#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:38:02 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179539 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/08/4500864.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_4500864
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            'C44 H26 F12 N2 O9 S Zn2'
_chemical_formula_weight         1117.47
_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                 97.138(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.768(4)
_cell_length_b                   13.071(2)
_cell_length_c                   27.906(4)
_cell_measurement_temperature    293(2)
_cell_volume                     8964(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23473
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.225
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4480
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.013
_refine_diff_density_min         -1.859
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         7993
_refine_ls_number_restraints     939
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0528
_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)+(0.0643P)²+0.9281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                4762
_reflns_number_total             7993
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200389q_si_003.cif
_cod_data_source_block           wyp3
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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      'C2/c  '
_cod_database_code               4500864
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
Zn1 Zn -0.08240(2) 0.78268(4) 0.806303(19) 0.04513(18) Uani 1 1 d .
Zn2 Zn 0.27495(2) 0.06733(5) 0.785130(19) 0.05133(19) Uani 1 1 d .
C1 C -0.0010(2) 0.6638(4) 0.83908(17) 0.0493(11) Uani 1 1 d U
C2 C 0.03299(18) 0.5815(4) 0.86543(16) 0.0435(10) Uani 1 1 d U
C3 C 0.01047(19) 0.5084(4) 0.89301(17) 0.0516(11) Uani 1 1 d U
H3 H -0.0268 0.5095 0.8949 0.062 Uiso 1 1 calc R
C4 C 0.04216(18) 0.4347(4) 0.91755(17) 0.0499(11) Uani 1 1 d U
H4 H 0.0262 0.3857 0.9355 0.060 Uiso 1 1 calc R
C5 C 0.09784(17) 0.4330(3) 0.91576(15) 0.0417(10) Uani 1 1 d U
C6 C 0.12016(18) 0.5073(4) 0.88872(16) 0.0452(10) Uani 1 1 d U
H6 H 0.1575 0.5075 0.8873 0.054 Uiso 1 1 calc R
C7 C 0.08832(17) 0.5802(4) 0.86403(16) 0.0459(10) Uani 1 1 d U
H7 H 0.1042 0.6293 0.8461 0.055 Uiso 1 1 calc R
C8 C 0.13738(17) 0.3577(3) 0.94536(16) 0.0414(10) Uani 1 1 d U
C9 C 0.18488(18) 0.3315(4) 0.91705(16) 0.0422(10) Uani 1 1 d U
C10 C 0.23915(18) 0.3416(4) 0.93602(17) 0.0465(10) Uani 1 1 d U
H10 H 0.2480 0.3611 0.9681 0.056 Uiso 1 1 calc R
C11 C 0.28003(19) 0.3229(4) 0.90774(16) 0.0472(11) Uani 1 1 d U
H11 H 0.3160 0.3332 0.9208 0.057 Uiso 1 1 calc R
C12 C 0.26884(18) 0.2894(4) 0.86070(16) 0.0443(11) Uani 1 1 d U
C13 C 0.2150(2) 0.2754(4) 0.84231(18) 0.0547(12) Uani 1 1 d U
H13 H 0.2064 0.2507 0.8110 0.066 Uiso 1 1 calc R
C14 C 0.17353(19) 0.2976(4) 0.86947(17) 0.0522(11) Uani 1 1 d U
H14 H 0.1375 0.2897 0.8559 0.063 Uiso 1 1 calc R
C15 C 0.3146(2) 0.2679(4) 0.83224(17) 0.0492(11) Uani 1 1 d U
C16 C 0.1559(2) 0.4126(4) 0.99392(17) 0.0502(11) Uani 1 1 d U
C17 C 0.1102(2) 0.2559(4) 0.95684(19) 0.0547(12) Uani 1 1 d U
C18 C 0.2061(2) -0.0135(5) 0.8374(2) 0.0687(14) Uani 1 1 d U
C19 C 0.1817(2) -0.0527(4) 0.88217(17) 0.0539(12) Uani 1 1 d U
C20 C 0.2012(2) -0.0181(4) 0.92736(17) 0.0560(12) Uani 1 1 d U
H20 H 0.2291 0.0301 0.9311 0.067 Uiso 1 1 calc R
C21 C 0.17965(19) -0.0546(4) 0.96707(16) 0.0485(10) Uani 1 1 d U
H21 H 0.1933 -0.0305 0.9976 0.058 Uiso 1 1 calc R
C22 C 0.13865(17) -0.1254(4) 0.96296(15) 0.0407(9) Uani 1 1 d U
C23 C 0.11918(19) -0.1606(4) 0.91697(17) 0.0554(11) Uani 1 1 d U
H23 H 0.0915 -0.2091 0.9130 0.067 Uiso 1 1 calc R
C24 C 0.1409(2) -0.1235(4) 0.87726(18) 0.0621(13) Uani 1 1 d U
H24 H 0.1276 -0.1471 0.8466 0.074 Uiso 1 1 calc R
C25 C 0.11181(18) -0.1572(4) 1.00788(15) 0.0427(10) Uani 1 1 d U
C26 C 0.15149(17) -0.1433(4) 1.05453(15) 0.0418(10) Uani 1 1 d U
C27 C 0.14068(19) -0.0807(4) 1.09255(16) 0.0496(10) Uani 1 1 d U
H27 H 0.1084 -0.0436 1.0900 0.060 Uiso 1 1 calc R
C28 C 0.17708(19) -0.0730(4) 1.13369(16) 0.0505(11) Uani 1 1 d U
H28 H 0.1693 -0.0295 1.1583 0.061 Uiso 1 1 calc R
C29 C 0.22484(19) -0.1281(4) 1.13948(16) 0.0486(11) Uani 1 1 d U
C30 C 0.2364(2) -0.1891(4) 1.10194(17) 0.0544(12) Uani 1 1 d U
H30 H 0.2688 -0.2259 1.1047 0.065 Uiso 1 1 calc R
C31 C 0.20003(19) -0.1962(4) 1.05993(16) 0.0501(11) Uani 1 1 d U
H31 H 0.2086 -0.2376 1.0349 0.060 Uiso 1 1 calc R
C32 C 0.2623(2) -0.1224(4) 1.18630(18) 0.0581(13) Uani 1 1 d U
C33 C 0.0609(2) -0.0892(4) 1.00706(18) 0.0541(11) Uani 1 1 d U
C34 C 0.0932(2) -0.2694(4) 1.0053(2) 0.0602(12) Uani 1 1 d U
C35 C -0.0091(2) 0.9632(4) 0.8303(2) 0.0717(15) Uani 1 1 d U
H35 H 0.0143 0.9161 0.8469 0.086 Uiso 1 1 calc R
C36 C 0.0037(2) 1.0656(4) 0.8345(2) 0.0789(16) Uani 1 1 d U
H36 H 0.0353 1.0864 0.8535 0.095 Uiso 1 1 calc R
C37 C -0.0304(3) 1.1375(5) 0.8103(3) 0.0886(5) Uani 1 1 d U
C38 C -0.0759(2) 1.1017(4) 0.7821(2) 0.0654(13) Uani 1 1 d U
H38 H -0.0997 1.1470 0.7647 0.079 Uiso 1 1 calc R
C39 C -0.0859(2) 0.9993(4) 0.78009(18) 0.0565(13) Uani 1 1 d U
H39 H -0.1172 0.9769 0.7612 0.068 Uiso 1 1 calc R
C40 C -0.1592(2) 1.3873(5) 0.8193(2) 0.0813(9) Uani 1 1 d U
H40 H -0.1886 1.3762 0.8364 0.098 Uiso 1 1 calc R
C41 C -0.1159(3) 1.3226(5) 0.8276(3) 0.0957(16) Uani 1 1 d U
H41 H -0.1166 1.2690 0.8495 0.115 Uiso 1 1 calc R
C42 C -0.0718(3) 1.3366(5) 0.8039(3) 0.0886(5) Uani 1 1 d U
C43 C -0.0756(3) 1.4126(5) 0.7714(3) 0.0953(17) Uani 1 1 d U
H43 H -0.0477 1.4228 0.7525 0.114 Uiso 1 1 calc R
C44 C -0.1203(2) 1.4758(5) 0.7658(2) 0.0813(9) Uani 1 1 d U
H44 H -0.1205 1.5300 0.7442 0.098 Uiso 1 1 calc R
F1 F 0.08254(12) 0.2150(2) 0.91736(12) 0.0747(9) Uani 1 1 d .
F2 F 0.07511(13) 0.2647(2) 0.98923(12) 0.0767(9) Uani 1 1 d .
F3 F 0.14714(12) 0.1866(2) 0.97424(11) 0.0724(9) Uani 1 1 d .
F4 F 0.18656(11) 0.4936(2) 0.98722(9) 0.0573(7) Uani 1 1 d .
F5 F 0.18495(12) 0.3520(2) 1.02582(9) 0.0664(8) Uani 1 1 d .
F6 F 0.11378(12) 0.4462(2) 1.01465(10) 0.0682(9) Uani 1 1 d .
F7 F 0.13123(15) -0.3297(2) 0.99224(13) 0.0881(10) Uani 1 1 d .
F8 F 0.08191(15) -0.3018(3) 1.04863(12) 0.0983(12) Uani 1 1 d .
F9 F 0.04856(14) -0.2872(3) 0.97437(12) 0.0895(11) Uani 1 1 d .
F10 F 0.03070(12) -0.1127(3) 1.04212(12) 0.0842(10) Uani 1 1 d .
F11 F 0.02834(11) -0.0962(3) 0.96553(11) 0.0856(11) Uani 1 1 d .
F12 F 0.07411(12) 0.0089(3) 1.01239(11) 0.0719(9) Uani 1 1 d .
N1 N -0.05345(15) 0.9287(3) 0.80353(14) 0.0487(10) Uani 1 1 d .
N2 N -0.16227(19) 1.4643(4) 0.78882(18) 0.0813(9) Uani 1 1 d .
O1 O 0.01971(14) 0.7276(3) 0.81442(13) 0.0646(10) Uani 1 1 d .
O2 O -0.05104(14) 0.6666(3) 0.84405(13) 0.0690(11) Uani 1 1 d .
O3 O 0.35631(13) 0.3218(3) 0.84114(12) 0.0602(9) Uani 1 1 d .
O4 O 0.31049(13) 0.2016(3) 0.79953(11) 0.05133(19) Uani 1 1 d .
O5 O 0.1655(7) 0.0320(16) 0.8057(6) 0.059(5) Uani 0.20 1 d P
O5' O 0.1919(3) -0.0522(8) 0.7978(2) 0.144(3) Uani 0.80 1 d P
O6 O 0.24748(13) 0.0353(3) 0.84536(11) 0.05133(19) Uani 1 1 d .
O7 O 0.30914(15) -0.1544(4) 1.18897(12) 0.0778(12) Uani 1 1 d .
O8 O 0.24030(16) -0.0819(3) 1.22068(13) 0.0840(13) Uani 1 1 d .
O9 O -0.10145(16) 0.7458(3) 0.73886(12) 0.0618(10) Uani 1 1 d D
S1 S -0.01082(7) 1.26567(12) 0.81764(7) 0.0886(5) Uani 1 1 d .
H9B H -0.1323(9) 0.734(4) 0.7246(14) 0.060(17) Uiso 1 1 d D
H9A H -0.0775(12) 0.734(4) 0.7218(15) 0.08(2) Uiso 1 1 d 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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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
O2 Zn1 O9 111.22(17) . .
O2 Zn1 O3 102.41(15) . 3_455
O9 Zn1 O3 115.67(16) . 3_455
O2 Zn1 N1 128.94(16) . .
O9 Zn1 N1 103.84(17) . .
O3 Zn1 N1 94.11(15) 3_455 .
O8 Zn2 O6 132.53(16) 6 .
O8 Zn2 O4 103.87(16) 6 .
O6 Zn2 O4 102.16(14) . .
O8 Zn2 N2 111.3(2) 6 3_535
O6 Zn2 N2 99.25(16) . 3_535
O4 Zn2 N2 104.87(17) . 3_535
O1 C1 O2 121.6(5) . .
O1 C1 C2 120.7(5) . .
O2 C1 C2 117.7(5) . .
C7 C2 C3 118.6(4) . .
C7 C2 C1 119.7(4) . .
C3 C2 C1 121.7(4) . .
C4 C3 C2 121.1(4) . .
C3 C4 C5 120.2(4) . .
C6 C5 C4 118.3(4) . .
C6 C5 C8 117.8(4) . .
C4 C5 C8 123.7(4) . .
C7 C6 C5 121.2(4) . .
C6 C7 C2 120.6(4) . .
C17 C8 C9 107.3(4) . .
C17 C8 C5 113.3(4) . .
C9 C8 C5 109.9(3) . .
C17 C8 C16 107.9(4) . .
C9 C8 C16 112.9(4) . .
C5 C8 C16 105.7(4) . .
C10 C9 C14 117.6(4) . .
C10 C9 C8 123.4(4) . .
C14 C9 C8 119.0(4) . .
C11 C10 C9 120.6(4) . .
C12 C11 C10 121.7(4) . .
C11 C12 C13 117.8(4) . .
C11 C12 C15 119.5(4) . .
C13 C12 C15 122.7(4) . .
C12 C13 C14 121.2(4) . .
C13 C14 C9 120.9(4) . .
O3 C15 O4 121.6(5) . .
O3 C15 C12 116.9(4) . .
O4 C15 C12 121.4(5) . .
F4 C16 F6 106.9(4) . .
F4 C16 F5 107.3(4) . .
F6 C16 F5 107.0(4) . .
F4 C16 C8 111.0(4) . .
F6 C16 C8 111.7(4) . .
F5 C16 C8 112.6(4) . .
F3 C17 F2 106.6(4) . .
F3 C17 F1 106.6(4) . .
F2 C17 F1 106.4(4) . .
F3 C17 C8 111.4(4) . .
F2 C17 C8 113.9(4) . .
F1 C17 C8 111.5(4) . .
O6 C18 O5' 121.8(6) . .
O6 C18 O5 115.0(9) . .
O5' C18 O5 59.9(8) . .
O6 C18 C19 115.9(5) . .
O5' C18 C19 119.7(6) . .
O5 C18 C19 109.5(8) . .
C20 C19 C24 119.3(5) . .
C20 C19 C18 120.4(5) . .
C24 C19 C18 120.3(5) . .
C19 C20 C21 119.9(5) . .
C22 C21 C20 121.8(4) . .
C21 C22 C23 118.0(4) . .
C21 C22 C25 120.2(4) . .
C23 C22 C25 121.6(4) . .
C24 C23 C22 120.0(5) . .
C19 C24 C23 121.0(5) . .
C34 C25 C22 112.0(4) . .
C34 C25 C26 107.9(4) . .
C22 C25 C26 111.1(4) . .
C34 C25 C33 108.1(4) . .
C22 C25 C33 105.4(4) . .
C26 C25 C33 112.3(4) . .
C31 C26 C27 117.3(4) . .
C31 C26 C25 119.3(4) . .
C27 C26 C25 123.4(4) . .
C28 C27 C26 120.8(4) . .
C29 C28 C27 121.7(4) . .
C28 C29 C30 118.1(4) . .
C28 C29 C32 120.2(4) . .
C30 C29 C32 121.6(5) . .
C29 C30 C31 120.4(5) . .
C26 C31 C30 121.6(4) . .
O7 C32 O8 125.8(5) . .
O7 C32 C29 120.8(5) . .
O8 C32 C29 113.4(5) . .
F12 C33 F10 107.0(4) . .
F12 C33 F11 106.2(4) . .
F10 C33 F11 106.6(4) . .
F12 C33 C25 111.5(4) . .
F10 C33 C25 112.8(4) . .
F11 C33 C25 112.3(4) . .
F7 C34 F9 106.3(5) . .
F7 C34 F8 107.3(5) . .
F9 C34 F8 106.2(4) . .
F7 C34 C25 111.4(4) . .
F9 C34 C25 114.6(5) . .
F8 C34 C25 110.7(4) . .
N1 C35 C36 123.0(5) . .
C37 C36 C35 119.8(5) . .
C38 C37 C36 117.2(6) . .
C38 C37 S1 126.1(5) . .
C36 C37 S1 116.7(5) . .
C37 C38 C39 119.4(5) . .
N1 C39 C38 124.2(5) . .
N2 C40 C41 124.4(6) . .
C42 C41 C40 119.8(6) . .
C43 C42 C41 115.8(6) . .
C43 C42 S1 121.4(6) . .
C41 C42 S1 122.6(5) . .
C42 C43 C44 120.7(6) . .
N2 C44 C43 123.9(6) . .
C35 N1 C39 116.4(5) . .
C35 N1 Zn1 124.4(4) . .
C39 N1 Zn1 118.0(3) . .
C44 N2 C40 115.1(5) . .
C44 N2 Zn2 123.3(4) . 3_465
C40 N2 Zn2 121.2(4) . 3_465
C1 O2 Zn1 107.0(3) . .
C15 O3 Zn1 115.1(3) . 3_545
C15 O4 Zn2 138.9(3) . .
O5' O5 C18 54.0(9) . .
C18 O5' O5 66.1(9) . .
C18 O6 Zn2 109.7(3) . .
C32 O8 Zn2 124.6(4) . 6_556
C37 S1 C42 105.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 1.953(3) .
Zn1 O9 1.943(3) .
Zn1 O3 1.969(3) 3_455
Zn1 N1 2.044(4) .
Zn2 O8 1.904(3) 6
Zn2 O6 1.936(3) .
Zn2 O4 1.982(3) .
Zn2 N2 2.050(5) 3_535
C1 O1 1.233(6) .
C1 O2 1.264(6) .
C1 C2 1.501(6) .
C2 C7 1.376(6) .
C2 C3 1.386(6) .
C3 C4 1.371(6) .
C4 C5 1.386(6) .
C5 C6 1.386(6) .
C5 C8 1.552(6) .
C6 C7 1.367(6) .
C8 C17 1.542(7) .
C8 C9 1.535(6) .
C8 C16 1.552(6) .
C9 C10 1.388(6) .
C9 C14 1.395(6) .
C10 C11 1.381(6) .
C11 C12 1.379(6) .
C12 C13 1.381(6) .
C12 C15 1.489(6) .
C13 C14 1.380(6) .
C15 O3 1.251(6) .
C15 O4 1.253(5) .
C16 F4 1.329(5) .
C16 F6 1.330(5) .
C16 F5 1.334(5) .
C17 F3 1.336(5) .
C17 F2 1.334(6) .
C17 F1 1.335(5) .
C18 O6 1.205(6) .
C18 O5' 1.227(8) .
C18 O5 1.387(18) .
C18 C19 1.542(7) .
C19 C20 1.371(6) .
C19 C24 1.363(7) .
C20 C21 1.375(6) .
C21 C22 1.368(6) .
C22 C23 1.392(6) .
C22 C25 1.547(6) .
C23 C24 1.379(7) .
C25 C34 1.536(7) .
C25 C26 1.541(6) .
C25 C33 1.540(7) .
C26 C31 1.379(6) .
C26 C27 1.392(6) .
C27 C28 1.373(6) .
C28 C29 1.377(6) .
C29 C30 1.375(6) .
C29 C32 1.508(7) .
C30 C31 1.390(6) .
C32 O7 1.227(6) .
C32 O8 1.276(6) .
C33 F12 1.326(6) .
C33 F10 1.340(5) .
C33 F11 1.331(5) .
C34 F7 1.314(6) .
C34 F9 1.336(6) .
C34 F8 1.343(6) .
C35 N1 1.327(6) .
C35 C36 1.378(7) .
C36 C37 1.382(7) .
C37 C38 1.374(7) .
C37 S1 1.749(6) .
C38 C39 1.361(7) .
C39 N1 1.339(6) .
C40 N2 1.315(7) .
C40 C41 1.362(8) .
C41 C42 1.361(9) .
C42 C43 1.340(8) .
C42 S1 1.772(6) .
C43 C44 1.375(8) .
C44 N2 1.296(6) .
N2 Zn2 2.050(5) 3_465
O3 Zn1 1.969(3) 3_545
O5 O5' 1.31(2) .
O8 Zn2 1.904(3) 6_556
