#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:46:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180448 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/17/7211753.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_7211753
loop_
_publ_author_name
'Gándara, Felipe'
'Medina, Manuela E.'
'Snejko, Natalia'
'Gutiérrez-Puebla, Enrique'
'Proserpio, Davide M.'
'Angeles Monge, M.'
_publ_section_title
;
 Ligand dependent topology changes in six zinc coordination polymers
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              711
_journal_paper_doi               10.1039/b914147b
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C58 H36 F12 N4 O8 Zn2'
_chemical_formula_sum            'C58 H36 F12 N4 O8 Zn2'
_chemical_formula_weight         1275.65
_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                 91.5520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.3355(12)
_cell_length_b                   15.4292(6)
_cell_length_c                   23.8481(9)
_cell_measurement_reflns_used    5184
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      22.02
_cell_measurement_theta_min      2.24
_cell_volume                     11525.9(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0922
_diffrn_reflns_av_sigmaI/netI    0.1234
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            38643
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.928
_exptl_absorpt_correction_T_max  0.9129
_exptl_absorpt_correction_T_min  0.7079
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5152
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         11365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.192
_refine_ls_R_factor_all          0.1990
_refine_ls_R_factor_gt           0.1123
_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)+(0.0002P)²+44.8206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                6894
_reflns_number_total             11365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914147b.txt
_cod_data_source_block           compound3
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7211753
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
O8 O 0.04892(14) 0.7363(3) 0.55035(17) 0.0538(12) Uani 1 1 d .
O7 O 0.00508(14) 0.6227(3) 0.55262(16) 0.0469(11) Uani 1 1 d .
C34 C 0.0366(2) 0.6656(5) 0.5705(3) 0.0444(17) Uani 1 1 d .
C31 C 0.06289(19) 0.6299(4) 0.6190(2) 0.0387(16) Uani 1 1 d .
C30 C 0.0938(2) 0.6806(4) 0.6452(2) 0.0497(17) Uani 1 1 d .
H30 H 0.0968 0.7382 0.6345 0.060 Uiso 1 1 calc R
O3 O -0.00577(14) -0.1389(3) 1.42114(17) 0.0528(12) Uani 1 1 d .
O4 O -0.05237(13) -0.2486(3) 1.42268(16) 0.0482(12) Uani 1 1 d .
C17 C -0.0377(2) -0.1791(4) 1.4033(2) 0.0377(15) Uani 1 1 d .
C14 C -0.0627(2) -0.1408(4) 1.3541(2) 0.0367(15) Uani 1 1 d .
C15 C -0.0507(2) -0.0609(4) 1.3330(2) 0.0468(18) Uani 1 1 d .
H15 H -0.0259 -0.0343 1.3466 0.056 Uiso 1 1 calc R
C13 C -0.09904(19) -0.1801(4) 1.3320(2) 0.0450(16) Uani 1 1 d .
H13 H -0.1068 -0.2347 1.3447 0.054 Uiso 1 1 calc R
C16 C -0.0755(2) -0.0207(4) 1.2919(2) 0.0461(17) Uani 1 1 d .
H16 H -0.0670 0.0326 1.2779 0.055 Uiso 1 1 calc R
C12 C -0.1240(2) -0.1392(4) 1.2912(2) 0.0464(17) Uani 1 1 d .
H12 H -0.1485 -0.1662 1.2772 0.056 Uiso 1 1 calc R
C11 C -0.11277(19) -0.0584(4) 1.2711(2) 0.0381(16) Uani 1 1 d .
Zn1 Zn 0.03082(2) 0.18118(4) 0.98690(3) 0.03150(18) Uani 1 1 d .
Zn2 Zn -0.03144(2) 0.32728(4) 0.98812(3) 0.03130(18) Uani 1 1 d .
C5 C -0.11389(18) 0.0453(4) 1.1881(2) 0.0349(15) Uani 1 1 d .
C22 C 0.11859(19) 0.4665(4) 0.7910(2) 0.0359(15) Uani 1 1 d .
C19 C 0.06921(19) 0.3829(4) 0.8707(2) 0.0339(15) Uani 1 1 d .
C6 C -0.08342(19) -0.0015(4) 1.1591(2) 0.0391(16) Uani 1 1 d .
H6 H -0.0790 -0.0597 1.1677 0.047 Uiso 1 1 calc R
C7 C -0.05967(18) 0.0371(4) 1.1178(2) 0.0363(15) Uani 1 1 d .
H7 H -0.0395 0.0048 1.0990 0.044 Uiso 1 1 calc R
C26 C 0.1772(2) 0.4618(5) 0.7177(3) 0.058(2) Uani 1 1 d .
C23 C 0.0838(2) 0.5070(4) 0.8148(3) 0.0458(17) Uani 1 1 d .
H23 H 0.0766 0.5629 0.8036 0.055 Uiso 1 1 calc R
C25 C 0.14500(18) 0.5189(4) 0.7498(3) 0.0403(16) Uani 1 1 d .
C18 C 0.0438(2) 0.3372(4) 0.9154(2) 0.0361(15) Uani 1 1 d .
C2 C -0.06578(18) 0.1241(4) 1.1043(2) 0.0350(15) Uani 1 1 d .
C28 C 0.11564(19) 0.5624(4) 0.7049(2) 0.0396(16) Uani 1 1 d .
C33 C 0.0839(2) 0.5127(4) 0.6795(2) 0.0434(17) Uani 1 1 d .
H33 H 0.0800 0.4560 0.6914 0.052 Uiso 1 1 calc R
C8 C -0.14131(18) -0.0040(4) 1.2308(3) 0.0409(16) Uani 1 1 d .
C1 C -0.0412(2) 0.1656(4) 1.0587(2) 0.0404(16) Uani 1 1 d .
C20 C 0.1025(2) 0.3409(4) 0.8465(3) 0.0462(17) Uani 1 1 d .
H20 H 0.1084 0.2837 0.8564 0.055 Uiso 1 1 calc R
C3 C -0.09567(19) 0.1701(4) 1.1333(2) 0.0448(16) Uani 1 1 d .
H3 H -0.0999 0.2284 1.1251 0.054 Uiso 1 1 calc R
C37 C -0.1513(2) 0.5225(4) 0.9680(3) 0.0441(17) Uani 1 1 d .
C4 C -0.11948(19) 0.1315(4) 1.1744(3) 0.0435(17) Uani 1 1 d .
H4 H -0.1396 0.1641 1.1931 0.052 Uiso 1 1 calc R
C39 C -0.0798(2) 0.4910(4) 0.9992(2) 0.0418(16) Uani 1 1 d .
H39 H -0.0543 0.5108 1.0152 0.050 Uiso 1 1 calc R
C24 C 0.0597(2) 0.4666(4) 0.8546(3) 0.0444(17) Uani 1 1 d .
H24 H 0.0371 0.4958 0.8705 0.053 Uiso 1 1 calc R
C49 C 0.1514(2) -0.0082(4) 1.0141(3) 0.0478(18) Uani 1 1 d .
C21 C 0.1275(2) 0.3820(4) 0.8077(3) 0.0492(18) Uani 1 1 d .
H21 H 0.1505 0.3528 0.7926 0.059 Uiso 1 1 calc R
C29 C 0.1204(2) 0.6474(4) 0.6872(3) 0.0483(18) Uani 1 1 d .
H29 H 0.1416 0.6822 0.7036 0.058 Uiso 1 1 calc R
C42 C -0.2165(2) 0.7259(5) 0.9301(3) 0.0521(18) Uani 1 1 d .
C32 C 0.05787(19) 0.5453(4) 0.6364(2) 0.0417(16) Uani 1 1 d .
H32 H 0.0371 0.5103 0.6194 0.050 Uiso 1 1 calc R
C47 C 0.0779(2) 0.0263(4) 1.0258(3) 0.065(2) Uani 1 1 d .
H47 H 0.0519 0.0122 1.0414 0.078 Uiso 1 1 calc R
C27 C 0.1713(3) 0.5852(6) 0.7862(3) 0.063(2) Uani 1 1 d .
C38 C -0.1130(2) 0.5481(4) 0.9928(2) 0.0457(17) Uani 1 1 d .
H38 H -0.1098 0.6049 1.0053 0.055 Uiso 1 1 calc R
C54 C 0.2290(2) -0.1824(5) 1.0739(3) 0.0604(19) Uani 1 1 d .
C52 C 0.1895(2) -0.0625(4) 1.0260(3) 0.061(2) Uani 1 1 d .
H52 H 0.2139 -0.0503 1.0062 0.073 Uiso 1 1 calc R
C50 C 0.1534(2) 0.0633(4) 0.9801(3) 0.056(2) Uani 1 1 d .
H50 H 0.1787 0.0777 0.9629 0.067 Uiso 1 1 calc R
C40 C -0.1867(2) 0.5829(5) 0.9547(3) 0.0524(19) Uani 1 1 d .
H40 H -0.2141 0.5600 0.9522 0.063 Uiso 1 1 calc R
C10 C -0.1732(2) -0.0605(6) 1.1962(3) 0.060(2) Uani 1 1 d .
C35 C -0.1199(2) 0.3819(4) 0.9611(3) 0.0530(18) Uani 1 1 d .
H35 H -0.1226 0.3242 0.9502 0.064 Uiso 1 1 calc R
C41 C -0.1824(2) 0.6659(5) 0.9464(3) 0.0590(19) Uani 1 1 d .
H41 H -0.1552 0.6890 0.9512 0.071 Uiso 1 1 calc R
C53 C 0.1916(2) -0.1265(4) 1.0623(3) 0.063(2) Uani 1 1 d .
H53 H 0.1673 -0.1375 1.0826 0.076 Uiso 1 1 calc R
C9 C -0.1672(3) 0.0572(5) 1.2683(3) 0.064(2) Uani 1 1 d .
C48 C 0.1122(2) -0.0273(5) 1.0353(3) 0.078(3) Uani 1 1 d .
H48 H 0.1089 -0.0774 1.0565 0.094 Uiso 1 1 calc R
C51 C 0.1175(2) 0.1134(4) 0.9718(3) 0.0500(18) Uani 1 1 d .
H51 H 0.1194 0.1612 0.9483 0.060 Uiso 1 1 calc R
C36 C -0.1546(2) 0.4350(4) 0.9532(3) 0.0559(19) Uani 1 1 d .
H36 H -0.1801 0.4131 0.9382 0.067 Uiso 1 1 calc R
C55 C 0.2665(2) -0.1673(5) 1.0523(3) 0.066(2) Uani 1 1 d .
H55 H 0.2710 -0.1179 1.0310 0.079 Uiso 1 1 calc R
C56 C 0.2983(3) -0.2249(6) 1.0619(4) 0.091(3) Uani 1 1 d .
H56 H 0.3249 -0.2146 1.0466 0.110 Uiso 1 1 calc R
C58 C 0.2537(3) -0.3105(6) 1.1151(4) 0.100(3) Uani 1 1 d .
H58 H 0.2494 -0.3595 1.1370 0.120 Uiso 1 1 calc R
C57 C 0.2926(3) -0.2971(6) 1.0930(4) 0.087(3) Uani 1 1 d .
H57 H 0.3148 -0.3365 1.0990 0.104 Uiso 1 1 calc R
C43 C -0.2070(2) 0.8105(5) 0.9154(3) 0.071(2) Uani 1 1 d .
H43 H -0.1787 0.8283 0.9146 0.085 Uiso 1 1 calc R
C44 C -0.2389(3) 0.8680(5) 0.9019(3) 0.077(2) Uani 1 1 d .
H44 H -0.2325 0.9247 0.8920 0.092 Uiso 1 1 calc R
C45 C -0.2803(3) 0.8408(5) 0.9033(3) 0.072(2) Uani 1 1 d .
H45 H -0.3029 0.8780 0.8947 0.087 Uiso 1 1 calc R
C46 C -0.2872(2) 0.7555(5) 0.9180(3) 0.071(2) Uani 1 1 d .
H46 H -0.3153 0.7365 0.9183 0.086 Uiso 1 1 calc R
F1 F -0.19818(13) 0.0994(3) 1.23992(18) 0.0872(15) Uani 1 1 d .
F2 F -0.14216(15) 0.1169(3) 1.29258(17) 0.0777(13) Uani 1 1 d .
F3 F -0.18572(14) 0.0134(3) 1.30951(18) 0.0932(16) Uani 1 1 d .
F4 F -0.20438(12) -0.0943(3) 1.22614(17) 0.0835(14) Uani 1 1 d .
F5 F -0.15394(13) -0.1268(3) 1.17137(16) 0.0680(12) Uani 1 1 d .
F6 F -0.19232(12) -0.0143(3) 1.15480(17) 0.0816(14) Uani 1 1 d .
F7 F 0.20821(12) 0.4295(3) 0.75063(17) 0.0822(14) Uani 1 1 d .
F8 F 0.15739(13) 0.3947(3) 0.69303(16) 0.0691(12) Uani 1 1 d .
F9 F 0.19579(12) 0.5065(3) 0.67722(17) 0.0805(14) Uani 1 1 d .
F10 F 0.20159(13) 0.6249(3) 0.75691(18) 0.0843(14) Uani 1 1 d .
F11 F 0.14640(14) 0.6470(3) 0.80628(16) 0.0721(12) Uani 1 1 d .
F12 F 0.19102(13) 0.5463(3) 0.82935(17) 0.0843(15) Uani 1 1 d .
N3 N 0.08059(15) 0.0981(3) 0.9950(2) 0.0359(12) Uani 1 1 d .
N1 N -0.08254(15) 0.4080(3) 0.98346(19) 0.0332(12) Uani 1 1 d .
N4 N 0.2208(2) -0.2535(5) 1.1059(3) 0.109(3) Uani 1 1 d .
N2 N -0.25698(19) 0.6984(4) 0.9317(2) 0.0616(17) Uani 1 1 d .
O1 O -0.00979(14) 0.1247(3) 1.04044(17) 0.0497(12) Uani 1 1 d .
O2 O -0.05433(13) 0.2383(3) 1.04218(17) 0.0503(12) Uani 1 1 d .
O6 O 0.01130(13) 0.3756(3) 0.93271(16) 0.0435(11) Uani 1 1 d .
O5 O 0.05770(14) 0.2656(3) 0.93221(17) 0.0528(12) 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'
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'
Zn Zn 0.2839 1.4301 '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'
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
C34 O8 Zn1 137.8(4) . 6_565
C34 O7 Zn2 118.5(4) . 6_565
O7 C34 O8 125.1(6) . .
O7 C34 C31 118.6(6) . .
O8 C34 C31 116.3(6) . .
C32 C31 C30 118.8(6) . .
C32 C31 C34 120.8(6) . .
C30 C31 C34 120.3(6) . .
C29 C30 C31 121.3(6) . .
C29 C30 H30 119.3 . .
C31 C30 H30 119.3 . .
C17 O3 Zn1 122.6(4) . 6_556
C17 O4 Zn2 131.7(4) . 6_556
O3 C17 O4 126.7(6) . .
O3 C17 C14 117.7(6) . .
O4 C17 C14 115.6(6) . .
C13 C14 C15 118.7(6) . .
C13 C14 C17 121.8(5) . .
C15 C14 C17 119.3(6) . .
C16 C15 C14 120.2(6) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C14 C13 C12 120.8(6) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C15 C16 C11 121.2(6) . .
C15 C16 H16 119.4 . .
C11 C16 H16 119.4 . .
C13 C12 C11 120.7(6) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C12 C11 C16 118.3(5) . .
C12 C11 C8 123.8(6) . .
C16 C11 C8 117.7(5) . .
O1 Zn1 N3 99.38(19) . .
O1 Zn1 O3 89.84(18) . 6
N3 Zn1 O3 106.80(18) . 6
O1 Zn1 O5 162.77(18) . .
N3 Zn1 O5 97.76(19) . .
O3 Zn1 O5 86.87(18) 6 .
O1 Zn1 O8 88.17(18) . 6_566
N3 Zn1 O8 97.23(18) . 6_566
O3 Zn1 O8 155.88(18) 6 6_566
O5 Zn1 O8 87.96(18) . 6_566
O1 Zn1 Zn2 84.08(13) . .
N3 Zn1 Zn2 168.66(14) . .
O3 Zn1 Zn2 83.91(13) 6 .
O5 Zn1 Zn2 78.76(12) . .
O8 Zn1 Zn2 71.98(12) 6_566 .
O2 Zn2 N1 99.09(18) . .
O2 Zn2 O7 88.71(17) . 6_566
N1 Zn2 O7 103.57(18) . 6_566
O2 Zn2 O6 154.95(17) . .
N1 Zn2 O6 105.66(18) . .
O7 Zn2 O6 89.17(17) 6_566 .
O2 Zn2 O4 88.40(17) . 6
N1 Zn2 O4 94.89(18) . 6
O7 Zn2 O4 161.54(18) 6_566 6
O6 Zn2 O4 85.78(16) . 6
O2 Zn2 Zn1 74.77(12) . .
N1 Zn2 Zn1 168.22(14) . .
O7 Zn2 Zn1 86.53(13) 6_566 .
O6 Zn2 Zn1 80.19(12) . .
O4 Zn2 Zn1 75.13(12) 6 .
C4 C5 C6 117.8(5) . .
C4 C5 C8 124.0(6) . .
C6 C5 C8 118.0(5) . .
C21 C22 C23 117.3(6) . .
C21 C22 C25 124.8(6) . .
C23 C22 C25 117.9(5) . .
C20 C19 C24 119.1(6) . .
C20 C19 C18 119.7(6) . .
C24 C19 C18 121.2(6) . .
C7 C6 C5 121.2(5) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C6 C7 C2 120.4(6) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
F7 C26 F9 107.1(6) . .
F7 C26 F8 107.1(6) . .
F9 C26 F8 106.8(6) . .
F7 C26 C25 113.2(6) . .
F9 C26 C25 111.4(6) . .
F8 C26 C25 110.9(6) . .
C24 C23 C22 121.9(6) . .
C24 C23 H23 119.1 . .
C22 C23 H23 119.1 . .
C22 C25 C28 110.6(5) . .
C22 C25 C26 112.7(5) . .
C28 C25 C26 106.6(5) . .
C22 C25 C27 106.0(5) . .
C28 C25 C27 113.2(5) . .
C26 C25 C27 107.8(6) . .
O5 C18 O6 126.0(6) . .
O5 C18 C19 116.8(6) . .
O6 C18 C19 117.1(6) . .
C3 C2 C7 118.2(6) . .
C3 C2 C1 121.0(6) . .
C7 C2 C1 120.8(6) . .
C33 C28 C29 118.2(6) . .
C33 C28 C25 118.0(5) . .
C29 C28 C25 123.7(6) . .
C28 C33 C32 121.6(6) . .
C28 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
C11 C8 C10 112.4(5) . .
C11 C8 C9 106.0(5) . .
C10 C8 C9 108.1(6) . .
C11 C8 C5 110.7(5) . .
C10 C8 C5 106.8(5) . .
C9 C8 C5 112.9(5) . .
O2 C1 O1 126.4(6) . .
O2 C1 C2 116.2(6) . .
O1 C1 C2 117.4(6) . .
C19 C20 C21 121.2(6) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C2 C3 C4 121.4(6) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C38 C37 C36 116.3(6) . .
C38 C37 C40 123.3(6) . .
C36 C37 C40 120.3(6) . .
C5 C4 C3 121.0(6) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
N1 C39 C38 122.9(6) . .
N1 C39 H39 118.5 . .
C38 C39 H39 118.5 . .
C23 C24 C19 119.9(6) . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C50 C49 C48 116.4(6) . .
C50 C49 C52 121.4(6) . .
C48 C49 C52 122.2(6) . .
C20 C21 C22 120.5(6) . .
C20 C21 H21 119.7 . .
C22 C21 H21 119.8 . .
C30 C29 C28 120.2(6) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
N2 C42 C43 121.1(6) . .
N2 C42 C41 118.6(7) . .
C43 C42 C41 120.3(7) . .
C31 C32 C33 119.8(6) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
N3 C47 C48 122.2(6) . .
N3 C47 H47 118.9 . .
C48 C47 H47 118.9 . .
F12 C27 F11 108.0(7) . .
F12 C27 F10 106.8(6) . .
F11 C27 F10 106.9(7) . .
F12 C27 C25 111.1(6) . .
F11 C27 C25 111.4(6) . .
F10 C27 C25 112.4(6) . .
C39 C38 C37 120.8(6) . .
C39 C38 H38 119.6 . .
C37 C38 H38 119.6 . .
C55 C54 N4 122.9(7) . .
C55 C54 C53 122.4(7) . .
N4 C54 C53 114.7(7) . .
C53 C52 C49 125.4(7) . .
C53 C52 H52 117.3 . .
C49 C52 H52 117.3 . .
C49 C50 C51 119.3(6) . .
C49 C50 H50 120.4 . .
C51 C50 H50 120.4 . .
C41 C40 C37 125.1(7) . .
C41 C40 H40 117.5 . .
C37 C40 H40 117.5 . .
F5 C10 F4 106.6(7) . .
F5 C10 F6 106.2(6) . .
F4 C10 F6 106.3(6) . .
F5 C10 C8 112.1(6) . .
F4 C10 C8 114.0(6) . .
F6 C10 C8 111.1(6) . .
N1 C35 C36 123.9(6) . .
N1 C35 H35 118.1 . .
C36 C35 H35 118.1 . .
C40 C41 C42 126.0(7) . .
C40 C41 H41 117.0 . .
C42 C41 H41 117.0 . .
C52 C53 C54 126.1(7) . .
C52 C53 H53 116.9 . .
C54 C53 H53 116.9 . .
F2 C9 F1 107.1(6) . .
F2 C9 F3 106.9(7) . .
F1 C9 F3 107.2(6) . .
F2 C9 C8 111.1(6) . .
F1 C9 C8 113.0(6) . .
F3 C9 C8 111.2(6) . .
C47 C48 C49 121.0(6) . .
C47 C48 H48 119.5 . .
C49 C48 H48 119.5 . .
N3 C51 C50 124.2(6) . .
N3 C51 H51 117.9 . .
C50 C51 H51 117.9 . .
C35 C36 C37 119.3(6) . .
C35 C36 H36 120.3 . .
C37 C36 H36 120.3 . .
C54 C55 C56 118.8(7) . .
C54 C55 H55 120.6 . .
C56 C55 H55 120.6 . .
C55 C56 C57 121.7(8) . .
C55 C56 H56 119.1 . .
C57 C56 H56 119.1 . .
C57 C58 N4 121.4(8) . .
C57 C58 H58 119.3 . .
N4 C58 H58 119.3 . .
C56 C57 C58 118.2(8) . .
C56 C57 H57 120.9 . .
C58 C57 H57 120.9 . .
C44 C43 C42 120.7(7) . .
C44 C43 H43 119.7 . .
C42 C43 H43 119.7 . .
C45 C44 C43 118.8(7) . .
C45 C44 H44 120.6 . .
C43 C44 H44 120.6 . .
C44 C45 C46 117.1(7) . .
C44 C45 H45 121.5 . .
C46 C45 H45 121.5 . .
N2 C46 C45 125.5(7) . .
N2 C46 H46 117.3 . .
C45 C46 H46 117.3 . .
C51 N3 C47 116.7(5) . .
C51 N3 Zn1 122.0(4) . .
C47 N3 Zn1 121.3(4) . .
C39 N1 C35 116.7(5) . .
C39 N1 Zn2 121.9(4) . .
C35 N1 Zn2 121.2(4) . .
C54 N4 C58 117.1(7) . .
C46 N2 C42 116.8(6) . .
C1 O1 Zn1 120.9(4) . .
C1 O2 Zn2 133.4(4) . .
C18 O6 Zn2 126.2(4) . .
C18 O5 Zn1 128.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O8 C34 1.258(7) .
O8 Zn1 2.046(4) 6_565
O7 C34 1.253(7) .
O7 Zn2 2.043(4) 6_565
C34 C31 1.506(8) .
C31 C32 1.380(8) .
C31 C30 1.383(8) .
C30 C29 1.382(8) .
C30 H30 0.9300 .
O3 C17 1.243(7) .
O3 Zn1 2.025(4) 6_556
O4 C17 1.258(7) .
O4 Zn2 2.070(4) 6_556
C17 C14 1.513(8) .
C14 C13 1.382(8) .
C14 C15 1.387(8) .
C15 C16 1.382(8) .
C15 H15 0.9300 .
C13 C12 1.384(7) .
C13 H13 0.9300 .
C16 C11 1.385(8) .
C16 H16 0.9300 .
C12 C11 1.384(8) .
C12 H12 0.9300 .
C11 C8 1.543(8) .
Zn1 O1 2.024(4) .
Zn1 N3 2.024(5) .
Zn1 O3 2.025(4) 6
Zn1 O5 2.041(4) .
Zn1 O8 2.046(4) 6_566
Zn1 Zn2 2.9819(9) .
Zn2 O2 2.027(4) .
Zn2 N1 2.030(5) .
Zn2 O7 2.043(4) 6_566
Zn2 O6 2.047(4) .
Zn2 O4 2.070(4) 6
C5 C4 1.379(8) .
C5 C6 1.395(7) .
C5 C8 1.550(8) .
C22 C21 1.389(8) .
C22 C23 1.391(8) .
C22 C25 1.532(8) .
C19 C20 1.369(8) .
C19 C24 1.378(8) .
C19 C18 1.519(8) .
C6 C7 1.386(7) .
C6 H6 0.9300 .
C7 C2 1.391(8) .
C7 H7 0.9300 .
C26 F7 1.330(7) .
C26 F9 1.334(7) .
C26 F8 1.335(8) .
C26 C25 1.556(9) .
C23 C24 1.376(8) .
C23 H23 0.9300 .
C25 C28 1.546(8) .
C25 C27 1.562(9) .
C18 O5 1.250(7) .
C18 O6 1.259(7) .
C2 C3 1.377(7) .
C2 C1 1.493(8) .
C28 C33 1.383(8) .
C28 C29 1.388(8) .
C33 C32 1.389(7) .
C33 H33 0.9300 .
C8 C10 1.546(9) .
C8 C9 1.546(9) .
C1 O2 1.254(7) .
C1 O1 1.258(7) .
C20 C21 1.384(8) .
C20 H20 0.9300 .
C3 C4 1.383(7) .
C3 H3 0.9300 .
C37 C38 1.380(8) .
C37 C36 1.398(8) .
C37 C40 1.476(8) .
C4 H4 0.9300 .
C39 N1 1.336(7) .
C39 C38 1.369(8) .
C39 H39 0.9300 .
C24 H24 0.9300 .
C49 C50 1.371(8) .
C49 C48 1.373(8) .
C49 C52 1.479(8) .
C21 H21 0.9300 .
C29 H29 0.9300 .
C42 N2 1.338(8) .
C42 C43 1.385(9) .
C42 C41 1.458(9) .
C32 H32 0.9300 .
C47 N3 1.333(7) .
C47 C48 1.370(8) .
C47 H47 0.9300 .
C27 F12 1.330(7) .
C27 F11 1.330(8) .
C27 F10 1.342(8) .
C38 H38 0.9300 .
C54 C55 1.317(9) .
C54 N4 1.364(9) .
C54 C53 1.474(9) .
C52 C53 1.312(8) .
C52 H52 0.9300 .
C50 C51 1.374(8) .
C50 H50 0.9300 .
C40 C41 1.304(9) .
C40 H40 0.9300 .
C10 F5 1.333(8) .
C10 F4 1.333(7) .
C10 F6 1.346(7) .
C35 N1 1.337(7) .
C35 C36 1.370(8) .
C35 H35 0.9300 .
C41 H41 0.9300 .
C53 H53 0.9300 .
C9 F2 1.334(9) .
C9 F1 1.336(8) .
C9 F3 1.338(7) .
C48 H48 0.9300 .
C51 N3 1.317(7) .
C51 H51 0.9300 .
C36 H36 0.9300 .
C55 C56 1.351(10) .
C55 H55 0.9300 .
C56 C57 1.353(10) .
C56 H56 0.9300 .
C58 C57 1.357(11) .
C58 N4 1.368(9) .
C58 H58 0.9300 .
C57 H57 0.9300 .
C43 C44 1.368(9) .
C43 H43 0.9300 .
C44 C45 1.365(10) .
C44 H44 0.9300 .
C45 C46 1.379(10) .
C45 H45 0.9300 .
C46 N2 1.328(8) .
C46 H46 0.9300 .
