120.8(4) . .
Zn2 O1 Zn3 O9B 70.2(4) 6_556 .
Zn2 O1 Zn3 O9B -55.9(4) . .
Zn3 O1 Zn3 O9B -1.7(4) 6_556 .
Zn4 O1 Zn3 O9B 102.3(10) 6_556 .
Zn4 O1 Zn3 O9B -166.2(4) . .
Zn1 O1 Zn3 O3B -17.0(4) 6_556 6_556
Zn1 O1 Zn3 O3B 104.7(4) . 6_556
Zn2 O1 Zn3 O3B -64.2(4) 6_556 6_556
Zn2 O1 Zn3 O3B 169.6(4) . 6_556
Zn3 O1 Zn3 O3B -136.1(4) 6_556 6_556
Zn4 O1 Zn3 O3B -32.1(10) 6_556 6_556
Zn4 O1 Zn3 O3B 59.3(4) . 6_556
Zn1 O1 Zn3 O8B -127.3(3) 6_556 11_556
Zn1 O1 Zn3 O8B -5.5(3) . 11_556
Zn2 O1 Zn3 O8B -174.5(3) 6_556 11_556
Zn2 O1 Zn3 O8B 59.4(3) . 11_556
Zn3 O1 Zn3 O8B 113.6(2) 6_556 11_556
Zn4 O1 Zn3 O8B -142.4(9) 6_556 11_556
Zn4 O1 Zn3 O8B -51.0(3) . 11_556
C35 O10B Zn4 O4 157(3) . 11_556
C35 O10B Zn4 O4A -87(3) . 6_556
C35 O10B Zn4 O1 31(4) . .
C35 O10B Zn4 Zn4 25(3) . 6_556
Zn1 O1 Zn4 O4 177.4(7) 6_556 11_556
Zn1 O1 Zn4 O4 -60.5(7) . 11_556
Zn2 O1 Zn4 O4 113.8(7) 6_556 11_556
Zn2 O1 Zn4 O4 -14.7(8) . 11_556
Zn3 O1 Zn4 O4 -43.1(12) 6_556 11_556
Zn3 O1 Zn4 O4 65.0(7) . 11_556
Zn4 O1 Zn4 O4 -131.0(8) 6_556 11_556
Zn1 O1 Zn4 O4A 57.8(6) 6_556 6_556
Zn1 O1 Zn4 O4A 179.9(7) . 6_556
Zn2 O1 Zn4 O4A -5.8(7) 6_556 6_556
Zn2 O1 Zn4 O4A -134.3(6) . 6_556
Zn3 O1 Zn4 O4A -162.7(11) 6_556 6_556
Zn3 O1 Zn4 O4A -54.6(6) . 6_556
Zn4 O1 Zn4 O4A 109.5(6) 6_556 6_556
Zn1 O1 Zn4 O10B -62.0(16) 6_556 .
Zn1 O1 Zn4 O10B 60.1(16) . .
Zn2 O1 Zn4 O10B -125.6(16) 6_556 .
Zn2 O1 Zn4 O10B 105.9(16) . .
Zn3 O1 Zn4 O10B 77.5(18) 6_556 .
Zn3 O1 Zn4 O10B -174.4(16) . .
Zn4 O1 Zn4 O10B -10.4(16) 6_556 .
Zn1 O1 Zn4 Zn4 -51.61(11) 6_556 6_556
Zn1 O1 Zn4 Zn4 70.45(11) . 6_556
Zn2 O1 Zn4 Zn4 -115.25(19) 6_556 6_556
Zn2 O1 Zn4 Zn4 116.23(19) . 6_556
Zn3 O1 Zn4 Zn4 87.9(9) 6_556 6_556
Zn3 O1 Zn4 Zn4 -164.07(11) . 6_556
Zn5 O2 Zn5 O5A 82(4) 4_665 .
Zn6 O2 Zn5 O5A -135.3(4) 4_665 .
Zn6 O2 Zn5 O5A -15.3(4) 5_655 .
Zn6 O2 Zn5 O5A -178.5(4) 2_655 .
Zn6 O2 Zn5 O5A -58.5(4) . .
Zn6 O2 Zn5 O5A 104.7(4) 6 .
Zn6 O2 Zn5 O5A 61.5(4) 3_665 .
Zn5 O2 Zn5 O5A -158(4) 4_665 2_655
Zn6 O2 Zn5 O5A -15.3(4) 4_665 2_655
Zn6 O2 Zn5 O5A 104.7(4) 5_655 2_655
Zn6 O2 Zn5 O5A -58.5(4) 2_655 2_655
Zn6 O2 Zn5 O5A 61.5(4) . 2_655
Zn6 O2 Zn5 O5A -135.3(4) 6 2_655
Zn6 O2 Zn5 O5A -178.5(4) 3_665 2_655
Zn5 O2 Zn5 O5A -38(4) 4_665 3_665
Zn6 O2 Zn5 O5A 104.7(4) 4_665 3_665
Zn6 O2 Zn5 O5A -135.3(4) 5_655 3_665
Zn6 O2 Zn5 O5A 61.5(4) 2_655 3_665
Zn6 O2 Zn5 O5A -178.5(4) . 3_665
Zn6 O2 Zn5 O5A -15.3(4) 6 3_665
Zn6 O2 Zn5 O5A -58.5(4) 3_665 3_665
Zn5 O2 Zn5 Zn6 -99(4) 4_665 2_655
Zn6 O2 Zn5 Zn6 43.19(12) 4_665 2_655
Zn6 O2 Zn5 Zn6 163.20(12) 5_655 2_655
Zn6 O2 Zn5 Zn6 120.0 . 2_655
Zn6 O2 Zn5 Zn6 -76.81(12) 6 2_655
Zn6 O2 Zn5 Zn6 -120.0 3_665 2_655
Zn5 O2 Zn5 Zn6 141(4) 4_665 .
Zn6 O2 Zn5 Zn6 -76.82(12) 4_665 .
Zn6 O2 Zn5 Zn6 43.19(12) 5_655 .
Zn6 O2 Zn5 Zn6 -120.0 2_655 .
Zn6 O2 Zn5 Zn6 163.19(12) 6 .
Zn6 O2 Zn5 Zn6 120.003(1) 3_665 .
Zn5 O2 Zn5 Zn6 21(4) 4_665 3_665
Zn6 O2 Zn5 Zn6 163.18(12) 4_665 3_665
Zn6 O2 Zn5 Zn6 -76.81(12) 5_655 3_665
Zn6 O2 Zn5 Zn6 120.0 2_655 3_665
Zn6 O2 Zn5 Zn6 -120.003(1) . 3_665
Zn6 O2 Zn5 Zn6 43.18(12) 6 3_665
C20 O5A Zn5 O2 11.2(15) . .
Zn6 O5A Zn5 O2 52.1(3) . .
Zn6 O5A Zn5 O2 -53.7(2) 3_665 .
C20 O5A Zn5 O5A -113.4(16) . 2_655
Zn6 O5A Zn5 O5A -72.5(5) . 2_655
Zn6 O5A Zn5 O5A -178.3(4) 3_665 2_655
C20 O5A Zn5 O5A 135.8(14) . 3_665
Zn6 O5A Zn5 O5A 176.7(4) . 3_665
Zn6 O5A Zn5 O5A 70.9(4) 3_665 3_665
C20 O5A Zn5 Zn6 -13(8) . 2_655
Zn6 O5A Zn5 Zn6 28(7) . 2_655
Zn6 O5A Zn5 Zn6 -77(7) 3_665 2_655
C20 O5A Zn5 Zn6 -40.9(13) . .
Zn6 O5A Zn5 Zn6 -105.75(18) 3_665 .
C20 O5A Zn5 Zn6 64.9(13) . 3_665
Zn6 O5A Zn5 Zn6 105.75(18) . 3_665
C20 O6B Zn6 O5B 115(2) . 2_655
C20 O6B Zn6 O6A -135(2) . 5_655
C20 O6B Zn6 O2 -25(3) . .
C20 O6B Zn6 Zn5 25(3) . .
C20 O6B Zn6 Zn6 -73(2) . 5_655
C20 O6B Zn6 O6A -61.7(15) . .
C20 O6B Zn6 O5A 30.3(17) . .
C20 O6B Zn6 O5A 74(3) . 2_655
C20 O6B Zn6 Zn6 -56(4) . 4_665
C20 O6B Zn6 Zn6 20(3) . 2_655
C20 O6B Zn6 Zn6 -11(2) . 3_665
Zn5 O2 Zn6 O6B 75.7(10) . .
Zn5 O2 Zn6 O6B -104.3(10) 4_665 .
Zn6 O2 Zn6 O6B -165.8(10) 4_665 .
Zn6 O2 Zn6 O6B -61.7(10) 5_655 .
Zn6 O2 Zn6 O6B 129.0(10) 2_655 .
Zn6 O2 Zn6 O6B -18.0(10) 6 .
Zn6 O2 Zn6 O6B 22.4(10) 3_665 .
Zn5 O2 Zn6 O5B -68.5(6) . 2_655
Zn5 O2 Zn6 O5B 111.5(6) 4_665 2_655
Zn6 O2 Zn6 O5B 50.0(6) 4_665 2_655
Zn6 O2 Zn6 O5B 154.1(6) 5_655 2_655
Zn6 O2 Zn6 O5B -15.2(6) 2_655 2_655
Zn6 O2 Zn6 O5B -162.1(6) 6 2_655
Zn6 O2 Zn6 O5B -121.8(6) 3_665 2_655
Zn5 O2 Zn6 O6A -172.0(4) . 5_655
Zn5 O2 Zn6 O6A 8.0(4) 4_665 5_655
Zn6 O2 Zn6 O6A -53.5(4) 4_665 5_655
Zn6 O2 Zn6 O6A 50.6(4) 5_655 5_655
Zn6 O2 Zn6 O6A -118.7(4) 2_655 5_655
Zn6 O2 Zn6 O6A 94.4(4) 6 5_655
Zn6 O2 Zn6 O6A 134.7(4) 3_665 5_655
Zn5 O2 Zn6 Zn5 180.0 4_665 .
Zn6 O2 Zn6 Zn5 118.51(7) 4_665 .
Zn6 O2 Zn6 Zn5 -137.41(10) 5_655 .
Zn6 O2 Zn6 Zn5 53.28(5) 2_655 .
Zn6 O2 Zn6 Zn5 -93.64(3) 6 .
Zn6 O2 Zn6 Zn5 -53.28(5) 3_665 .
Zn5 O2 Zn6 Zn6 137.41(10) . 5_655
Zn5 O2 Zn6 Zn6 -42.59(10) 4_665 5_655
Zn6 O2 Zn6 Zn6 -104.08(11) 4_665 5_655
Zn6 O2 Zn6 Zn6 -169.31(9) 2_655 5_655
Zn6 O2 Zn6 Zn6 43.77(8) 6 5_655
Zn6 O2 Zn6 Zn6 84.13(14) 3_665 5_655
Zn5 O2 Zn6 O6A 94.4(3) . .
Zn5 O2 Zn6 O6A -85.6(3) 4_665 .
Zn6 O2 Zn6 O6A -147.1(3) 4_665 .
Zn6 O2 Zn6 O6A -43.1(3) 5_655 .
Zn6 O2 Zn6 O6A 147.6(3) 2_655 .
Zn6 O2 Zn6 O6A 0.7(3) 6 .
Zn6 O2 Zn6 O6A 41.1(3) 3_665 .
Zn5 O2 Zn6 O5A 38.6(3) . .
Zn5 O2 Zn6 O5A -141.4(3) 4_665 .
Zn6 O2 Zn6 O5A 157.1(3) 4_665 .
Zn6 O2 Zn6 O5A -98.8(3) 5_655 .
Zn6 O2 Zn6 O5A 91.9(3) 2_655 .
Zn6 O2 Zn6 O5A -55.0(3) 6 .
Zn6 O2 Zn6 O5A -14.7(3) 3_665 .
Zn5 O2 Zn6 O5A -38.9(3) . 2_655
Zn5 O2 Zn6 O5A 141.1(3) 4_665 2_655
Zn6 O2 Zn6 O5A 79.6(3) 4_665 2_655
Zn6 O2 Zn6 O5A -176.3(3) 5_655 2_655
Zn6 O2 Zn6 O5A 14.3(3) 2_655 2_655
Zn6 O2 Zn6 O5A -132.6(3) 6 2_655
Zn6 O2 Zn6 O5A -92.2(3) 3_665 2_655
Zn5 O2 Zn6 Zn6 -118.51(7) . 4_665
Zn5 O2 Zn6 Zn6 61.49(7) 4_665 4_665
Zn6 O2 Zn6 Zn6 104.08(11) 5_655 4_665
Zn6 O2 Zn6 Zn6 -65.23(12) 2_655 4_665
Zn6 O2 Zn6 Zn6 147.85(6) 6 4_665
Zn6 O2 Zn6 Zn6 -171.79(5) 3_665 4_665
Zn5 O2 Zn6 Zn6 -53.28(5) . 2_655
Zn5 O2 Zn6 Zn6 126.73(5) 4_665 2_655
Zn6 O2 Zn6 Zn6 65.23(12) 4_665 2_655
Zn6 O2 Zn6 Zn6 169.31(9) 5_655 2_655
Zn6 O2 Zn6 Zn6 -146.91(5) 6 2_655
Zn6 O2 Zn6 Zn6 -106.56(11) 3_665 2_655
Zn5 O2 Zn6 Zn6 53.28(5) . 3_665
Zn5 O2 Zn6 Zn6 -126.72(5) 4_665 3_665
Zn6 O2 Zn6 Zn6 171.79(5) 4_665 3_665
Zn6 O2 Zn6 Zn6 -84.13(14) 5_655 3_665
Zn6 O2 Zn6 Zn6 106.56(11) 2_655 3_665
Zn6 O2 Zn6 Zn6 -40.36(7) 6 3_665
O2 Zn5 Zn6 O6B -121.3(8) . .
O5A Zn5 Zn6 O6B 4.7(10) . .
O5A Zn5 Zn6 O6B 114.3(9) 2_655 .
O5A Zn5 Zn6 O6B -97(8) 3_665 .
Zn6 Zn5 Zn6 O6B -173.7(8) 2_655 .
Zn6 Zn5 Zn6 O6B -69.0(8) 3_665 .
O2 Zn5 Zn6 O5B 118.2(5) . 2_655
O5A Zn5 Zn6 O5B -115.7(7) . 2_655
O5A Zn5 Zn6 O5B -6.2(6) 2_655 2_655
O5A Zn5 Zn6 O5B 143(7) 3_665 2_655
Zn6 Zn5 Zn6 O5B 65.9(5) 2_655 2_655
Zn6 Zn5 Zn6 O5B 170.6(5) 3_665 2_655
O2 Zn5 Zn6 O6A 16.2(9) . 5_655
O5A Zn5 Zn6 O6A 142.3(10) . 5_655
O5A Zn5 Zn6 O6A -108.2(10) 2_655 5_655
O5A Zn5 Zn6 O6A 41(8) 3_665 5_655
Zn6 Zn5 Zn6 O6A -36.1(9) 2_655 5_655
Zn6 Zn5 Zn6 O6A 68.6(9) 3_665 5_655
O5A Zn5 Zn6 O2 126.1(4) . .
O5A Zn5 Zn6 O2 -124.4(3) 2_655 .
O5A Zn5 Zn6 O2 25(7) 3_665 .
Zn6 Zn5 Zn6 O2 -52.35(9) 2_655 .
Zn6 Zn5 Zn6 O2 52.35(9) 3_665 .
O2 Zn5 Zn6 Zn6 -35.07(7) . 5_655
O5A Zn5 Zn6 Zn6 91.0(4) . 5_655
O5A Zn5 Zn6 Zn6 -159.5(3) 2_655 5_655
O5A Zn5 Zn6 Zn6 -10(7) 3_665 5_655
Zn6 Zn5 Zn6 Zn6 -87.42(9) 2_655 5_655
Zn6 Zn5 Zn6 Zn6 17.29(13) 3_665 5_655
O2 Zn5 Zn6 O6A -88.9(3) . .
O5A Zn5 Zn6 O6A 37.1(5) . .
O5A Zn5 Zn6 O6A 146.7(5) 2_655 .
O5A Zn5 Zn6 O6A -64(7) 3_665 .
Zn6 Zn5 Zn6 O6A -141.3(3) 2_655 .
Zn6 Zn5 Zn6 O6A -36.6(3) 3_665 .
O2 Zn5 Zn6 O5A -126.1(4) . .
O5A Zn5 Zn6 O5A 109.5(5) 2_655 .
O5A Zn5 Zn6 O5A -102(7) 3_665 .
Zn6 Zn5 Zn6 O5A -178.4(4) 2_655 .
Zn6 Zn5 Zn6 O5A -73.7(4) 3_665 .
O2 Zn5 Zn6 O5A 124.4(3) . 2_655
O5A Zn5 Zn6 O5A -109.5(5) . 2_655
O5A Zn5 Zn6 O5A 149(7) 3_665 2_655
Zn6 Zn5 Zn6 O5A 72.0(3) 2_655 2_655
Zn6 Zn5 Zn6 O5A 176.7(4) 3_665 2_655
O2 Zn5 Zn6 Zn6 39.09(5) . 4_665
O5A Zn5 Zn6 Zn6 165.2(4) . 4_665
O5A Zn5 Zn6 Zn6 -85.3(3) 2_655 4_665
O5A Zn5 Zn6 Zn6 64(7) 3_665 4_665
Zn6 Zn5 Zn6 Zn6 -13.26(11) 2_655 4_665
Zn6 Zn5 Zn6 Zn6 91.45(10) 3_665 4_665
O2 Zn5 Zn6 Zn6 52.35(9) . 2_655
O5A Zn5 Zn6 Zn6 178.4(4) . 2_655
O5A Zn5 Zn6 Zn6 -72.0(3) 2_655 2_655
O5A Zn5 Zn6 Zn6 77(7) 3_665 2_655
Zn6 Zn5 Zn6 Zn6 104.70(18) 3_665 2_655
O2 Zn5 Zn6 Zn6 -52.35(9) . 3_665
O5A Zn5 Zn6 Zn6 73.7(4) . 3_665
O5A Zn5 Zn6 Zn6 -176.7(4) 2_655 3_665
O5A Zn5 Zn6 Zn6 -28(7) 3_665 3_665
Zn6 Zn5 Zn6 Zn6 -104.70(18) 2_655 3_665
C20 O6A Zn6 O6B 45.5(12) . .
Zn6 O6A Zn6 O6B -166.2(17) 5_655 .
C20 O6A Zn6 O5B 39(2) . 2_655
Zn6 O6A Zn6 O5B -172.4(13) 5_655 2_655
C20 O6A Zn6 O6A 157.5(9) . 5_655
Zn6 O6A Zn6 O6A -54.2(5) 5_655 5_655
C20 O6A Zn6 O2 -102.9(9) . .
Zn6 O6A Zn6 O2 45.4(3) 5_655 .
C20 O6A Zn6 Zn5 -50.9(10) . .
Zn6 O6A Zn6 Zn5 97.4(3) 5_655 .
C20 O6A Zn6 Zn6 -148.3(11) . 5_655
C20 O6A Zn6 O5A -16.7(8) . .
Zn6 O6A Zn6 O5A 131.6(6) 5_655 .
C20 O6A Zn6 O5A -15.9(14) . 2_655
Zn6 O6A Zn6 O5A 132.4(4) 5_655 2_655
C20 O6A Zn6 Zn6 -132.2(8) . 4_665
Zn6 O6A Zn6 Zn6 16.1(5) 5_655 4_665
C20 O6A Zn6 Zn6 -79.3(10) . 2_655
Zn6 O6A Zn6 Zn6 69.0(4) 5_655 2_655
C20 O6A Zn6 Zn6 -75.7(9) . 3_665
Zn6 O6A Zn6 Zn6 72.5(3) 5_655 3_665
C20 O5A Zn6 O6B -23.7(13) . .
Zn5 O5A Zn6 O6B -173.6(13) . .
Zn6 O5A Zn6 O6B -122.3(12) 3_665 .
C20 O5A Zn6 O5B -140.3(7) . 2_655
Zn5 O5A Zn6 O5B 69.8(5) . 2_655
Zn6 O5A Zn6 O5B 121.1(5) 3_665 2_655
C20 O5A Zn6 O6A 5.3(13) . 5_655
Zn5 O5A Zn6 O6A -144.5(7) . 5_655
Zn6 O5A Zn6 O6A -93.2(8) 3_665 5_655
C20 O5A Zn6 O2 110.3(8) . .
Zn5 O5A Zn6 O2 -39.6(2) . .
Zn6 O5A Zn6 O2 11.7(2) 3_665 .
C20 O5A Zn6 Zn5 149.9(10) . .
Zn6 O5A Zn6 Zn5 51.3(2) 3_665 .
C20 O5A Zn6 Zn6 53.7(8) . 5_655
Zn5 O5A Zn6 Zn6 -96.1(3) . 5_655
Zn6 O5A Zn6 Zn6 -44.8(2) 3_665 5_655
C20 O5A Zn6 O6A 16.4(8) . .
Zn5 O5A Zn6 O6A -133.4(7) . .
Zn6 O5A Zn6 O6A -82.1(5) 3_665 .
C20 O5A Zn6 O5A -162.9(9) . 2_655
Zn5 O5A Zn6 O5A 47.2(3) . 2_655
Zn6 O5A Zn6 O5A 98.5(3) 3_665 2_655
C20 O5A Zn6 Zn6 131.0(8) . 4_665
Zn5 O5A Zn6 Zn6 -18.9(5) . 4_665
Zn6 O5A Zn6 Zn6 32.4(4) 3_665 4_665
C20 O5A Zn6 Zn6 148.9(8) . 2_655
Zn5 O5A Zn6 Zn6 -1.0(3) . 2_655
Zn6 O5A Zn6 Zn6 50.3(2) 3_665 2_655
C20 O5A Zn6 Zn6 98.5(8) . 3_665
Zn5 O5A Zn6 Zn6 -51.3(2) . 3_665
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 -0.009 -0.005 -0.001 26758 6923 ' '
