#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:47:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179128 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/90/4309048.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_4309048
loop_
_publ_author_name
'Malcolm H. Chisholm'
'Judith C. Gallucci'
'Hongfeng Yin'
'Hongshi Zhen'
_publ_section_title
;
Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar =
C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4777
_journal_page_last               4785
_journal_paper_doi               10.1021/ic048332i
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H60 F10 O4 Zn3'
_chemical_formula_weight         990.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-93
_cell_angle_alpha                90.00
_cell_angle_beta                 110.60
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3632(1)
_cell_length_b                   15.4720(1)
_cell_length_c                   16.4475(1)
_cell_measurement_temperature    200(2)
_cell_volume                     4612.40(5)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measurement_device       'Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega 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  0.036
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            91848
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    1.624
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_description       'rectangular rod'
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.422
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.048
_refine_ls_goodness_of_fit_obs   1.093
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         10580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_restrained_S_obs      1.093
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_obs          0.0330
_refine_ls_shift/esd_max         -0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0433P)²+1.6878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0877
_refine_ls_wR_factor_obs         0.0814
_reflns_number_observed          8470
_reflns_number_total             10580
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic048332isi20041124_045040.cif
_cod_data_source_block           Chisholm1031
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+1.6878P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+1.6878P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4612.28(5)
_cod_database_code               4309048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Zn1 Zn 0.385379(13) 0.97440(2) 0.22585(2) 0.04028(7) Uani 1 d . .
Zn2 Zn 0.248702(11) 0.962606(14) 0.259680(14) 0.03310(7) Uani 1 d . .
Zn3 Zn 0.106063(12) 0.93612(2) 0.27543(2) 0.03896(7) Uani 1 d . .
F1 F 0.54434(8) 1.03584(10) 0.33423(9) 0.0640(4) Uani 1 d . .
F2 F 0.67003(8) 1.03301(11) 0.29806(11) 0.0741(5) Uani 1 d . .
F3 F 0.66850(8) 0.97031(13) 0.14384(11) 0.0857(6) Uani 1 d . .
F4 F 0.54227(9) 0.90998(13) 0.02654(10) 0.0835(5) Uani 1 d . .
F5 F 0.41611(8) 0.91337(11) 0.06037(10) 0.0710(4) Uani 1 d . .
F6 F -0.04825(8) 0.99911(11) 0.15372(10) 0.0688(4) Uani 1 d . .
F7 F -0.18244(8) 0.98141(14) 0.16398(13) 0.0951(6) Uani 1 d . .
F8 F -0.19892(9) 0.89192(14) 0.29913(14) 0.1017(7) Uani 1 d . .
F9 F -0.07975(11) 0.82450(13) 0.42381(13) 0.0970(6) Uani 1 d . .
F10 F 0.05560(9) 0.84322(12) 0.41420(11) 0.0789(5) Uani 1 d . .
O1 O 0.29849(8) 1.04269(9) 0.20639(10) 0.0420(3) Uani 1 d . .
O2 O 0.34030(8) 0.89773(9) 0.28371(10) 0.0428(3) Uani 1 d . .
O3 O 0.18821(7) 1.01349(8) 0.32054(9) 0.0375(3) Uani 1 d . .
O4 O 0.16456(8) 0.88386(9) 0.21711(9) 0.0423(3) Uani 1 d . .
C1 C 0.47574(11) 0.97414(13) 0.19892(14) 0.0396(5) Uani 1 d . .
C2 C 0.54210(12) 1.00331(14) 0.25632(14) 0.0439(5) Uani 1 d . .
C3 C 0.60699(12) 1.0026(2) 0.2400(2) 0.0491(5) Uani 1 d . .
C4 C 0.60667(13) 0.9710(2) 0.1623(2) 0.0535(6) Uani 1 d . .
C5 C 0.54257(14) 0.9409(2) 0.1029(2) 0.0541(6) Uani 1 d . .
C6 C 0.47862(12) 0.9431(2) 0.1221(2) 0.0481(5) Uani 1 d . .
C7 C 0.00895(11) 0.92169(13) 0.28445(14) 0.0411(5) Uani 1 d . .
C8 C -0.05368(12) 0.95498(15) 0.2228(2) 0.0473(5) Uani 1 d . .
C9 C -0.12378(13) 0.9466(2) 0.2257(2) 0.0591(7) Uani 1 d . .
C10 C -0.13181(14) 0.9029(2) 0.2944(2) 0.0648(8) Uani 1 d . .
C11 C -0.0715(2) 0.8684(2) 0.3574(2) 0.0644(7) Uani 1 d . .
C12 C -0.00274(13) 0.8789(2) 0.3508(2) 0.0517(6) Uani 1 d . .
C13 C 0.28940(11) 1.13326(13) 0.18487(14) 0.0402(5) Uani 1 d . .
H13 H 0.25393(11) 1.15705(13) 0.21102(14) 0.048 Uiso 1 calc R .
C14 C 0.36748(11) 0.81940(13) 0.33066(14) 0.0399(4) Uani 1 d . .
H14A H 0.32596(11) 0.77684(13) 0.31322(14) 0.048 Uiso 0.703(6) calc PR 1
H14B H 0.32602(11) 0.77677(13) 0.31414(14) 0.048 Uiso 0.297(6) calc PR 2
C15 C 0.18864(11) 1.09575(13) 0.36181(13) 0.0395(4) Uani 1 d . .
H15 H 0.22335(11) 1.13420(13) 0.34578(13) 0.047 Uiso 1 calc R .
C16 C 0.15644(13) 0.80251(14) 0.17226(14) 0.0485(5) Uani 1 d . .
H16 H 0.20668(13) 0.77619(14) 0.18883(14) 0.058 Uiso 1 calc R .
C17 C 0.25466(12) 1.14565(15) 0.08660(15) 0.0483(5) Uani 1 d . .
H17 H 0.25156(12) 1.20932(15) 0.07543(15) 0.058 Uiso 1 calc R .
C18 C 0.17628(14) 1.1108(2) 0.0519(2) 0.0620(7) Uani 1 d . .
H18A H 0.1459(3) 1.1422(8) 0.0786(9) 0.093 Uiso 1 calc R .
H18B H 0.1767(2) 1.0491(3) 0.0658(11) 0.093 Uiso 1 calc R .
H18C H 0.1558(4) 1.1184(11) -0.0113(2) 0.093 Uiso 1 calc R .
C19 C 0.3014(2) 1.1075(2) 0.0378(2) 0.0741(8) Uani 1 d . .
H19A H 0.3509(4) 1.1329(11) 0.0600(10) 0.111 Uiso 1 calc R .
H19B H 0.2784(7) 1.1203(12) -0.0243(3) 0.111 Uiso 1 calc R .
H19C H 0.3050(10) 1.0447(3) 0.0464(12) 0.111 Uiso 1 calc R .
C20 C 0.36320(12) 1.17951(14) 0.2285(2) 0.0485(5) Uani 1 d . .
H20 H 0.40111(12) 1.14870(14) 0.2108(2) 0.058 Uiso 1 calc R .
C21 C 0.3624(2) 1.2741(2) 0.2007(2) 0.0689(7) Uani 1 d . .
H21A H 0.4094(4) 1.3014(4) 0.2345(9) 0.103 Uiso 1 calc R .
H21B H 0.3220(7) 1.3046(3) 0.2111(12) 0.103 Uiso 1 calc R .
H21C H 0.3553(11) 1.2768(2) 0.1388(3) 0.103 Uiso 1 calc R .
C22 C 0.3875(2) 1.1741(2) 0.3275(2) 0.0735(8) Uani 1 d . .
H22A H 0.3536(7) 1.2079(11) 0.3473(2) 0.110 Uiso 1 calc R .
H22B H 0.4376(5) 1.1974(13) 0.3536(2) 0.110 Uiso 1 calc R .
H22C H 0.3869(11) 1.1137(2) 0.3450(2) 0.110 Uiso 1 calc R .
C23 C 0.42850(13) 0.78243(14) 0.3024(2) 0.0500(5) Uani 1 d . .
H23 H 0.46553(13) 0.82927(14) 0.3082(2) 0.060 Uiso 1 calc R .
C24 C 0.3983(2) 0.7549(2) 0.2076(2) 0.0721(8) Uani 1 d . .
H24A H 0.4392(2) 0.7380(13) 0.1890(4) 0.108 Uiso 1 calc R .
H24B H 0.3714(10) 0.8033(5) 0.1718(2) 0.108 Uiso 1 calc R .
H24C H 0.3647(9) 0.7058(9) 0.2008(3) 0.108 Uiso 1 calc R .
C25 C 0.4686(2) 0.7064(2) 0.3593(2) 0.0766(8) Uani 1 d . .
H25A H 0.4995(9) 0.7278(2) 0.4166(5) 0.115 Uiso 1 calc R .
H25B H 0.4997(9) 0.6772(9) 0.3318(7) 0.115 Uiso 1 calc R .
H25C H 0.4323(2) 0.6654(7) 0.3657(12) 0.115 Uiso 1 calc R .
C27 C 0.4481(2) 0.9043(2) 0.4612(2) 0.0742(8) Uani 1 d . .
H27A H 0.4899(2) 0.8944(2) 0.4420(2) 0.111 Uiso 0.703(6) calc PR 1
H27B H 0.4658(2) 0.9076(2) 0.5248(2) 0.111 Uiso 0.703(6) calc PR 1
H27C H 0.4237(2) 0.9587(2) 0.4365(2) 0.111 Uiso 0.703(6) calc PR 1
H27D H 0.4503(2) 0.9505(2) 0.4214(2) 0.111 Uiso 0.297(6) calc PR 2
H27E H 0.4910(2) 0.8664(2) 0.4728(2) 0.111 Uiso 0.297(6) calc PR 2
H27F H 0.4482(2) 0.9297(2) 0.5158(2) 0.111 Uiso 0.297(6) calc PR 2
C26A C 0.3930(3) 0.8296(3) 0.4304(3) 0.0506(11) Uani 0.703(6) d P 1
H26A H 0.4190(3) 0.7752(3) 0.4573(3) 0.061 Uiso 0.703(6) calc PR 1
C28A C 0.3253(2) 0.8403(3) 0.4582(2) 0.0644(13) Uani 0.703(6) d P 1
H28A H 0.2919(2) 0.7910(3) 0.4369(2) 0.097 Uiso 0.703(6) calc PR 1
H28B H 0.2994(2) 0.8939(3) 0.4336(2) 0.097 Uiso 0.703(6) calc PR 1
H28C H 0.3414(2) 0.8426(3) 0.5217(2) 0.097 Uiso 0.703(6) calc PR 1
C26B C 0.3777(8) 0.8520(9) 0.4200(9) 0.055(4) Uiso 0.297(6) d P 2
H26B H 0.3354(8) 0.8916(9) 0.4142(9) 0.066 Uiso 0.297(6) calc PR 2
C28B C 0.3754(6) 0.7820(8) 0.4817(7) 0.083(4) Uiso 0.297(6) d P 2
H28D H 0.3823(6) 0.8072(8) 0.5386(7) 0.124 Uiso 0.297(6) calc PR 2
H28E H 0.4149(6) 0.7402(8) 0.4872(7) 0.124 Uiso 0.297(6) calc PR 2
H28F H 0.3275(6) 0.7526(8) 0.4595(7) 0.124 Uiso 0.297(6) calc PR 2
C29 C 0.11246(12) 1.13736(14) 0.3257(2) 0.0480(5) Uani 1 d . .
H29 H 0.07654(12) 1.09834(14) 0.3388(2) 0.058 Uiso 1 calc R .
C30 C 0.08730(15) 1.1489(2) 0.2274(2) 0.0636(7) Uani 1 d . .
H30A H 0.0365(4) 1.1707(12) 0.2055(2) 0.095 Uiso 1 calc R .
H30B H 0.0894(10) 1.0931(3) 0.2001(2) 0.095 Uiso 1 calc R .
H30C H 0.1198(7) 1.1902(9) 0.2134(2) 0.095 Uiso 1 calc R .
C31 C 0.1111(2) 1.2254(2) 0.3682(2) 0.0684(7) Uani 1 d . .
H31A H 0.1146(11) 1.2167(2) 0.4286(4) 0.103 Uiso 1 calc R .
H31B H 0.0648(5) 1.2552(6) 0.3363(8) 0.103 Uiso 1 calc R .
H31C H 0.1528(6) 1.2604(5) 0.3670(12) 0.103 Uiso 1 calc R .
C32 C 0.21946(14) 1.0858(2) 0.4610(2) 0.0555(6) Uani 1 d . .
H32 H 0.21054(14) 1.1419(2) 0.4859(2) 0.067 Uiso 1 calc R .
C33 C 0.1795(2) 1.0160(2) 0.4934(2) 0.0780(9) Uani 1 d . .
H33A H 0.1983(9) 1.0156(10) 0.5570(2) 0.117 Uiso 1 calc R .
H33B H 0.1882(10) 0.9594(3) 0.4719(12) 0.117 Uiso 1 calc R .
H33C H 0.1265(2) 1.0281(8) 0.4719(12) 0.117 Uiso 1 calc R .
C34 C 0.3027(2) 1.0720(2) 0.4939(2) 0.0820(9) Uani 1 d . .
H34A H 0.3211(2) 1.0667(15) 0.5573(2) 0.123 Uiso 1 calc R .
H34B H 0.3264(2) 1.1214(7) 0.4771(13) 0.123 Uiso 1 calc R .
H34C H 0.3140(2) 1.0190(8) 0.4684(12) 0.123 Uiso 1 calc R .
C35 C 0.1290(2) 0.8186(2) 0.0738(2) 0.0613(7) Uani 1 d . .
H35 H 0.1177(2) 0.7608(2) 0.0449(2) 0.074 Uiso 1 calc R .
C36 C 0.1905(2) 0.8587(2) 0.0484(2) 0.0776(9) Uani 1 d . .
H36A H 0.1727(4) 0.8686(13) -0.0145(3) 0.116 Uiso 1 calc R .
H36B H 0.2328(5) 0.8193(7) 0.0645(13) 0.116 Uiso 1 calc R .
H36C H 0.2055(9) 0.9138(7) 0.0788(11) 0.116 Uiso 1 calc R .
C37 C 0.0587(2) 0.8711(3) 0.0412(2) 0.0944(11) Uani 1 d . .
H37A H 0.0426(8) 0.8766(15) -0.0222(3) 0.142 Uiso 1 calc R .
H37B H 0.0676(4) 0.9286(6) 0.0677(13) 0.142 Uiso 1 calc R .
H37C H 0.0201(5) 0.8419(9) 0.0568(15) 0.142 Uiso 1 calc R .
C38 C 0.10963(15) 0.7417(2) 0.2030(2) 0.0591(6) Uani 1 d . .
H38 H 0.06163(15) 0.7711(2) 0.1947(2) 0.071 Uiso 1 calc R .
C39 C 0.1467(2) 0.7214(2) 0.2996(2) 0.0772(8) Uani 1 d . .
H39A H 0.1126(5) 0.6885(12) 0.3198(4) 0.116 Uiso 1 calc R .
H39B H 0.1599(11) 0.7755(2) 0.3324(2) 0.116 Uiso 1 calc R .
H39C H 0.1913(7) 0.6872(12) 0.3085(3) 0.116 Uiso 1 calc R .
C40 C 0.0929(2) 0.6567(2) 0.1512(2) 0.0901(10) Uani 1 d . .
H40A H 0.0610(11) 0.6685(3) 0.0911(5) 0.135 Uiso 1 calc R .
H40B H 0.0679(13) 0.6166(6) 0.1778(10) 0.135 Uiso 1 calc R .
H40C H 0.1392(2) 0.6307(8) 0.1515(14) 0.135 Uiso 1 calc R .
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'
F F 0.0171 0.0103 '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'
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
_geom_angle_publ_flag
O2 Zn1 O1 84.12(6) . . ?
O2 Zn1 C1 135.61(7) . . ?
O1 Zn1 C1 140.22(7) . . ?
O2 Zn1 Zn2 42.04(4) . . ?
O1 Zn1 Zn2 42.15(4) . . ?
C1 Zn1 Zn2 175.82(6) . . ?
O2 Zn2 O3 140.22(6) . . ?
O2 Zn2 O4 109.57(6) . . ?
O3 Zn2 O4 81.98(6) . . ?
O2 Zn2 O1 81.99(6) . . ?
O3 Zn2 O1 116.94(6) . . ?
O4 Zn2 O1 135.54(7) . . ?
O2 Zn2 Zn3 137.45(4) . . ?
O3 Zn2 Zn3 41.22(4) . . ?
O4 Zn2 Zn3 40.76(4) . . ?
O1 Zn2 Zn3 140.04(4) . . ?
O2 Zn2 Zn1 40.98(4) . . ?
O3 Zn2 Zn1 145.71(4) . . ?
O4 Zn2 Zn1 132.30(4) . . ?
O1 Zn2 Zn1 41.08(4) . . ?
Zn3 Zn2 Zn1 172.877(11) . . ?
O4 Zn3 O3 84.29(6) . . ?
O4 Zn3 C7 138.63(7) . . ?
O3 Zn3 C7 137.07(7) . . ?
O4 Zn3 Zn2 42.15(4) . . ?
O3 Zn3 Zn2 42.15(4) . . ?
C7 Zn3 Zn2 178.26(6) . . ?
C13 O1 Zn1 126.99(12) . . ?
C13 O1 Zn2 133.56(12) . . ?
Zn1 O1 Zn2 96.78(6) . . ?
C14 O2 Zn1 130.30(12) . . ?
C14 O2 Zn2 132.71(12) . . ?
Zn1 O2 Zn2 96.98(6) . . ?
C15 O3 Zn3 126.84(11) . . ?
C15 O3 Zn2 133.78(12) . . ?
Zn3 O3 Zn2 96.63(6) . . ?
C16 O4 Zn3 130.75(13) . . ?
C16 O4 Zn2 130.94(13) . . ?
Zn3 O4 Zn2 97.09(6) . . ?
C6 C1 C2 114.6(2) . . ?
C6 C1 Zn1 122.7(2) . . ?
C2 C1 Zn1 122.7(2) . . ?
F1 C2 C3 117.2(2) . . ?
F1 C2 C1 118.6(2) . . ?
C3 C2 C1 124.1(2) . . ?
F2 C3 C4 119.6(2) . . ?
F2 C3 C2 121.5(2) . . ?
C4 C3 C2 118.8(2) . . ?
F3 C4 C5 119.8(2) . . ?
F3 C4 C3 120.4(2) . . ?
C5 C4 C3 119.8(2) . . ?
F4 C5 C4 119.7(2) . . ?
F4 C5 C6 120.9(2) . . ?
C4 C5 C6 119.4(2) . . ?
F5 C6 C1 119.5(2) . . ?
F5 C6 C5 117.1(2) . . ?
C1 C6 C5 123.3(2) . . ?
C12 C7 C8 114.8(2) . . ?
C12 C7 Zn3 123.6(2) . . ?
C8 C7 Zn3 121.6(2) . . ?
F6 C8 C7 119.7(2) . . ?
F6 C8 C9 116.2(2) . . ?
C7 C8 C9 124.1(2) . . ?
F7 C9 C10 120.7(2) . . ?
F7 C9 C8 121.2(3) . . ?
C10 C9 C8 118.2(2) . . ?
F8 C10 C11 119.6(3) . . ?
F8 C10 C9 120.3(3) . . ?
C11 C10 C9 120.2(2) . . ?
F9 C11 C10 120.0(2) . . ?
F9 C11 C12 121.0(3) . . ?
C10 C11 C12 118.9(2) . . ?
F10 C12 C7 119.1(2) . . ?
F10 C12 C11 117.2(2) . . ?
C7 C12 C11 123.8(2) . . ?
O1 C13 C17 110.6(2) . . ?
O1 C13 C20 109.0(2) . . ?
C17 C13 C20 115.3(2) . . ?
O1 C13 H13 107.18(10) . . ?
C17 C13 H13 107.18(11) . . ?
C20 C13 H13 107.18(12) . . ?
O2 C14 C26B 98.1(5) . . ?
O2 C14 C23 109.2(2) . . ?
C26B C14 C23 125.2(6) . . ?
O2 C14 C26A 113.9(2) . . ?
C23 C14 C26A 111.7(2) . . ?
O2 C14 H14A 107.25(10) . . ?
C23 C14 H14A 107.25(12) . . ?
C26A C14 H14A 107.2(2) . . ?
O2 C14 H14B 107.69(10) . . ?
C26B C14 H14B 107.7(6) . . ?
C23 C14 H14B 107.69(12) . . ?
O3 C15 C29 110.2(2) . . ?
O3 C15 C32 110.3(2) . . ?
C29 C15 C32 114.7(2) . . ?
O3 C15 H15 107.10(10) . . ?
C29 C15 H15 107.10(12) . . ?
C32 C15 H15 107.10(13) . . ?
O4 C16 C38 110.0(2) . . ?
O4 C16 C35 109.5(2) . . ?
C38 C16 C35 115.3(2) . . ?
O4 C16 H16 107.22(11) . . ?
C38 C16 H16 107.22(14) . . ?
C35 C16 H16 107.22(14) . . ?
C18 C17 C19 111.3(2) . . ?
C18 C17 C13 111.3(2) . . ?
C19 C17 C13 112.7(2) . . ?
C18 C17 H17 107.06(13) . . ?
C19 C17 H17 107.06(15) . . ?
C13 C17 H17 107.06(11) . . ?
C17 C18 H18A 109.47(14) . . ?
C17 C18 H18B 109.47(13) . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.47(13) . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.47(15) . . ?
C17 C19 H19B 109.47(14) . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.47(15) . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C20 C21 109.6(2) . . ?
C22 C20 C13 111.1(2) . . ?
C21 C20 C13 113.4(2) . . ?
C22 C20 H20 107.49(15) . . ?
C21 C20 H20 107.49(14) . . ?
C13 C20 H20 107.49(11) . . ?
C20 C21 H21A 109.47(14) . . ?
C20 C21 H21B 109.47(14) . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.47(15) . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.47(15) . . ?
C20 C22 H22B 109.47(14) . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.47(14) . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C14 111.0(2) . . ?
C24 C23 C25 109.9(2) . . ?
C14 C23 C25 112.5(2) . . ?
C24 C23 H23 107.77(15) . . ?
C14 C23 H23 107.77(12) . . ?
C25 C23 H23 107.8(2) . . ?
C23 C24 H24A 109.47(14) . . ?
C23 C24 H24B 109.47(14) . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.47(15) . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5(2) . . ?
C23 C25 H25B 109.47(14) . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.47(15) . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26A C27 H27A 109.5(2) . . ?
C26A C27 H27B 109.5(2) . . ?
H27A C27 H27B 109.5 . . ?
C26A C27 H27C 109.5(2) . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26B C27 H27D 109.5(5) . . ?
C26B C27 H27E 109.5(5) . . ?
H27D C27 H27E 109.5 . . ?
C26B C27 H27F 109.5(6) . . ?
H27D C27 H27F 109.5 . . ?
H27E C27 H27F 109.5 . . ?
C27 C26A C28A 112.8(4) . . ?
C27 C26A C14 110.7(3) . . ?
C28A C26A C14 109.7(3) . . ?
C27 C26A H26A 107.8(2) . . ?
C28A C26A H26A 107.8(3) . . ?
C14 C26A H26A 107.8(2) . . ?
C26A C28A H28A 109.5(2) . . ?
C26A C28A H28B 109.5(3) . . ?
H28A C28A H28B 109.5 . . ?
C26A C28A H28C 109.5(2) . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C28B C26B C14 113.3(10) . . ?
C28B C26B C27 108.6(10) . . ?
C14 C26B C27 113.7(9) . . ?
C28B C26B H26B 106.9(7) . . ?
C14 C26B H26B 106.9(5) . . ?
C27 C26B H26B 106.9(5) . . ?
C26B C28B H28D 109.5(7) . . ?
C26B C28B H28E 109.5(7) . . ?
H28D C28B H28E 109.5 . . ?
C26B C28B H28F 109.5(7) . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C15 C29 C30 111.5(2) . . ?
C15 C29 C31 111.5(2) . . ?
C30 C29 C31 109.2(2) . . ?
C15 C29 H29 108.18(12) . . ?
C30 C29 H29 108.18(14) . . ?
C31 C29 H29 108.18(14) . . ?
C29 C30 H30A 109.47(13) . . ?
C29 C30 H30B 109.47(13) . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.47(14) . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.47(14) . . ?
C29 C31 H31B 109.47(14) . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.47(14) . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 C33 112.2(2) . . ?
C34 C32 C15 111.0(2) . . ?
C33 C32 C15 112.7(2) . . ?
C34 C32 H32 106.8(2) . . ?
C33 C32 H32 106.81(15) . . ?
C15 C32 H32 106.81(12) . . ?
C32 C33 H33A 109.47(14) . . ?
C32 C33 H33B 109.5(2) . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5(2) . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5(2) . . ?
C32 C34 H34B 109.5(2) . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.47(15) . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C37 C35 C36 112.1(3) . . ?
C37 C35 C16 113.3(2) . . ?
C36 C35 C16 109.9(2) . . ?
C37 C35 H35 107.1(2) . . ?
C36 C35 H35 107.05(15) . . ?
C16 C35 H35 107.05(12) . . ?
C35 C36 H36A 109.5(2) . . ?
C35 C36 H36B 109.5(2) . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.47(15) . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5(2) . . ?
C35 C37 H37B 109.5(2) . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5(2) . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C16 C38 C39 111.0(2) . . ?
C16 C38 C40 112.3(2) . . ?
C39 C38 C40 109.3(2) . . ?
C16 C38 H38 108.03(14) . . ?
C39 C38 H38 108.0(2) . . ?
C40 C38 H38 108.0(2) . . ?
C38 C39 H39A 109.47(15) . . ?
C38 C39 H39B 109.47(15) . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5(2) . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5(2) . . ?
C38 C40 H40B 109.5(2) . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5(2) . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O2 1.9129(13) . ?
Zn1 O1 1.9158(13) . ?
Zn1 C1 1.950(2) . ?
Zn1 Zn2 2.8954(3) . ?
Zn2 O2 1.9535(13) . ?
Zn2 O3 1.9542(12) . ?
Zn2 O4 1.9560(13) . ?
Zn2 O1 1.9566(13) . ?
Zn2 Zn3 2.8926(3) . ?
Zn3 O4 1.9031(13) . ?
Zn3 O3 1.9191(13) . ?
Zn3 C7 1.950(2) . ?
F1 C2 1.363(2) . ?
F2 C3 1.343(3) . ?
F3 C4 1.335(2) . ?
F4 C5 1.342(3) . ?
F5 C6 1.357(3) . ?
F6 C8 1.361(3) . ?
F7 C9 1.341(3) . ?
F8 C10 1.340(3) . ?
F9 C11 1.343(3) . ?
F10 C12 1.356(3) . ?
O1 C13 1.441(2) . ?
O2 C14 1.434(2) . ?
O3 C15 1.441(2) . ?
O4 C16 1.439(2) . ?
C1 C6 1.372(3) . ?
C1 C2 1.376(3) . ?
C2 C3 1.374(3) . ?
C3 C4 1.366(3) . ?
C4 C5 1.363(4) . ?
C5 C6 1.382(3) . ?
C7 C12 1.361(3) . ?
C7 C8 1.378(3) . ?
C8 C9 1.381(3) . ?
C9 C10 1.372(4) . ?
C10 C11 1.367(4) . ?
C11 C12 1.384(3) . ?
C13 C17 1.529(3) . ?
C13 C20 1.532(3) . ?
C13 H13 1.00 . ?
C14 C26B 1.500(15) . ?
C14 C23 1.525(3) . ?
C14 C26A 1.547(5) . ?
C14 H14A 1.00 . ?
C14 H14B 1.00 . ?
C15 C29 1.525(3) . ?
C15 C32 1.535(3) . ?
C15 H15 1.00 . ?
C16 C38 1.511(3) . ?
C16 C35 1.537(3) . ?
C16 H16 1.00 . ?
C17 C18 1.520(3) . ?
C17 C19 1.524(3) . ?
C17 H17 1.00 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C22 1.530(4) . ?
C20 C21 1.532(3) . ?
C20 H20 1.00 . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 C24 1.521(4) . ?
C23 C25 1.534(3) . ?
C23 H23 1.00 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C27 C26B 1.525(14) . ?
C27 C26A 1.532(6) . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C27 H27D 0.98 . ?
C27 H27E 0.98 . ?
C27 H27F 0.98 . ?
C26A C28A 1.542(6) . ?
C26A H26A 1.00 . ?
C28A H28A 0.98 . ?
C28A H28B 0.98 . ?
C28A H28C 0.98 . ?
C26B C28B 1.49(2) . ?
C26B H26B 1.00 . ?
C28B H28D 0.98 . ?
C28B H28E 0.98 . ?
C28B H28F 0.98 . ?
C29 C30 1.527(4) . ?
C29 C31 1.535(3) . ?
C29 H29 1.00 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 C34 1.524(4) . ?
C32 C33 1.529(4) . ?
C32 H32 1.00 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 C37 1.512(4) . ?
C35 C36 1.526(4) . ?
C35 H35 1.00 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 C39 1.527(4) . ?
C38 C40 1.540(4) . ?
C38 H38 1.00 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Zn1 Zn2 O2 0.0 . . . . ?
O1 Zn1 Zn2 O2 -175.77(10) . . . . ?
C1 Zn1 Zn2 O2 57.8(9) . . . . ?
O2 Zn1 Zn2 O3 113.07(10) . . . . ?
O1 Zn1 Zn2 O3 -62.70(11) . . . . ?
C1 Zn1 Zn2 O3 170.9(9) . . . . ?
O2 Zn1 Zn2 O4 -69.09(10) . . . . ?
O1 Zn1 Zn2 O4 115.14(10) . . . . ?
C1 Zn1 Zn2 O4 -11.3(9) . . . . ?
O2 Zn1 Zn2 O1 175.77(10) . . . . ?
O1 Zn1 Zn2 O1 0.0 . . . . ?
C1 Zn1 Zn2 O1 -126.4(9) . . . . ?
O2 Zn1 Zn2 Zn3 -81.17(11) . . . . ?
O1 Zn1 Zn2 Zn3 103.06(11) . . . . ?
C1 Zn1 Zn2 Zn3 -23.4(9) . . . . ?
O2 Zn2 Zn3 O4 -59.66(10) . . . . ?
O3 Zn2 Zn3 O4 -178.42(9) . . . . ?
O4 Zn2 Zn3 O4 0.0 . . . . ?
O1 Zn2 Zn3 O4 108.53(10) . . . . ?
Zn1 Zn2 Zn3 O4 13.72(11) . . . . ?
O2 Zn2 Zn3 O3 118.77(10) . . . . ?
O3 Zn2 Zn3 O3 0.0 . . . . ?
O4 Zn2 Zn3 O3 178.42(9) . . . . ?
O1 Zn2 Zn3 O3 -73.05(10) . . . . ?
Zn1 Zn2 Zn3 O3 -167.86(11) . . . . ?
O2 Zn2 Zn3 C7 -177.2(1000) . . . . ?
O3 Zn2 Zn3 C7 64.0(21) . . . . ?
O4 Zn2 Zn3 C7 -117.6(21) . . . . ?
O1 Zn2 Zn3 C7 -9.0(21) . . . . ?
Zn1 Zn2 Zn3 C7 -103.9(21) . . . . ?
O2 Zn1 O1 C13 160.6(2) . . . . ?
C1 Zn1 O1 C13 -21.9(2) . . . . ?
Zn2 Zn1 O1 C13 163.4(2) . . . . ?
O2 Zn1 O1 Zn2 -2.85(7) . . . . ?
C1 Zn1 O1 Zn2 174.74(10) . . . . ?
Zn2 Zn1 O1 Zn2 0.0 . . . . ?
O2 Zn2 O1 C13 -158.8(2) . . . . ?
O3 Zn2 O1 C13 -15.8(2) . . . . ?
O4 Zn2 O1 C13 91.3(2) . . . . ?
Zn3 Zn2 O1 C13 29.2(2) . . . . ?
Zn1 Zn2 O1 C13 -161.6(2) . . . . ?
O2 Zn2 O1 Zn1 2.80(7) . . . . ?
O3 Zn2 O1 Zn1 145.84(6) . . . . ?
O4 Zn2 O1 Zn1 -107.04(8) . . . . ?
Zn3 Zn2 O1 Zn1 -169.16(2) . . . . ?
Zn1 Zn2 O1 Zn1 0.0 . . . . ?
O1 Zn1 O2 C14 -175.9(2) . . . . ?
C1 Zn1 O2 C14 6.3(2) . . . . ?
Zn2 Zn1 O2 C14 -178.8(2) . . . . ?
O1 Zn1 O2 Zn2 2.85(7) . . . . ?
C1 Zn1 O2 Zn2 -174.94(10) . . . . ?
Zn2 Zn1 O2 Zn2 0.0 . . . . ?
O3 Zn2 O2 C14 52.8(2) . . . . ?
O4 Zn2 O2 C14 -48.4(2) . . . . ?
O1 Zn2 O2 C14 175.9(2) . . . . ?
Zn3 Zn2 O2 C14 -11.7(2) . . . . ?
Zn1 Zn2 O2 C14 178.7(2) . . . . ?
O3 Zn2 O2 Zn1 -125.90(8) . . . . ?
O4 Zn2 O2 Zn1 132.84(7) . . . . ?
O1 Zn2 O2 Zn1 -2.81(7) . . . . ?
Zn3 Zn2 O2 Zn1 169.56(2) . . . . ?
Zn1 Zn2 O2 Zn1 0.0 . . . . ?
O4 Zn3 O3 C15 164.3(2) . . . . ?
C7 Zn3 O3 C15 -14.5(2) . . . . ?
Zn2 Zn3 O3 C15 163.2(2) . . . . ?
O4 Zn3 O3 Zn2 1.06(6) . . . . ?
C7 Zn3 O3 Zn2 -177.71(10) . . . . ?
Zn2 Zn3 O3 Zn2 0.0 . . . . ?
O2 Zn2 O3 C15 86.6(2) . . . . ?
O4 Zn2 O3 C15 -162.4(2) . . . . ?
O1 Zn2 O3 C15 -24.9(2) . . . . ?
Zn3 Zn2 O3 C15 -161.3(2) . . . . ?
Zn1 Zn2 O3 C15 16.0(2) . . . . ?
O2 Zn2 O3 Zn3 -112.10(8) . . . . ?
O4 Zn2 O3 Zn3 -1.04(6) . . . . ?
O1 Zn2 O3 Zn3 136.43(6) . . . . ?
Zn3 Zn2 O3 Zn3 0.0 . . . . ?
Zn1 Zn2 O3 Zn3 177.35(2) . . . . ?
O3 Zn3 O4 C16 167.1(2) . . . . ?
C7 Zn3 O4 C16 -14.1(2) . . . . ?
Zn2 Zn3 O4 C16 168.2(2) . . . . ?
O3 Zn3 O4 Zn2 -1.06(6) . . . . ?
C7 Zn3 O4 Zn2 177.67(10) . . . . ?
Zn2 Zn3 O4 Zn2 0.0 . . . . ?
O2 Zn2 O4 C16 -26.4(2) . . . . ?
O3 Zn2 O4 C16 -167.1(2) . . . . ?
O1 Zn2 O4 C16 72.3(2) . . . . ?
Zn3 Zn2 O4 C16 -168.2(2) . . . . ?
Zn1 Zn2 O4 C16 14.1(2) . . . . ?
O2 Zn2 O4 Zn3 141.73(6) . . . . ?
O3 Zn2 O4 Zn3 1.05(6) . . . . ?
O1 Zn2 O4 Zn3 -119.59(7) . . . . ?
Zn3 Zn2 O4 Zn3 0.0 . . . . ?
Zn1 Zn2 O4 Zn3 -177.72(2) . . . . ?
O2 Zn1 C1 C6 92.8(2) . . . . ?
O1 Zn1 C1 C6 -83.7(2) . . . . ?
Zn2 Zn1 C1 C6 38.7(10) . . . . ?
O2 Zn1 C1 C2 -85.7(2) . . . . ?
O1 Zn1 C1 C2 97.7(2) . . . . ?
Zn2 Zn1 C1 C2 -139.8(8) . . . . ?
C6 C1 C2 F1 179.6(2) . . . . ?
Zn1 C1 C2 F1 -1.8(3) . . . . ?
C6 C1 C2 C3 0.2(3) . . . . ?
Zn1 C1 C2 C3 178.8(2) . . . . ?
F1 C2 C3 F2 -0.3(3) . . . . ?
C1 C2 C3 F2 179.1(2) . . . . ?
F1 C2 C3 C4 -179.6(2) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
F2 C3 C4 F3 -0.2(4) . . . . ?
C2 C3 C4 F3 179.2(2) . . . . ?
F2 C3 C4 C5 -179.3(2) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
F3 C4 C5 F4 0.8(4) . . . . ?
C3 C4 C5 F4 179.9(2) . . . . ?
F3 C4 C5 C6 -179.0(2) . . . . ?
C3 C4 C5 C6 0.1(4) . . . . ?
C2 C1 C6 F5 -179.4(2) . . . . ?
Zn1 C1 C6 F5 1.9(3) . . . . ?
C2 C1 C6 C5 0.0(3) . . . . ?
Zn1 C1 C6 C5 -178.6(2) . . . . ?
F4 C5 C6 F5 -0.5(4) . . . . ?
C4 C5 C6 F5 179.3(2) . . . . ?
F4 C5 C6 C1 -179.9(2) . . . . ?
C4 C5 C6 C1 -0.2(4) . . . . ?
O4 Zn3 C7 C12 98.2(2) . . . . ?
O3 Zn3 C7 C12 -83.7(2) . . . . ?
Zn2 Zn3 C7 C12 -146.0(20) . . . . ?
O4 Zn3 C7 C8 -81.9(2) . . . . ?
O3 Zn3 C7 C8 96.2(2) . . . . ?
Zn2 Zn3 C7 C8 33.9(23) . . . . ?
C12 C7 C8 F6 179.9(2) . . . . ?
Zn3 C7 C8 F6 0.0(3) . . . . ?
C12 C7 C8 C9 -0.3(3) . . . . ?
Zn3 C7 C8 C9 179.8(2) . . . . ?
F6 C8 C9 F7 -0.9(3) . . . . ?
C7 C8 C9 F7 179.3(2) . . . . ?
F6 C8 C9 C10 -179.8(2) . . . . ?
C7 C8 C9 C10 0.4(4) . . . . ?
F7 C9 C10 F8 2.2(4) . . . . ?
C8 C9 C10 F8 -178.9(2) . . . . ?
F7 C9 C10 C11 -179.3(2) . . . . ?
C8 C9 C10 C11 -0.4(4) . . . . ?
F8 C10 C11 F9 -0.4(4) . . . . ?
C9 C10 C11 F9 -179.0(2) . . . . ?
F8 C10 C11 C12 178.9(2) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C8 C7 C12 F10 179.4(2) . . . . ?
Zn3 C7 C12 F10 -0.7(3) . . . . ?
C8 C7 C12 C11 0.2(4) . . . . ?
Zn3 C7 C12 C11 -179.9(2) . . . . ?
F9 C11 C12 F10 -0.2(4) . . . . ?
C10 C11 C12 F10 -179.5(2) . . . . ?
F9 C11 C12 C7 179.1(2) . . . . ?
C10 C11 C12 C7 -0.2(4) . . . . ?
Zn1 O1 C13 C17 95.2(2) . . . . ?
Zn2 O1 C13 C17 -107.8(2) . . . . ?
Zn1 O1 C13 C20 -32.6(2) . . . . ?
Zn2 O1 C13 C20 124.4(2) . . . . ?
Zn1 O2 C14 C26B 110.4(6) . . . . ?
Zn2 O2 C14 C26B -68.0(6) . . . . ?
Zn1 O2 C14 C23 -21.4(2) . . . . ?
Zn2 O2 C14 C23 160.27(15) . . . . ?
Zn1 O2 C14 C26A 104.2(3) . . . . ?
Zn2 O2 C14 C26A -74.1(3) . . . . ?
Zn3 O3 C15 C29 -30.0(2) . . . . ?
Zn2 O3 C15 C29 126.6(2) . . . . ?
Zn3 O3 C15 C32 97.6(2) . . . . ?
Zn2 O3 C15 C32 -105.8(2) . . . . ?
Zn3 O4 C16 C38 -21.6(3) . . . . ?
Zn2 O4 C16 C38 142.8(2) . . . . ?
Zn3 O4 C16 C35 106.1(2) . . . . ?
Zn2 O4 C16 C35 -89.5(2) . . . . ?
O1 C13 C17 C18 65.5(2) . . . . ?
C20 C13 C17 C18 -170.2(2) . . . . ?
O1 C13 C17 C19 -60.3(2) . . . . ?
C20 C13 C17 C19 63.9(3) . . . . ?
O1 C13 C20 C22 -63.3(2) . . . . ?
C17 C13 C20 C22 171.6(2) . . . . ?
O1 C13 C20 C21 172.7(2) . . . . ?
C17 C13 C20 C21 47.6(3) . . . . ?
O2 C14 C23 C24 -65.2(2) . . . . ?
C26B C14 C23 C24 179.4(7) . . . . ?
C26A C14 C23 C24 167.9(3) . . . . ?
O2 C14 C23 C25 171.2(2) . . . . ?
C26B C14 C23 C25 55.8(7) . . . . ?
C26A C14 C23 C25 44.4(3) . . . . ?
C26B C27 C26A C28A -52.7(22) . . . . ?
C26B C27 C26A C14 70.6(23) . . . . ?
O2 C14 C26A C27 -52.4(4) . . . . ?
C26B C14 C26A C27 -73.9(23) . . . . ?
C23 C14 C26A C27 71.9(4) . . . . ?
O2 C14 C26A C28A 72.7(4) . . . . ?
C26B C14 C26A C28A 51.2(22) . . . . ?
C23 C14 C26A C28A -163.0(3) . . . . ?
O2 C14 C26B C28B 155.8(9) . . . . ?
C23 C14 C26B C28B -83.7(11) . . . . ?
C26A C14 C26B C28B -44.0(18) . . . . ?
O2 C14 C26B C27 -79.5(8) . . . . ?
C23 C14 C26B C27 41.0(11) . . . . ?
C26A C14 C26B C27 80.7(23) . . . . ?
C26A C27 C26B C28B 43.2(18) . . . . ?
C26A C27 C26B C14 -84.0(23) . . . . ?
O3 C15 C29 C30 -57.5(2) . . . . ?
C32 C15 C29 C30 177.3(2) . . . . ?
O3 C15 C29 C31 -179.9(2) . . . . ?
C32 C15 C29 C31 55.0(3) . . . . ?
O3 C15 C32 C34 73.4(3) . . . . ?
C29 C15 C32 C34 -161.6(2) . . . . ?
O3 C15 C32 C33 -53.6(3) . . . . ?
C29 C15 C32 C33 71.5(3) . . . . ?
O4 C16 C35 C37 -55.0(3) . . . . ?
C38 C16 C35 C37 69.7(3) . . . . ?
O4 C16 C35 C36 71.3(3) . . . . ?
C38 C16 C35 C36 -164.0(2) . . . . ?
O4 C16 C38 C39 -62.7(3) . . . . ?
C35 C16 C38 C39 172.9(2) . . . . ?
O4 C16 C38 C40 174.6(2) . . . . ?
C35 C16 C38 C40 50.2(3) . . . . ?
