#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:29:25 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179450 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/47/4334762.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_4334762
loop_
_publ_author_name
'A. L. Johnson'
'A. J. Kingsley'
'G. Kociok-Köhn'
'K. C. Molloy'
'A. L. Sudlow'
_publ_section_title
;
 Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and
 Materials Chemistry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5515
_journal_page_last               5526
_journal_paper_doi               10.1021/ic400420h
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C40 H10 F60 O26 Zn9'
_chemical_formula_sum            'C40 H10 F60 O26 Zn9'
_chemical_formula_weight         2634.81
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.5530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1556(5)
_cell_length_b                   17.4860(5)
_cell_length_c                   23.4712(5)
_cell_measurement_reflns_used    116989
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     7639.6(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;
 DENZO-SCALEPACK Z. Otwinowski and W. Minor, " 
 Processing of x-ray Diffraction Data Collected in Oscillation Mode ", 
 Methods in Enzymology, Volume 276: Macromolecular Crystallography, 
 part A, p.307-326, 1997,C.W. Carter, Jr. & R. M. Sweet, Eds., Academic Press.
;
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 Sheldrick GM (2008) Acta Crystallogr A64:112--122 and 
 C. B. Hübschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution
; 
 SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. , 
 Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. 
 (1999) J. Appl. Cryst. 32, 115-119
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '625 1.0 degree images with φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1223
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            65172
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.68
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.992
_exptl_absorpt_correction_T_max  0.8648
_exptl_absorpt_correction_T_min  0.6624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.291
_exptl_crystal_description       block
_exptl_crystal_F_000             5072
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         8731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1310
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+44.6991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                4916
_reflns_number_total             8731
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400420h_si_001_3.cif
_cod_data_source_block           h12kcm1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4334762
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.5000 0.5000 0.5000 0.0345(2) Uani 1 2 d S . .
Zn2 Zn 0.35179(3) 0.41180(4) 0.49044(3) 0.04062(18) Uani 1 1 d . A .
Zn3 Zn 0.36195(3) 0.59247(4) 0.50945(3) 0.03843(18) Uani 1 1 d . . .
Zn4 Zn 0.36763(3) 0.51935(4) 0.38747(3) 0.03923(18) Uani 1 1 d . . .
Zn5 Zn 0.20673(4) 0.54127(5) 0.28264(3) 0.0592(2) Uani 1 1 d . A .
O1 O 0.52433(19) 0.4052(2) 0.56468(17) 0.0429(9) Uani 1 1 d . . .
O2 O 0.4208(2) 0.3432(2) 0.54836(18) 0.0499(11) Uani 1 1 d . . .
O3 O 0.46585(19) 0.4257(2) 0.41970(17) 0.0449(10) Uani 1 1 d . . .
O4 O 0.56230(19) 0.3599(2) 0.42152(17) 0.0456(10) Uani 1 1 d . . .
O5 O 0.2989(2) 0.3529(2) 0.41454(19) 0.0496(10) Uani 1 1 d . . .
O6 O 0.27538(19) 0.4505(2) 0.34788(18) 0.0473(10) Uani 1 1 d . . .
O7 O 0.2707(2) 0.4362(3) 0.5134(2) 0.0555(11) Uani 1 1 d . . .
O8 O 0.2761(2) 0.5642(3) 0.5244(2) 0.0559(12) Uani 1 1 d . . .
O9 O 0.3209(2) 0.6753(2) 0.44829(17) 0.0465(10) Uani 1 1 d . . .
O10 O 0.28624(19) 0.6025(2) 0.36375(17) 0.0433(10) Uani 1 1 d . . .
O11 O 0.2744(2) 0.5432(4) 0.24159(19) 0.0784(16) Uani 1 1 d . . .
O12 O 0.3863(2) 0.5268(3) 0.31255(17) 0.0549(12) Uani 1 1 d . . .
O13 O 0.39377(17) 0.50543(19) 0.47540(15) 0.0316(8) Uani 1 1 d . . .
C1 C 0.4877(3) 0.3526(4) 0.5736(3) 0.0447(15) Uani 1 1 d . . .
C2 C 0.5264(3) 0.2875(4) 0.6182(3) 0.0516(17) Uani 1 1 d . . .
C3 C 0.5251(4) 0.2119(4) 0.5867(4) 0.066(2) Uani 1 1 d . . .
C4 C 0.4969(3) 0.3757(3) 0.4012(2) 0.0425(14) Uani 1 1 d . . .
C5 C 0.4497(3) 0.3215(4) 0.3490(3) 0.0484(16) Uani 1 1 d . . .
C6 C 0.4417(4) 0.2433(4) 0.3735(4) 0.0644(19) Uani 1 1 d . . .
C7 C 0.2678(3) 0.3832(4) 0.3638(3) 0.0454(15) Uani 1 1 d . . .
C8 C 0.2119(4) 0.3326(4) 0.3139(3) 0.0581(18) Uani 1 1 d . . .
C9 C 0.1453(4) 0.3164(5) 0.3266(4) 0.069(2) Uani 1 1 d . . .
C10 C 0.2487(3) 0.5007(5) 0.5222(3) 0.0545(18) Uani 1 1 d . . .
C11 C 0.1752(4) 0.5005(5) 0.5290(4) 0.076(2) Uani 1 1 d . . .
C12 C 0.1156(5) 0.5290(10) 0.4758(6) 0.123(5) Uani 1 1 d . . .
C13 C 0.2876(3) 0.6633(3) 0.3929(3) 0.0409(14) Uani 1 1 d . . .
C14 C 0.2413(3) 0.7308(4) 0.3554(3) 0.0514(16) Uani 1 1 d . . .
C15 C 0.1761(4) 0.7458(4) 0.3714(3) 0.0595(18) Uani 1 1 d . . .
C16 C 0.3423(9) 0.5527(18) 0.2610(8) 0.040(5) Uani 0.54(5) 1 d P A 1
C17 C 0.3724(10) 0.5662(13) 0.2106(12) 0.059(6) Uani 0.54(5) 1 d P A 1
C18 C 0.3839(13) 0.4956(13) 0.1817(12) 0.061(7) Uani 0.54(5) 1 d P A 1
F26 F 0.329(4) 0.612(4) 0.161(3) 0.094(15) Uani 0.54(5) 1 d P A 1
F27 F 0.4389(14) 0.6005(14) 0.2345(10) 0.066(5) Uani 0.54(5) 1 d P A 1
F28 F 0.4119(11) 0.506(2) 0.1388(8) 0.082(5) Uani 0.54(5) 1 d P A 1
F29 F 0.427(2) 0.452(3) 0.221(2) 0.105(10) Uani 0.54(5) 1 d P A 1
F30 F 0.318(2) 0.461(2) 0.162(2) 0.068(6) Uani 0.54(5) 1 d P A 1
C16A C 0.3403(11) 0.515(2) 0.2587(9) 0.041(5) Uani 0.46(5) 1 d P A 2
C17A C 0.3663(12) 0.4976(15) 0.2075(15) 0.055(8) Uani 0.46(5) 1 d P A 2
C18A C 0.3787(13) 0.5695(15) 0.1780(19) 0.068(10) Uani 0.46(5) 1 d P A 2
F26A F 0.4321(17) 0.456(3) 0.2316(18) 0.077(9) Uani 0.46(5) 1 d P A 2
F27A F 0.328(3) 0.447(3) 0.157(3) 0.089(13) Uani 0.46(5) 1 d P A 2
F28A F 0.4110(13) 0.551(3) 0.1390(9) 0.092(8) Uani 0.46(5) 1 d P A 2
F29A F 0.318(4) 0.599(5) 0.151(3) 0.091(14) Uani 0.46(5) 1 d P A 2
F30A F 0.4144(18) 0.623(2) 0.2200(14) 0.088(7) Uani 0.46(5) 1 d P A 2
C19 C 0.1040(3) 0.5483(4) 0.2562(3) 0.0618(19) Uani 1 1 d . . .
H19A H 0.0896 0.5243 0.2879 0.074 Uiso 1 1 calc R A .
H19B H 0.0905 0.6030 0.2537 0.074 Uiso 1 1 calc R . .
C20 C 0.0621(4) 0.5110(5) 0.1945(4) 0.098(3) Uani 1 1 d . A .
H20A H 0.0814 0.5280 0.1641 0.147 Uiso 1 1 calc R . .
H20B H 0.0114 0.5255 0.1806 0.147 Uiso 1 1 calc R . .
H20C H 0.0665 0.4553 0.1989 0.147 Uiso 1 1 calc R . .
F1 F 0.59617(17) 0.3061(2) 0.64930(16) 0.0566(9) Uani 1 1 d . . .
F2 F 0.49665(19) 0.2787(2) 0.66014(17) 0.0664(11) Uani 1 1 d . . .
F3 F 0.5666(2) 0.1612(2) 0.6254(2) 0.0951(15) Uani 1 1 d . . .
F4 F 0.5482(2) 0.2224(2) 0.5410(2) 0.0781(12) Uani 1 1 d . . .
F5 F 0.4588(2) 0.1840(2) 0.5623(2) 0.0892(14) Uani 1 1 d . . .
F6 F 0.47810(18) 0.3139(2) 0.30653(15) 0.0642(10) Uani 1 1 d . . .
F7 F 0.38307(16) 0.3511(2) 0.32100(15) 0.0544(9) Uani 1 1 d . . .
F8 F 0.5034(2) 0.2049(2) 0.3925(2) 0.0826(13) Uani 1 1 d . . .
F9 F 0.4215(2) 0.2495(2) 0.4211(2) 0.0752(12) Uani 1 1 d . . .
F10 F 0.3925(2) 0.2020(2) 0.3303(2) 0.0908(14) Uani 1 1 d . . .
F11 F 0.2431(2) 0.2642(2) 0.31165(19) 0.0758(12) Uani 1 1 d . . .
F12 F 0.1925(2) 0.3650(2) 0.25800(17) 0.0714(11) Uani 1 1 d . . .
F13 F 0.1192(2) 0.3820(3) 0.3371(2) 0.0950(15) Uani 1 1 d . . .
F14 F 0.1597(2) 0.2734(3) 0.3757(2) 0.0831(13) Uani 1 1 d . . .
F15 F 0.0958(2) 0.2826(3) 0.2793(2) 0.1030(17) Uani 1 1 d . . .
F16 F 0.1570(3) 0.4294(4) 0.5394(4) 0.143(3) Uani 1 1 d . . .
F17 F 0.1800(3) 0.5398(4) 0.5797(3) 0.137(2) Uani 1 1 d . . .
F18 F 0.1180(3) 0.5042(8) 0.4277(3) 0.235(6) Uani 1 1 d . . .
F19 F 0.1281(4) 0.6061(6) 0.4758(5) 0.198(5) Uani 1 1 d . . .
F20 F 0.0536(2) 0.5253(4) 0.4805(3) 0.153(3) Uani 1 1 d . . .
F21 F 0.21867(19) 0.7160(2) 0.29464(16) 0.0617(10) Uani 1 1 d . . .
F22 F 0.2811(2) 0.7949(2) 0.3674(2) 0.0722(11) Uani 1 1 d . . .
F23 F 0.1401(2) 0.6804(3) 0.3664(2) 0.0752(12) Uani 1 1 d . . .
F24 F 0.1941(2) 0.7717(3) 0.42724(19) 0.0818(13) Uani 1 1 d . . .
F25 F 0.1320(2) 0.7951(3) 0.3316(2) 0.0859(13) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O13 Zn1 O13 180.0(2) . 5_666
O13 Zn1 O3 99.81(13) . 5_666
O13 Zn1 O3 80.19(13) 5_666 5_666
O13 Zn1 O3 80.19(13) . .
O13 Zn1 O3 99.81(13) 5_666 .
O3 Zn1 O3 180.000(1) 5_666 .
O13 Zn1 O1 99.67(14) . .
O13 Zn1 O1 80.33(14) 5_666 .
O3 Zn1 O1 86.49(15) 5_666 .
O3 Zn1 O1 93.51(15) . .
O13 Zn1 O1 80.33(14) . 5_666
O13 Zn1 O1 99.67(14) 5_666 5_666
O3 Zn1 O1 93.51(15) 5_666 5_666
O3 Zn1 O1 86.49(15) . 5_666
O1 Zn1 O1 180.00(16) . 5_666
O13 Zn1 Zn4 139.64(10) . 5_666
O13 Zn1 Zn4 40.36(10) 5_666 5_666
O3 Zn1 Zn4 54.43(10) 5_666 5_666
O3 Zn1 Zn4 125.57(10) . 5_666
O1 Zn1 Zn4 53.58(10) . 5_666
O1 Zn1 Zn4 126.42(10) 5_666 5_666
O13 Zn2 O2 113.81(15) . .
O13 Zn2 O7 109.62(17) . .
O2 Zn2 O7 113.12(18) . .
O13 Zn2 O5 113.46(16) . .
O2 Zn2 O5 107.64(18) . .
O7 Zn2 O5 98.20(18) . .
O4 Zn3 O13 113.78(15) 5_666 .
O4 Zn3 O8 115.23(18) 5_666 .
O13 Zn3 O8 109.32(17) . .
O4 Zn3 O9 105.51(17) 5_666 .
O13 Zn3 O9 112.79(15) . .
O8 Zn3 O9 99.31(18) . .
O12 Zn4 O13 154.92(15) . .
O12 Zn4 O10 96.67(17) . .
O13 Zn4 O10 103.57(14) . .
O12 Zn4 O6 94.81(17) . .
O13 Zn4 O6 103.36(15) . .
O10 Zn4 O6 79.11(15) . .
O12 Zn4 O1 86.06(15) . 5_666
O13 Zn4 O1 75.29(13) . 5_666
O10 Zn4 O1 102.57(14) . 5_666
O6 Zn4 O1 178.03(15) . 5_666
O12 Zn4 O3 84.88(16) . .
O13 Zn4 O3 74.36(13) . .
O10 Zn4 O3 177.25(14) . .
O6 Zn4 O3 103.06(15) . .
O1 Zn4 O3 75.24(13) 5_666 .
C19 Zn5 O11 135.2(2) . .
C19 Zn5 O10 125.1(2) . .
O11 Zn5 O10 90.20(18) . .
C19 Zn5 O6 124.4(3) . .
O11 Zn5 O6 89.12(19) . .
O10 Zn5 O6 73.01(14) . .
C1 O1 Zn1 133.7(4) . .
C1 O1 Zn4 144.0(4) . 5_666
Zn1 O1 Zn4 80.22(13) . 5_666
C1 O2 Zn2 126.8(4) . .
C4 O3 Zn1 133.4(4) . .
C4 O3 Zn4 144.5(4) . .
Zn1 O3 Zn4 79.52(12) . .
C4 O4 Zn3 127.0(4) . 5_666
C7 O5 Zn2 123.1(4) . .
C7 O6 Zn4 126.0(4) . .
C7 O6 Zn5 137.8(4) . .
Zn4 O6 Zn5 96.01(17) . .
C10 O7 Zn2 128.8(4) . .
C10 O8 Zn3 129.2(4) . .
C13 O9 Zn3 123.1(4) . .
C13 O10 Zn4 126.0(3) . .
C13 O10 Zn5 136.6(3) . .
Zn4 O10 Zn5 97.25(16) . .
C16 O11 Zn5 133.1(8) . .
C16A O11 Zn5 130.7(10) . .
C16A O12 Zn4 124.9(10) . .
C16 O12 Zn4 125.3(8) . .
Zn2 O13 Zn3 110.60(16) . .
Zn2 O13 Zn4 109.92(16) . .
Zn3 O13 Zn4 110.01(16) . .
Zn2 O13 Zn1 113.74(16) . .
Zn3 O13 Zn1 113.96(16) . .
Zn4 O13 Zn1 97.89(14) . .
O1 C1 O2 127.9(5) . .
O1 C1 C2 118.8(5) . .
O2 C1 C2 113.3(5) . .
F2 C2 F1 107.2(5) . .
F2 C2 C3 109.2(6) . .
F1 C2 C3 107.1(5) . .
F2 C2 C1 109.3(5) . .
F1 C2 C1 109.9(5) . .
C3 C2 C1 113.9(5) . .
F3 C3 F5 108.6(6) . .
F3 C3 F4 108.8(7) . .
F5 C3 F4 107.9(6) . .
F3 C3 C2 111.4(6) . .
F5 C3 C2 111.0(6) . .
F4 C3 C2 109.0(6) . .
O3 C4 O4 128.3(5) . .
O3 C4 C5 117.7(5) . .
O4 C4 C5 113.8(5) . .
F6 C5 F7 107.9(5) . .
F6 C5 C6 109.3(5) . .
F7 C5 C6 107.5(5) . .
F6 C5 C4 110.0(5) . .
F7 C5 C4 110.1(5) . .
C6 C5 C4 111.9(5) . .
F10 C6 F8 108.1(6) . .
F10 C6 F9 107.7(6) . .
F8 C6 F9 107.8(6) . .
F10 C6 C5 110.9(6) . .
F8 C6 C5 111.3(6) . .
F9 C6 C5 110.8(6) . .
O5 C7 O6 127.8(5) . .
O5 C7 C8 115.9(6) . .
O6 C7 C8 116.3(6) . .
F12 C8 F11 107.3(5) . .
F12 C8 C9 109.0(6) . .
F11 C8 C9 107.6(6) . .
F12 C8 C7 110.6(6) . .
F11 C8 C7 108.5(5) . .
C9 C8 C7 113.6(6) . .
F14 C9 F15 108.9(6) . .
F14 C9 F13 107.7(7) . .
F15 C9 F13 108.7(7) . .
F14 C9 C8 111.6(7) . .
F15 C9 C8 111.2(6) . .
F13 C9 C8 108.7(6) . .
O8 C10 O7 129.4(6) . .
O8 C10 C11 115.3(7) . .
O7 C10 C11 115.3(7) . .
F17 C11 F16 104.1(7) . .
F17 C11 C12 109.9(9) . .
F16 C11 C12 106.3(9) . .
F17 C11 C10 110.1(7) . .
F16 C11 C10 111.0(7) . .
C12 C11 C10 114.8(7) . .
F18 C12 F20 116.1(12) . .
F18 C12 F19 106.0(11) . .
F20 C12 F19 103.4(12) . .
F18 C12 C11 111.0(11) . .
F20 C12 C11 114.7(9) . .
F19 C12 C11 104.2(11) . .
O9 C13 O10 127.5(5) . .
O9 C13 C14 115.7(5) . .
O10 C13 C14 116.8(5) . .
F22 C14 F21 108.4(5) . .
F22 C14 C15 107.8(6) . .
F21 C14 C15 108.7(5) . .
F22 C14 C13 109.6(5) . .
F21 C14 C13 109.9(5) . .
C15 C14 C13 112.3(5) . .
F24 C15 F25 109.6(5) . .
F24 C15 F23 108.6(6) . .
F25 C15 F23 107.4(6) . .
F24 C15 C14 112.1(6) . .
F25 C15 C14 110.2(6) . .
F23 C15 C14 108.8(5) . .
O11 C16 O12 123.4(18) . .
O11 C16 C17 115.4(14) . .
O12 C16 C17 116.6(15) . .
F27 C17 F26 107(3) . .
F27 C17 C18 105(2) . .
F26 C17 C18 105(3) . .
F27 C17 C16 111.3(15) . .
F26 C17 C16 115(3) . .
C18 C17 C16 114(3) . .
F29 C18 F28 105(3) . .
F29 C18 F30 107(3) . .
F28 C18 F30 115(2) . .
F29 C18 C17 111(3) . .
F28 C18 C17 115(3) . .
F30 C18 C17 104(3) . .
O12 C16A O11 120(2) . .
O12 C16A C17A 118.8(17) . .
O11 C16A C17A 116.4(16) . .
F26A C17A F27A 98(4) . .
F26A C17A C18A 108(3) . .
F27A C17A C18A 105(4) . .
F26A C17A C16A 110(2) . .
F27A C17A C16A 123(3) . .
C18A C17A C16A 112(4) . .
F29A C18A F28A 113(4) . .
F29A C18A F30A 103(5) . .
F28A C18A F30A 114(2) . .
F29A C18A C17A 106(4) . .
F28A C18A C17A 109(4) . .
F30A C18A C17A 113(3) . .
C20 C19 Zn5 114.6(5) . .
C20 C19 H19A 108.6 . .
Zn5 C19 H19A 108.6 . .
C20 C19 H19B 108.6 . .
Zn5 C19 H19B 108.6 . .
H19A C19 H19B 107.6 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O13 1.995(3) .
Zn1 O13 1.995(3) 5_666
Zn1 O3 2.172(4) 5_666
Zn1 O3 2.172(4) .
Zn1 O1 2.173(4) .
Zn1 O1 2.173(4) 5_666
Zn1 Zn4 2.9671(6) 5_666
Zn2 O13 1.937(3) .
Zn2 O2 1.942(4) .
Zn2 O7 1.955(4) .
Zn2 O5 1.978(4) .
Zn3 O4 1.938(4) 5_666
Zn3 O13 1.939(3) .
Zn3 O8 1.957(4) .
Zn3 O9 1.983(4) .
Zn4 O12 1.938(4) .
Zn4 O13 1.940(3) .
Zn4 O10 2.101(4) .
Zn4 O6 2.108(4) .
Zn4 O1 2.423(4) 5_666
Zn4 O3 2.454(4) .
Zn5 C19 1.924(6) .
Zn5 O11 1.950(5) .
Zn5 O10 2.236(4) .
Zn5 O6 2.270(4) .
O1 C1 1.246(7) .
O1 Zn4 2.423(4) 5_666
O2 C1 1.258(7) .
O3 C4 1.246(6) .
O4 C4 1.249(7) .
O4 Zn3 1.938(4) 5_666
O5 C7 1.232(7) .
O6 C7 1.262(7) .
O7 C10 1.257(8) .
O8 C10 1.233(8) .
O9 C13 1.231(7) .
O10 C13 1.258(7) .
O11 C16 1.276(18) .
O11 C16A 1.33(2) .
O12 C16A 1.26(2) .
O12 C16 1.28(2) .
C1 C2 1.540(8) .
C2 F2 1.345(7) .
C2 F1 1.352(6) .
C2 C3 1.510(10) .
C3 F3 1.315(7) .
C3 F5 1.328(8) .
C3 F4 1.336(9) .
C4 C5 1.553(8) .
C5 F6 1.333(7) .
C5 F7 1.351(6) .
C5 C6 1.516(10) .
C6 F10 1.327(7) .
C6 F8 1.329(8) .
C6 F9 1.334(8) .
C7 C8 1.553(8) .
C8 F12 1.342(8) .
C8 F11 1.362(8) .
C8 C9 1.509(10) .
C9 F14 1.312(8) .
C9 F15 1.315(8) .
C9 F13 1.323(9) .
C10 C11 1.549(9) .
C11 F17 1.345(9) .
C11 F16 1.345(9) .
C11 C12 1.449(12) .
C12 F18 1.228(14) .
C12 F20 1.297(9) .
C12 F19 1.370(16) .
C13 C14 1.552(8) .
C14 F22 1.343(7) .
C14 F21 1.345(7) .
C14 C15 1.523(9) .
C15 F24 1.299(7) .
C15 F25 1.330(7) .
C15 F23 1.336(8) .
C16 C17 1.54(4) .
C17 F27 1.38(3) .
C17 F26 1.40(7) .
C17 C18 1.47(4) .
C18 F29 1.25(4) .
C18 F28 1.34(4) .
C18 F30 1.36(5) .
C16A C17A 1.52(5) .
C17A F26A 1.43(4) .
C17A F27A 1.45(6) .
C17A C18A 1.50(6) .
C18A F29A 1.26(9) .
C18A F28A 1.35(6) .
C18A F30A 1.35(4) .
C19 C20 1.516(10) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
