#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:31:19 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179533 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/02/4500202.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_4500202
loop_
_publ_author_name
'Ji, Chang-Chun'
'Qin, Ling'
'Li, Yi-Zhi'
'Guo, Zi-Jian'
'Zheng, He-Gen'
_publ_section_title
;
 Effect of Different Imidazole Ancillary Ligands on Supramolecular
 Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent
 Dicarboxylate Ligand
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              480
_journal_paper_doi               10.1021/cg101261f
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C31 H22 F6 N4 O4 Zn'
_chemical_formula_sum            'C31 H22 F6 N4 O4 Zn'
_chemical_formula_weight         693.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 117.311(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.001(3)
_cell_length_b                   26.347(6)
_cell_length_c                   13.131(3)
_cell_measurement_reflns_used    1668
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      17.831
_cell_measurement_theta_min      2.332
_cell_volume                     3996.5(16)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex 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  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21385
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    0.675
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0437
_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)+(0.0300P)²+1.2200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                4634
_reflns_number_total             7842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101261f_si_002.cif
_cod_data_source_block           1
_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_cell_volume        3996.3(16)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4500202
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.8763(3) 0.61077(12) 0.2615(3) 0.0523(8) Uani 1 1 d .
C2 C 0.7636(3) 0.64016(11) 0.2194(2) 0.0473(7) Uani 1 1 d .
C3 C 0.6690(3) 0.61913(11) 0.2273(3) 0.0494(7) Uani 1 1 d .
H3 H 0.6762 0.5880 0.2634 0.059 Uiso 1 1 calc R
C4 C 0.5669(3) 0.64402(11) 0.1824(3) 0.0491(7) Uani 1 1 d .
H4 H 0.5031 0.6297 0.1855 0.059 Uiso 1 1 calc R
C5 C 0.5573(3) 0.69271(11) 0.1296(3) 0.0516(8) Uani 1 1 d .
C6 C 0.6511(3) 0.71422(12) 0.1242(3) 0.0518(8) Uani 1 1 d .
H6 H 0.6441 0.7458 0.0902 0.062 Uiso 1 1 calc R
C7 C 0.7565(3) 0.68858(12) 0.1699(2) 0.0490(7) Uani 1 1 d .
H7 H 0.8208 0.7030 0.1678 0.059 Uiso 1 1 calc R
C8 C 0.4380(3) 0.72242(11) 0.0683(3) 0.0498(8) Uani 1 1 d .
C9 C 0.3936(3) 0.71397(11) -0.0616(3) 0.0498(8) Uani 1 1 d .
C10 C 0.3519(3) 0.70399(12) 0.1054(3) 0.0527(8) Uani 1 1 d .
C11 C 0.4557(2) 0.77918(11) 0.0992(2) 0.0437(7) Uani 1 1 d .
C12 C 0.5232(3) 0.79215(11) 0.2124(3) 0.0477(7) Uani 1 1 d .
H12 H 0.5553 0.7666 0.2669 0.057 Uiso 1 1 calc R
C13 C 0.5442(3) 0.84252(11) 0.2467(3) 0.0488(7) Uani 1 1 d .
H13 H 0.5914 0.8507 0.3232 0.059 Uiso 1 1 calc R
C14 C 0.4941(3) 0.88062(11) 0.1658(3) 0.0495(8) Uani 1 1 d .
C15 C 0.4242(3) 0.86750(11) 0.0523(3) 0.0500(7) Uani 1 1 d .
H15 H 0.3894 0.8927 -0.0024 0.060 Uiso 1 1 calc R
C16 C 0.4062(3) 0.81745(11) 0.0204(3) 0.0534(8) Uani 1 1 d .
H16 H 0.3596 0.8092 -0.0561 0.064 Uiso 1 1 calc R
C17 C 0.5147(3) 0.93522(12) 0.2002(3) 0.0471(7) Uani 1 1 d .
C18 C 0.4021(2) 1.08364(11) 0.3487(2) 0.0447(7) Uani 1 1 d .
H18 H 0.4181 1.1170 0.3378 0.054 Uiso 1 1 calc R
C19 C 0.3659(2) 1.06758(11) 0.4281(2) 0.0446(7) Uani 1 1 d .
H19 H 0.3535 1.0871 0.4804 0.053 Uiso 1 1 calc R
C20 C 0.3784(2) 1.00179(11) 0.3249(2) 0.0398(6) Uani 1 1 d .
H20 H 0.3737 0.9690 0.2970 0.048 Uiso 1 1 calc R
C21 C 0.3147(2) 0.98001(11) 0.4756(3) 0.0431(7) Uani 1 1 d .
H21A H 0.3449 0.9917 0.5541 0.052 Uiso 1 1 calc R
H21B H 0.3467 0.9466 0.4770 0.052 Uiso 1 1 calc R
C22 C 0.1823(3) 0.97605(11) 0.4222(3) 0.0466(7) Uani 1 1 d .
C23 C 0.1384(3) 0.95122(11) 0.4825(3) 0.0486(7) Uani 1 1 d .
H23 H 0.1883 0.9373 0.5532 0.058 Uiso 1 1 calc R
C24 C 0.0153(3) 0.94569(11) 0.4398(2) 0.0509(8) Uani 1 1 d .
H24 H -0.0144 0.9304 0.4844 0.061 Uiso 1 1 calc R
C25 C -0.0588(3) 0.96371(11) 0.3299(3) 0.0484(7) Uani 1 1 d .
C26 C -0.0156(3) 0.98853(11) 0.2670(3) 0.0496(8) Uani 1 1 d .
H26 H -0.0659 1.0007 0.1945 0.060 Uiso 1 1 calc R
C27 C 0.1042(3) 0.99601(11) 0.3101(2) 0.0451(7) Uani 1 1 d .
H27 H 0.1330 1.0136 0.2673 0.054 Uiso 1 1 calc R
C28 C -0.1868(2) 0.95784(11) 0.2886(2) 0.0452(7) Uani 1 1 d .
H28A H -0.2000 0.9354 0.3400 0.054 Uiso 1 1 calc R
H28B H -0.2201 0.9906 0.2898 0.054 Uiso 1 1 calc R
C29 C -0.3176(3) 0.96352(11) 0.0778(2) 0.0471(7) Uani 1 1 d .
H29 H -0.3374 0.9974 0.0786 0.057 Uiso 1 1 calc R
C30 C -0.2388(3) 0.88806(11) 0.1362(3) 0.0509(8) Uani 1 1 d .
H30 H -0.1967 0.8611 0.1823 0.061 Uiso 1 1 calc R
C31 C -0.3063(3) 0.88709(11) 0.0220(2) 0.0489(7) Uani 1 1 d .
H31 H -0.3178 0.8592 -0.0254 0.059 Uiso 1 1 calc R
F1 F 0.31159(15) 0.65623(6) 0.05545(14) 0.0517(4) Uani 1 1 d .
F2 F 0.39158(15) 0.70174(6) 0.21982(14) 0.0513(4) Uani 1 1 d .
F3 F 0.25505(14) 0.73218(6) 0.05457(13) 0.0499(4) Uani 1 1 d .
F4 F 0.28555(14) 0.72740(6) -0.12391(13) 0.0462(4) Uani 1 1 d .
F5 F 0.45922(15) 0.73656(7) -0.10176(15) 0.0557(5) Uani 1 1 d .
F6 F 0.39724(15) 0.66376(6) -0.08290(14) 0.0541(5) Uani 1 1 d .
N1 N 0.4103(2) 1.04191(9) 0.2880(2) 0.0451(6) Uani 1 1 d .
N2 N 0.3529(2) 1.01559(9) 0.4109(2) 0.0405(5) Uani 1 1 d .
N3 N -0.2445(2) 0.93704(9) 0.1716(2) 0.0483(6) Uani 1 1 d .
N4 N -0.3566(2) 0.93512(9) -0.0139(2) 0.0473(6) Uani 1 1 d .
O1 O 0.96299(19) 0.63375(8) 0.26859(18) 0.0550(6) Uani 1 1 d .
O2 O 0.87481(16) 0.56446(7) 0.28516(16) 0.0425(5) Uani 1 1 d .
O3 O 0.45687(17) 0.96734(7) 0.12575(17) 0.0470(5) Uani 1 1 d .
O4 O 0.58296(18) 0.94568(7) 0.30057(17) 0.0481(5) Uani 1 1 d .
Zn1 Zn 0.46745(3) 1.039232(13) 0.17020(3) 0.04563(11) 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'
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
O1 C1 O2 124.6(3) . .
O1 C1 C2 117.9(3) . .
O2 C1 C2 117.5(3) . .
C3 C2 C7 121.2(3) . .
C3 C2 C1 120.4(3) . .
C7 C2 C1 118.4(3) . .
C4 C3 C2 119.9(3) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 119.7(3) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 120.7(3) . .
C6 C5 C8 117.0(3) . .
C4 C5 C8 122.2(3) . .
C5 C6 C7 119.9(3) . .
C5 C6 H6 120.1 . .
C7 C6 H6 120.1 . .
C6 C7 C2 118.6(3) . .
C6 C7 H7 120.7 . .
C2 C7 H7 120.7 . .
C10 C8 C11 105.9(2) . .
C10 C8 C9 110.9(3) . .
C11 C8 C9 111.5(2) . .
C10 C8 C5 112.3(3) . .
C11 C8 C5 110.6(2) . .
C9 C8 C5 105.8(2) . .
F4 C9 F5 109.3(3) . .
F4 C9 F6 105.3(2) . .
F5 C9 F6 105.4(2) . .
F4 C9 C8 113.6(3) . .
F5 C9 C8 113.0(3) . .
F6 C9 C8 109.7(2) . .
F3 C10 F2 111.7(3) . .
F3 C10 F1 101.5(2) . .
F2 C10 F1 110.6(2) . .
F3 C10 C8 109.2(2) . .
F2 C10 C8 114.7(3) . .
F1 C10 C8 108.3(3) . .
C16 C11 C12 118.4(3) . .
C16 C11 C8 123.6(3) . .
C12 C11 C8 118.0(3) . .
C11 C12 C13 121.4(3) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
C12 C13 C14 119.3(3) . .
C12 C13 H13 120.4 . .
C14 C13 H13 120.4 . .
C15 C14 C13 119.3(3) . .
C15 C14 C17 120.2(3) . .
C13 C14 C17 120.5(3) . .
C16 C15 C14 120.2(3) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C15 C16 C11 121.4(3) . .
C15 C16 H16 119.3 . .
C11 C16 H16 119.3 . .
O4 C17 O3 124.3(3) . .
O4 C17 C14 118.6(3) . .
O3 C17 C14 117.1(3) . .
N1 C18 C19 109.3(3) . .
N1 C18 H18 125.4 . .
C19 C18 H18 125.4 . .
N2 C19 C18 103.7(2) . .
N2 C19 H19 128.2 . .
C18 C19 H19 128.2 . .
N1 C20 N2 109.3(2) . .
N1 C20 H20 125.3 . .
N2 C20 H20 125.3 . .
N2 C21 C22 112.2(2) . .
N2 C21 H21A 109.2 . .
C22 C21 H21A 109.2 . .
N2 C21 H21B 109.2 . .
C22 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
C23 C22 C27 119.1(3) . .
C23 C22 C21 117.1(3) . .
C27 C22 C21 123.7(3) . .
C22 C23 C24 121.2(3) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C25 C24 C23 118.9(3) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
C26 C25 C24 120.5(3) . .
C26 C25 C28 121.8(3) . .
C24 C25 C28 117.5(3) . .
C25 C26 C27 120.8(3) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C26 C27 C22 119.3(3) . .
C26 C27 H27 120.4 . .
C22 C27 H27 120.4 . .
N3 C28 C25 111.3(2) . .
N3 C28 H28A 109.4 . .
C25 C28 H28A 109.4 . .
N3 C28 H28B 109.4 . .
C25 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
N4 C29 N3 110.9(3) . .
N4 C29 H29 124.6 . .
N3 C29 H29 124.6 . .
C31 C30 N3 106.5(3) . .
C31 C30 H30 126.8 . .
N3 C30 H30 126.8 . .
C30 C31 N4 108.8(3) . .
C30 C31 H31 125.6 . .
N4 C31 H31 125.6 . .
C20 N1 C18 107.8(2) . .
C20 N1 Zn1 123.50(19) . .
C18 N1 Zn1 128.6(2) . .
C20 N2 C19 109.9(2) . .
C20 N2 C21 125.0(2) . .
C19 N2 C21 125.1(2) . .
C29 N3 C30 107.4(2) . .
C29 N3 C28 124.5(2) . .
C30 N3 C28 128.1(2) . .
C29 N4 C31 106.5(2) . .
C29 N4 Zn1 122.8(2) . 3_575
C31 N4 Zn1 130.70(19) . 3_575
C1 O2 Zn1 105.6(2) . 2_645
C17 O3 Zn1 119.0(2) . .
O3 Zn1 O2 109.53(8) . 2_655
O3 Zn1 N1 105.25(9) . .
O2 Zn1 N1 117.55(9) 2_655 .
O3 Zn1 N4 95.80(9) . 3_575
O2 Zn1 N4 110.58(9) 2_655 3_575
N1 Zn1 N4 115.55(10) . 3_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.245(4) .
C1 O2 1.261(4) .
C1 C2 1.520(4) .
C2 C3 1.395(4) .
C2 C7 1.416(4) .
C3 C4 1.349(4) .
C3 H3 0.9300 .
C4 C5 1.436(4) .
C4 H4 0.9300 .
C5 C6 1.375(4) .
C5 C8 1.588(4) .
C6 C7 1.393(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C10 1.493(4) .
C8 C11 1.539(4) .
C8 C9 1.545(4) .
C9 F4 1.309(3) .
C9 F5 1.331(4) .
C9 F6 1.357(3) .
C10 F3 1.345(3) .
C10 F2 1.347(3) .
C10 F1 1.404(4) .
C11 C16 1.374(4) .
C11 C12 1.379(4) .
C12 C13 1.388(4) .
C12 H12 0.9300 .
C13 C14 1.388(4) .
C13 H13 0.9300 .
C14 C15 1.387(4) .
C14 C17 1.495(4) .
C15 C16 1.371(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O4 1.236(3) .
C17 O3 1.250(3) .
C18 N1 1.390(3) .
C18 C19 1.392(4) .
C18 H18 0.9300 .
C19 N2 1.386(4) .
C19 H19 0.9300 .
C20 N1 1.308(3) .
C20 N2 1.363(3) .
C20 H20 0.9300 .
C21 N2 1.495(3) .
C21 C22 1.536(4) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.340(4) .
C22 C27 1.450(4) .
C23 C24 1.439(4) .
C23 H23 0.9300 .
C24 C25 1.400(4) .
C24 H24 0.9300 .
C25 C26 1.361(4) .
C25 C28 1.503(4) .
C26 C27 1.405(4) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 N3 1.472(4) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 N4 1.307(4) .
C29 N3 1.354(4) .
C29 H29 0.9300 .
C30 C31 1.346(4) .
C30 N3 1.385(4) .
C30 H30 0.9300 .
C31 N4 1.403(4) .
C31 H31 0.9300 .
N1 Zn1 2.001(2) .
N4 Zn1 2.008(2) 3_575
O2 Zn1 1.972(2) 2_645
O3 Zn1 1.968(2) .
Zn1 O2 1.972(2) 2_655
Zn1 N4 2.008(2) 3_575
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_4
O1 C1 C2 C3 -169.5(3) .
O2 C1 C2 C3 11.6(4) .
O1 C1 C2 C7 12.0(4) .
O2 C1 C2 C7 -166.9(3) .
C7 C2 C3 C4 3.1(5) .
C1 C2 C3 C4 -175.3(3) .
C2 C3 C4 C5 -1.8(4) .
C3 C4 C5 C6 0.1(5) .
C3 C4 C5 C8 176.1(3) .
C4 C5 C6 C7 0.3(5) .
C8 C5 C6 C7 -175.9(3) .
C5 C6 C7 C2 1.0(4) .
C3 C2 C7 C6 -2.7(4) .
C1 C2 C7 C6 175.8(3) .
C6 C5 C8 C10 -164.4(3) .
C4 C5 C8 C10 19.5(4) .
C6 C5 C8 C11 -46.3(4) .
C4 C5 C8 C11 137.5(3) .
C6 C5 C8 C9 74.5(3) .
C4 C5 C8 C9 -101.7(3) .
C10 C8 C9 F4 45.3(3) .
C11 C8 C9 F4 -72.5(3) .
C5 C8 C9 F4 167.3(3) .
C10 C8 C9 F5 170.5(2) .
C11 C8 C9 F5 52.8(3) .
C5 C8 C9 F5 -67.5(3) .
C10 C8 C9 F6 -72.2(3) .
C11 C8 C9 F6 170.0(3) .
C5 C8 C9 F6 49.7(3) .
C11 C8 C10 F3 56.3(3) .
C9 C8 C10 F3 -64.7(3) .
C5 C8 C10 F3 177.2(2) .
C11 C8 C10 F2 -69.9(3) .
C9 C8 C10 F2 169.0(2) .
C5 C8 C10 F2 50.9(3) .
C11 C8 C10 F1 166.1(2) .
C9 C8 C10 F1 45.0(3) .
C5 C8 C10 F1 -73.1(3) .
C10 C8 C11 C16 -102.3(4) .
C9 C8 C11 C16 18.5(4) .
C5 C8 C11 C16 135.8(3) .
C10 C8 C11 C12 76.5(3) .
C9 C8 C11 C12 -162.8(3) .
C5 C8 C11 C12 -45.4(4) .
C16 C11 C12 C13 -1.9(5) .
C8 C11 C12 C13 179.3(3) .
C11 C12 C13 C14 1.5(5) .
C12 C13 C14 C15 -0.1(5) .
C12 C13 C14 C17 179.7(3) .
C13 C14 C15 C16 -0.8(5) .
C17 C14 C15 C16 179.3(3) .
C14 C15 C16 C11 0.4(5) .
C12 C11 C16 C15 0.9(5) .
C8 C11 C16 C15 179.7(3) .
C15 C14 C17 O4 -175.6(3) .
C13 C14 C17 O4 4.5(5) .
C15 C14 C17 O3 7.6(4) .
C13 C14 C17 O3 -172.2(3) .
N1 C18 C19 N2 -0.4(3) .
N2 C21 C22 C23 -170.4(3) .
N2 C21 C22 C27 11.8(4) .
C27 C22 C23 C24 -2.3(4) .
C21 C22 C23 C24 179.8(3) .
C22 C23 C24 C25 4.3(5) .
C23 C24 C25 C26 -3.6(5) .
C23 C24 C25 C28 -179.3(3) .
C24 C25 C26 C27 0.9(5) .
C28 C25 C26 C27 176.4(3) .
C25 C26 C27 C22 1.2(5) .
C23 C22 C27 C26 -0.5(4) .
C21 C22 C27 C26 177.3(3) .
C26 C25 C28 N3 51.5(4) .
C24 C25 C28 N3 -132.8(3) .
N3 C30 C31 N4 -1.4(4) .
N2 C20 N1 C18 -2.0(3) .
N2 C20 N1 Zn1 175.22(18) .
C19 C18 N1 C20 1.5(3) .
C19 C18 N1 Zn1 -175.52(19) .
N1 C20 N2 C19 1.8(3) .
N1 C20 N2 C21 -179.1(2) .
C18 C19 N2 C20 -0.8(3) .
C18 C19 N2 C21 -179.9(2) .
C22 C21 N2 C20 -92.6(3) .
C22 C21 N2 C19 86.3(3) .
N4 C29 N3 C30 -1.1(4) .
N4 C29 N3 C28 -179.2(3) .
C31 C30 N3 C29 1.6(3) .
C31 C30 N3 C28 179.6(3) .
C25 C28 N3 C29 -110.5(3) .
C25 C28 N3 C30 71.9(4) .
N3 C29 N4 C31 0.3(3) .
N3 C29 N4 Zn1 179.97(19) 3_575
C30 C31 N4 C29 0.8(4) .
C30 C31 N4 Zn1 -178.9(2) 3_575
O1 C1 O2 Zn1 -1.1(4) 2_645
C2 C1 O2 Zn1 177.7(2) 2_645
O4 C17 O3 Zn1 -3.2(4) .
C14 C17 O3 Zn1 173.4(2) .
C17 O3 Zn1 O2 65.9(2) 2_655
C17 O3 Zn1 N1 -61.3(2) .
C17 O3 Zn1 N4 -179.8(2) 3_575
C20 N1 Zn1 O3 2.1(2) .
C18 N1 Zn1 O3 178.7(2) .
C20 N1 Zn1 O2 -120.1(2) 2_655
C18 N1 Zn1 O2 56.5(3) 2_655
C20 N1 Zn1 N4 106.3(2) 3_575
C18 N1 Zn1 N4 -77.0(3) 3_575
