#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/08/4500862.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_4500862
loop_
_publ_author_name
'Wu, Ya-Pan'
'Li, Dong-Sheng'
'Fu, Feng'
'Dong, Wen-Wen'
'Zhao, Jun'
'Zou, Kun'
'Wang, Yao-Yu'
_publ_section_title
;
 Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb
 System: From a 2-Fold Interpenetrating Pillared-Network to Unique
 (3,4)-Connected Isomeric Nets
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3850
_journal_paper_doi               10.1021/cg200389q
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C25.5 H13 F9 O6 Zn'
_chemical_formula_weight         651.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 123.17(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.820(16)
_cell_length_b                   7.292(6)
_cell_length_c                   23.444(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2693(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.1073
_diffrn_reflns_av_sigmaI/netI    0.0753
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22295
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.964
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1178
_refine_ls_R_factor_gt           0.0987
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1723P)²+20.7070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2914
_refine_ls_wR_factor_ref         0.3077
_reflns_number_gt                3640
_reflns_number_total             4726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200389q_si_001.cif
_cod_data_source_block           wyp1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum        'C25.50 H13 F9 O6 Zn'
_cod_database_code               4500862
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'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
Zn1 Zn 0.45011(6) 0.35379(13) -0.02224(5) 0.0328(4) Uani 1 1 d .
F1 F 0.0552(5) -0.5425(10) -0.1550(5) 0.094(3) Uani 1 1 d .
F2 F -0.0499(5) -0.3701(10) -0.1760(4) 0.0725(19) Uani 1 1 d .
F3 F -0.0707(5) -0.6013(9) -0.2391(5) 0.086(2) Uani 1 1 d .
F4 F 0.9177(4) 0.2327(10) 0.4330(3) 0.0659(18) Uani 1 1 d .
F6 F 0.9023(4) 0.0722(10) 0.5028(3) 0.0681(19) Uani 1 1 d .
F5 F 0.8175(4) 0.2943(9) 0.4484(3) 0.0646(17) Uani 1 1 d .
F9 F 0.9179(4) -0.1820(10) 0.4292(4) 0.0701(19) Uani 1 1 d .
F8 F 0.8071(4) -0.2483(9) 0.3312(3) 0.0638(16) Uani 1 1 d .
F7 F 0.8867(4) -0.0251(10) 0.3408(4) 0.0725(19) Uani 1 1 d .
O1 O 0.3479(4) 0.1438(8) -0.0651(3) 0.0428(14) Uani 1 1 d .
O2 O 0.2512(5) 0.3031(12) -0.0579(5) 0.079(3) Uani 1 1 d .
H2A H 0.2901 0.3772 -0.0380 0.119 Uiso 1 1 calc R
O3 O 0.5179(4) 0.2719(10) 0.0720(3) 0.0459(15) Uani 1 1 d .
C1 C 0.2769(6) 0.1595(13) -0.0769(5) 0.043(2) Uani 1 1 d .
C2 C 0.2080(6) 0.0221(13) -0.1163(4) 0.042(2) Uani 1 1 d .
C3 C 0.1280(5) 0.0500(13) -0.1288(5) 0.042(2) Uani 1 1 d .
H3 H 0.1180 0.1485 -0.1089 0.050 Uiso 1 1 calc R
C4 C 0.0620(6) -0.0718(13) -0.1718(5) 0.047(2) Uani 1 1 d .
H4 H 0.0080 -0.0530 -0.1804 0.057 Uiso 1 1 calc R
C5 C 0.0762(5) -0.2182(12) -0.2012(5) 0.0396(19) Uani 1 1 d .
C6 C 0.1601(6) -0.2529(13) -0.1829(6) 0.052(2) Uani 1 1 d .
H6 H 0.1718 -0.3573 -0.1992 0.062 Uiso 1 1 calc R
C7 C 0.2243(6) -0.1341(13) -0.1415(5) 0.048(2) Uani 1 1 d .
H7 H 0.2791 -0.1577 -0.1301 0.057 Uiso 1 1 calc R
C8 C 0.0000 -0.3415(17) -0.2500 0.046(3) Uani 1 2 d S
C9 C -0.0173(7) -0.4655(14) -0.2048(7) 0.064(3) Uani 1 1 d .
C10 C 0.5791(5) 0.3616(12) 0.1162(4) 0.0354(19) Uani 1 1 d .
C11 C 0.6328(6) 0.2805(13) 0.1869(4) 0.0386(19) Uani 1 1 d .
C16 C 0.6187(6) 0.1007(14) 0.1977(5) 0.048(2) Uani 1 1 d .
H16 H 0.5749 0.0318 0.1627 0.057 Uiso 1 1 calc R
C15 C 0.6724(6) 0.0261(13) 0.2629(4) 0.044(2) Uani 1 1 d .
H15 H 0.6627 -0.0928 0.2714 0.053 Uiso 1 1 calc R
C14 C 0.7398(5) 0.1252(12) 0.3153(4) 0.0359(19) Uani 1 1 d .
C13 C 0.7530(6) 0.3061(13) 0.3038(5) 0.044(2) Uani 1 1 d .
H13 H 0.7971 0.3750 0.3386 0.053 Uiso 1 1 calc R
C12 C 0.6984(6) 0.3824(12) 0.2388(4) 0.040(2) Uani 1 1 d .
H12 H 0.7064 0.5029 0.2306 0.049 Uiso 1 1 calc R
C17 C 0.7997(5) 0.0274(12) 0.3840(4) 0.0383(19) Uani 1 1 d .
C18 C 0.8596(6) 0.1560(15) 0.4425(5) 0.052(3) Uani 1 1 d .
C19 C 0.8531(6) -0.1078(15) 0.3721(5) 0.047(2) Uani 1 1 d .
C20 C 0.7469(5) -0.0719(12) 0.4076(4) 0.0364(18) Uani 1 1 d .
C21 C 0.6771(6) 0.0192(13) 0.4008(5) 0.044(2) Uani 1 1 d .
H21 H 0.6627 0.1359 0.3817 0.053 Uiso 1 1 calc R
C22 C 0.6297(5) -0.0636(13) 0.4225(5) 0.0404(19) Uani 1 1 d .
H22 H 0.5842 -0.0007 0.4186 0.048 Uiso 1 1 calc R
C23 C 0.6486(5) -0.2375(12) 0.4496(4) 0.0363(18) Uani 1 1 d .
C25 C 0.7177(7) -0.3261(14) 0.4573(6) 0.057(3) Uani 1 1 d .
H25 H 0.7313 -0.4434 0.4759 0.068 Uiso 1 1 calc R
C26 C 0.7675(6) -0.2427(15) 0.4376(6) 0.055(3) Uani 1 1 d .
H26 H 0.8154 -0.3029 0.4448 0.066 Uiso 1 1 calc R
O4 O 0.6030(4) 0.5161(9) 0.1087(3) 0.0485(16) Uani 1 1 d .
C24 C 0.5939(5) -0.3276(12) 0.4705(4) 0.0383(19) Uani 1 1 d .
O6 O 0.6153(4) -0.4847(9) 0.4968(3) 0.0429(15) Uani 1 1 d .
O5 O 0.5286(4) -0.2425(9) 0.4581(3) 0.0449(15) 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'
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
O3 Zn1 O5 91.7(3) . 4
O3 Zn1 O4 167.6(3) . 3_665
O5 Zn1 O4 88.9(3) 4 3_665
O3 Zn1 O6 88.3(3) . 2_665
O5 Zn1 O6 168.0(3) 4 2_665
O4 Zn1 O6 88.6(3) 3_665 2_665
O3 Zn1 O1 99.7(3) . .
O5 Zn1 O1 100.8(3) 4 .
O4 Zn1 O1 92.4(3) 3_665 .
O6 Zn1 O1 91.1(2) 2_665 .
O3 Zn1 Zn1 85.2(2) . 3_665
O5 Zn1 Zn1 87.9(2) 4 3_665
O4 Zn1 Zn1 82.4(2) 3_665 3_665
O6 Zn1 Zn1 80.16(19) 2_665 3_665
O1 Zn1 Zn1 169.85(17) . 3_665
C1 O1 Zn1 127.7(6) . .
C1 O2 H2A 109.5 . .
C10 O3 Zn1 121.5(6) . .
O1 C1 O2 123.8(9) . .
O1 C1 C2 123.6(8) . .
O2 C1 C2 112.5(8) . .
C3 C2 C7 119.8(9) . .
C3 C2 C1 120.6(8) . .
C7 C2 C1 119.6(8) . .
C2 C3 C4 119.4(9) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 C3 120.8(8) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
C4 C5 C6 118.6(9) . .
C4 C5 C8 117.9(7) . .
C6 C5 C8 123.5(8) . .
C7 C6 C5 120.5(9) . .
C7 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C6 C7 C2 120.4(9) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
C9 C8 C9 109.0(12) 2_554 .
C9 C8 C5 112.8(5) 2_554 .
C9 C8 C5 106.8(6) . .
C9 C8 C5 106.8(6) 2_554 2_554
C9 C8 C5 112.8(5) . 2_554
C5 C8 C5 108.7(10) . 2_554
F3 C9 F1 106.8(8) . .
F3 C9 F2 107.0(9) . .
F1 C9 F2 108.1(11) . .
F3 C9 C8 113.0(11) . .
F1 C9 C8 110.1(8) . .
F2 C9 C8 111.6(8) . .
O3 C10 O4 126.6(8) . .
O3 C10 C11 118.1(8) . .
O4 C10 C11 115.3(8) . .
C12 C11 C16 121.0(8) . .
C12 C11 C10 119.6(8) . .
C16 C11 C10 119.3(8) . .
C11 C16 C15 118.0(9) . .
C11 C16 H16 121.0 . .
C15 C16 H16 121.0 . .
C14 C15 C16 121.8(9) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C13 C14 C15 119.6(8) . .
C13 C14 C17 122.1(8) . .
C15 C14 C17 118.3(8) . .
C12 C13 C14 118.8(8) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
C11 C12 C13 120.9(8) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C18 C17 C14 114.3(8) . .
C18 C17 C19 108.7(8) . .
C14 C17 C19 106.5(7) . .
C18 C17 C20 105.5(7) . .
C14 C17 C20 110.0(6) . .
C19 C17 C20 112.0(7) . .
F6 C18 F5 106.5(9) . .
F6 C18 F4 107.0(8) . .
F5 C18 F4 106.5(9) . .
F6 C18 C17 113.0(9) . .
F5 C18 C17 111.6(8) . .
F4 C18 C17 111.9(8) . .
F7 C19 F8 105.3(8) . .
F7 C19 F9 106.5(7) . .
F8 C19 F9 106.5(8) . .
F7 C19 C17 111.1(8) . .
F8 C19 C17 112.8(7) . .
F9 C19 C17 114.0(8) . .
C26 C20 C21 118.2(7) . .
C26 C20 C17 123.1(8) . .
C21 C20 C17 118.7(8) . .
C22 C21 C20 120.2(8) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C23 C22 C21 121.1(8) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C22 C23 C25 118.8(8) . .
C22 C23 C24 120.0(8) . .
C25 C23 C24 121.1(8) . .
C23 C25 C26 120.8(9) . .
C23 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C20 C26 C25 120.7(9) . .
C20 C26 H26 119.6 . .
C25 C26 H26 119.6 . .
C10 O4 Zn1 124.2(6) . 3_665
O6 C24 O5 124.8(7) . .
O6 C24 C23 117.6(8) . .
O5 C24 C23 117.6(8) . .
C24 O6 Zn1 126.4(6) . 2_645
C24 O5 Zn1 120.7(6) . 4_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.945(6) .
Zn1 O5 1.948(6) 4
Zn1 O4 1.947(6) 3_665
Zn1 O6 2.015(6) 2_665
Zn1 O1 2.222(6) .
Zn1 Zn1 2.649(3) 3_665
F1 C9 1.340(13) .
F2 C9 1.331(14) .
F3 C9 1.324(14) .
F4 C18 1.350(11) .
F6 C18 1.333(11) .
F5 C18 1.336(13) .
F9 C19 1.335(11) .
F8 C19 1.345(13) .
F7 C19 1.346(10) .
O1 C1 1.212(11) .
O2 C1 1.329(12) .
O2 H2A 0.8200 .
O3 C10 1.234(11) .
C1 C2 1.493(13) .
C2 C3 1.383(12) .
C2 C7 1.392(13) .
C3 C4 1.407(13) .
C3 H3 0.9300 .
C4 C5 1.374(13) .
C4 H4 0.9300 .
C5 C6 1.415(12) .
C5 C8 1.542(11) .
C6 C7 1.366(14) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.557(13) 2_554
C8 C9 1.557(13) .
C8 C5 1.542(11) 2_554
C10 O4 1.261(11) .
C10 C11 1.512(11) .
C11 C12 1.383(13) .
C11 C16 1.388(14) .
C16 C15 1.401(12) .
C16 H16 0.9300 .
C15 C14 1.391(13) .
C15 H15 0.9300 .
C14 C13 1.396(12) .
C14 C17 1.545(11) .
C13 C12 1.405(12) .
C13 H13 0.9300 .
C12 H12 0.9300 .
C17 C18 1.529(14) .
C17 C19 1.538(13) .
C17 C20 1.557(11) .
C20 C26 1.378(13) .
C20 C21 1.400(12) .
C21 C22 1.385(12) .
C21 H21 0.9300 .
C22 C23 1.375(13) .
C22 H22 0.9300 .
C23 C25 1.372(13) .
C23 C24 1.511(11) .
C25 C26 1.392(13) .
C25 H25 0.9300 .
C26 H26 0.9300 .
O4 Zn1 1.947(6) 3_665
C24 O6 1.258(11) .
C24 O5 1.261(11) .
O6 Zn1 2.015(6) 2_645
O5 Zn1 1.948(6) 4_556
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
O3 Zn1 O1 C1 100.5(8) . .
O5 Zn1 O1 C1 -165.9(8) 4 .
O4 Zn1 O1 C1 -76.6(8) 3_665 .
O6 Zn1 O1 C1 12.0(8) 2_665 .
Zn1 Zn1 O1 C1 -18.2(16) 3_665 .
O5 Zn1 O3 C10 84.9(7) 4 .
O4 Zn1 O3 C10 -7.8(17) 3_665 .
O6 Zn1 O3 C10 -83.1(7) 2_665 .
O1 Zn1 O3 C10 -173.9(7) . .
Zn1 Zn1 O3 C10 -2.8(7) 3_665 .
Zn1 O1 C1 O2 -8.7(15) . .
Zn1 O1 C1 C2 169.3(6) . .
O1 C1 C2 C3 -179.1(9) . .
O2 C1 C2 C3 -0.9(13) . .
O1 C1 C2 C7 0.0(15) . .
O2 C1 C2 C7 178.2(9) . .
C7 C2 C3 C4 -5.5(14) . .
C1 C2 C3 C4 173.6(9) . .
C2 C3 C4 C5 0.3(15) . .
C3 C4 C5 C6 5.2(15) . .
C3 C4 C5 C8 -177.6(8) . .
C4 C5 C6 C7 -5.6(16) . .
C8 C5 C6 C7 177.4(9) . .
C5 C6 C7 C2 0.5(16) . .
C3 C2 C7 C6 5.1(15) . .
C1 C2 C7 C6 -174.0(10) . .
C4 C5 C8 C9 163.6(9) . 2_554
C6 C5 C8 C9 -19.3(13) . 2_554
C4 C5 C8 C9 -76.6(11) . .
C6 C5 C8 C9 100.4(10) . .
C4 C5 C8 C5 45.4(7) . 2_554
C6 C5 C8 C5 -137.6(11) . 2_554
C9 C8 C9 F3 -46.0(7) 2_554 .
C5 C8 C9 F3 -168.2(8) . .
C5 C8 C9 F3 72.4(11) 2_554 .
C9 C8 C9 F1 73.3(8) 2_554 .
C5 C8 C9 F1 -48.8(12) . .
C5 C8 C9 F1 -168.2(9) 2_554 .
C9 C8 C9 F2 -166.6(11) 2_554 .
C5 C8 C9 F2 71.2(10) . .
C5 C8 C9 F2 -48.2(12) 2_554 .
Zn1 O3 C10 O4 4.2(12) . .
Zn1 O3 C10 C11 -175.0(5) . .
O3 C10 C11 C12 -175.7(8) . .
O4 C10 C11 C12 5.0(12) . .
O3 C10 C11 C16 8.3(12) . .
O4 C10 C11 C16 -171.0(8) . .
C12 C11 C16 C15 0.6(14) . .
C10 C11 C16 C15 176.6(8) . .
C11 C16 C15 C14 -2.0(15) . .
C16 C15 C14 C13 2.4(15) . .
C16 C15 C14 C17 -175.6(9) . .
C15 C14 C13 C12 -1.3(14) . .
C17 C14 C13 C12 176.7(8) . .
C16 C11 C12 C13 0.5(14) . .
C10 C11 C12 C13 -175.5(8) . .
C14 C13 C12 C11 -0.1(14) . .
C13 C14 C17 C18 14.5(12) . .
C15 C14 C17 C18 -167.6(8) . .
C13 C14 C17 C19 -105.6(10) . .
C15 C14 C17 C19 72.4(10) . .
C13 C14 C17 C20 132.9(9) . .
C15 C14 C17 C20 -49.1(11) . .
C14 C17 C18 F6 171.5(8) . .
C19 C17 C18 F6 -69.8(10) . .
C20 C17 C18 F6 50.5(11) . .
C14 C17 C18 F5 51.5(10) . .
C19 C17 C18 F5 170.3(7) . .
C20 C17 C18 F5 -69.4(9) . .
C14 C17 C18 F4 -67.7(11) . .
C19 C17 C18 F4 51.1(10) . .
C20 C17 C18 F4 171.4(8) . .
C18 C17 C19 F7 -74.5(10) . .
C14 C17 C19 F7 49.1(10) . .
C20 C17 C19 F7 169.4(8) . .
C18 C17 C19 F8 167.6(7) . .
C14 C17 C19 F8 -68.8(9) . .
C20 C17 C19 F8 51.4(10) . .
C18 C17 C19 F9 45.9(10) . .
C14 C17 C19 F9 169.5(7) . .
C20 C17 C19 F9 -70.2(10) . .
C18 C17 C20 C26 -96.2(11) . .
C14 C17 C20 C26 140.1(10) . .
C19 C17 C20 C26 21.9(13) . .
C18 C17 C20 C21 81.0(10) . .
C14 C17 C20 C21 -42.7(11) . .
C19 C17 C20 C21 -160.9(8) . .
C26 C20 C21 C22 -1.5(15) . .
C17 C20 C21 C22 -178.8(8) . .
C20 C21 C22 C23 -1.4(14) . .
C21 C22 C23 C25 2.3(15) . .
C21 C22 C23 C24 -177.8(8) . .
C22 C23 C25 C26 -0.4(17) . .
C24 C23 C25 C26 179.7(10) . .
C21 C20 C26 C25 3.4(16) . .
C17 C20 C26 C25 -179.4(10) . .
C23 C25 C26 C20 -2.5(18) . .
O3 C10 O4 Zn1 -2.8(13) . 3_665
C11 C10 O4 Zn1 176.5(5) . 3_665
C22 C23 C24 O6 -178.1(8) . .
C25 C23 C24 O6 1.8(13) . .
C22 C23 C24 O5 4.3(13) . .
C25 C23 C24 O5 -175.8(9) . .
O5 C24 O6 Zn1 2.8(13) . 2_645
C23 C24 O6 Zn1 -174.6(5) . 2_645
O6 C24 O5 Zn1 -1.3(12) . 4_556
C23 C24 O5 Zn1 176.0(6) . 4_556
