#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:29:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180013 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/07/7030777.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_7030777
loop_
_publ_author_name
'Hu, Tong-Liang'
'Zou, Ruo-Qiang'
'Li, Jian-Rong'
'Bu, Xian-He'
_publ_section_title
;
 d(10) Metal complexes assembled from isomeric benzenedicarboxylates and
 3-(2-pyridyl)pyrazole showing 1D chain structures: syntheses, structures
 and luminescent properties.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1302
_journal_page_last               1311
_journal_paper_doi               10.1039/b716398c
_journal_year                    2008
_chemical_formula_sum            'C24 H18 N6 O5 Zn2'
_chemical_formula_weight         599.17
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.330(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.923(3)
_cell_length_b                   19.533(6)
_cell_length_c                   12.189(4)
_cell_measurement_reflns_used    2867
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.087
_cell_measurement_theta_min      2.365
_cell_volume                     2388.0(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART CCD area-detecter'
_diffrn_measurement_method       'φ and ω 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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12051
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.058
_exptl_absorpt_correction_T_max  0.9041
_exptl_absorpt_correction_T_min  0.6958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plane
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0926P)²+4.4995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1629
_refine_ls_wR_factor_ref         0.1714
_reflns_number_gt                3520
_reflns_number_total             4170
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b716398c.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'None' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7030777
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.51034(6) 0.09351(3) 0.02017(5) 0.0238(2) Uani 1 1 d .
Zn2 Zn 0.24642(6) -0.01304(3) 0.13867(5) 0.0263(2) Uani 1 1 d .
C1 C 0.7825(11) 0.1943(6) 0.1339(11) 0.098(3) Uani 1 1 d .
H1 H 0.7842 0.1897 0.0586 0.117 Uiso 1 1 calc R
C2 C 0.8691(12) 0.2390(6) 0.2114(13) 0.109(4) Uani 1 1 d .
H2 H 0.9267 0.2654 0.1896 0.130 Uiso 1 1 calc R
C3 C 0.8679(12) 0.2435(6) 0.3241(13) 0.109(4) Uani 1 1 d .
H3 H 0.9275 0.2724 0.3809 0.131 Uiso 1 1 calc R
C4 C 0.7800(11) 0.2059(6) 0.3520(10) 0.095(3) Uani 1 1 d .
H4 H 0.7768 0.2105 0.4268 0.114 Uiso 1 1 calc R
C5 C 0.6940(9) 0.1602(5) 0.2685(9) 0.072(2) Uani 1 1 d .
C6 C 0.5949(9) 0.1203(5) 0.2904(8) 0.066(2) Uani 1 1 d .
C7 C 0.5789(11) 0.1051(6) 0.3946(9) 0.092(3) Uani 1 1 d .
H7 H 0.6323 0.1190 0.4718 0.111 Uiso 1 1 calc R
C8 C 0.4681(10) 0.0656(6) 0.3594(8) 0.083(3) Uani 1 1 d .
H8 H 0.4320 0.0474 0.4105 0.099 Uiso 1 1 calc R
C9 C 0.2660(9) 0.2061(5) -0.0362(9) 0.073(2) Uani 1 1 d .
H9 H 0.2476 0.1822 0.0216 0.087 Uiso 1 1 calc R
C10 C 0.2007(11) 0.2681(6) -0.0780(10) 0.089(3) Uani 1 1 d .
H10 H 0.1402 0.2854 -0.0487 0.107 Uiso 1 1 calc R
C11 C 0.2278(12) 0.3025(5) -0.1623(11) 0.095(3) Uani 1 1 d .
H11 H 0.1870 0.3443 -0.1911 0.113 Uiso 1 1 calc R
C12 C 0.3149(10) 0.2752(5) -0.2043(9) 0.082(3) Uani 1 1 d .
H12 H 0.3317 0.2981 -0.2637 0.099 Uiso 1 1 calc R
C13 C 0.3797(9) 0.2135(4) -0.1602(8) 0.063(2) Uani 1 1 d .
C14 C 0.4748(8) 0.1818(4) -0.2001(7) 0.060(2) Uani 1 1 d .
C15 C 0.5073(9) 0.1940(5) -0.2951(8) 0.076(3) Uani 1 1 d .
H15 H 0.4718 0.2272 -0.3540 0.091 Uiso 1 1 calc R
C16 C 0.3953(10) -0.1464(5) 0.2849(8) 0.076(3) Uani 1 1 d .
H16 H 0.3528 -0.1419 0.3372 0.091 Uiso 1 1 calc R
C17 C 0.0657(10) -0.0382(5) 0.2405(8) 0.071(2) Uani 1 1 d .
C18 C -0.0374(9) -0.0472(4) 0.2919(7) 0.061(2) Uani 1 1 d .
C19 C 0.0064(10) -0.0736(5) 0.4087(8) 0.078(3) Uani 1 1 d .
H19 H 0.0957 -0.0854 0.4480 0.093 Uiso 1 1 calc R
C20 C -0.0755(11) -0.0823(5) 0.4656(9) 0.077(3) Uani 1 1 d .
H20 H -0.0429 -0.0998 0.5429 0.093 Uiso 1 1 calc R
C21 C 0.2092(10) 0.0652(5) -0.4081(8) 0.073(2) Uani 1 1 d .
H21 H 0.2665 0.0699 -0.4473 0.088 Uiso 1 1 calc R
C22 C 0.2569(9) 0.0408(5) -0.2914(8) 0.068(2) Uani 1 1 d .
H22 H 0.3473 0.0311 -0.2519 0.081 Uiso 1 1 calc R
C23 C 0.1723(8) 0.0306(4) -0.2329(7) 0.0540(19) Uani 1 1 d .
C24 C 0.2277(9) 0.0040(4) -0.1097(8) 0.0538(19) Uani 1 1 d .
N1 N 0.6940(8) 0.1560(4) 0.1593(7) 0.078(2) Uani 1 1 d .
N2 N 0.4960(8) 0.0914(3) 0.1998(6) 0.0619(18) Uani 1 1 d .
N3 N 0.4178(7) 0.0562(4) 0.2410(6) 0.0655(18) Uani 1 1 d .
N4 N 0.3527(7) 0.1800(3) -0.0752(7) 0.0643(18) Uani 1 1 d .
N5 N 0.5485(7) 0.1299(4) -0.1372(6) 0.0631(18) Uani 1 1 d .
N6 N 0.3722(8) -0.1085(4) 0.1902(6) 0.0668(19) Uani 1 1 d .
O1W O 0.1001(8) 0.0887(4) 0.0765(7) 0.096(2) Uani 1 1 d .
O1 O 0.0628(7) -0.0783(4) 0.1570(6) 0.091(2) Uani 1 1 d .
O2 O 0.1542(8) 0.0055(5) 0.2856(8) 0.106(3) Uani 1 1 d .
O3 O 0.3517(6) 0.0060(3) -0.0487(6) 0.0632(15) Uani 1 1 d .
O4 O 0.1525(6) -0.0216(3) -0.0665(5) 0.0741(17) 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'
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
N5 Zn1 N2 161.3(3) . .
N5 Zn1 O3 106.7(2) . .
N2 Zn1 O3 90.5(2) . .
N5 Zn1 N4 72.4(2) . .
N2 Zn1 N4 100.0(3) . .
O3 Zn1 N4 93.1(2) . .
N5 Zn1 N1 93.3(3) . .
N2 Zn1 N1 71.5(3) . .
O3 Zn1 N1 157.4(2) . .
N4 Zn1 N1 103.1(3) . .
N5 Zn1 O3 93.6(2) . 3_655
N2 Zn1 O3 97.2(2) . 3_655
O3 Zn1 O3 78.1(2) . 3_655
N4 Zn1 O3 160.7(2) . 3_655
N1 Zn1 O3 90.5(2) . 3_655
N3 Zn2 N6 93.5(3) . .
N3 Zn2 O4 124.2(2) . .
N6 Zn2 O4 101.7(2) . .
N3 Zn2 O2 89.9(2) . .
N6 Zn2 O2 107.8(3) . .
O4 Zn2 O2 133.0(3) . .
N3 Zn2 O1 142.4(2) . .
N6 Zn2 O1 88.6(3) . .
O4 Zn2 O1 91.9(2) . .
O2 Zn2 O1 54.1(2) . .
N3 Zn2 O1W 89.0(3) . .
N6 Zn2 O1W 177.5(3) . .
O4 Zn2 O1W 76.7(2) . .
O2 Zn2 O1W 72.3(3) . .
O1 Zn2 O1W 89.6(2) . .
N1 C1 C2 124.1(12) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C1 C2 C3 117.0(12) . .
C1 C2 H2 121.5 . .
C3 C2 H2 121.5 . .
C4 C3 C2 120.1(12) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.1(11) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 C4 120.0(10) . .
N1 C5 C6 116.6(8) . .
C4 C5 C6 123.2(9) . .
N2 C6 C7 108.5(9) . .
N2 C6 C5 119.9(8) . .
C7 C6 C5 131.6(9) . .
C8 C7 C6 104.7(9) . .
C8 C7 H7 127.7 . .
C6 C7 H7 127.7 . .
N3 C8 C7 110.7(9) . .
N3 C8 H8 124.6 . .
C7 C8 H8 124.6 . .
N4 C9 C10 122.6(9) . .
N4 C9 H9 118.7 . .
C10 C9 H9 118.7 . .
C11 C10 C9 118.3(10) . .
C11 C10 H10 120.9 . .
C9 C10 H10 120.9 . .
C12 C11 C10 119.2(10) . .
C12 C11 H11 120.4 . .
C10 C11 H11 120.4 . .
C11 C12 C13 121.4(10) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
N4 C13 C12 118.8(8) . .
N4 C13 C14 117.0(7) . .
C12 C13 C14 124.3(8) . .
N5 C14 C15 108.7(8) . .
N5 C14 C13 118.8(7) . .
C15 C14 C13 132.4(8) . .
C14 C15 C16 104.9(8) . 3_655
C14 C15 H15 127.6 . .
C16 C15 H15 127.6 3_655 .
N6 C16 C15 109.5(8) . 3_655
N6 C16 H16 125.3 . .
C15 C16 H16 125.3 3_655 .
O2 C17 O1 123.0(9) . .
O2 C17 C18 118.4(9) . .
O1 C17 C18 118.4(9) . .
C23 C18 C19 118.1(8) 3 .
C23 C18 C17 124.8(7) 3 .
C19 C18 C17 117.0(8) . .
C20 C19 C18 122.7(9) . .
C20 C19 H19 118.6 . .
C18 C19 H19 118.6 . .
C19 C20 C21 119.4(9) . 3
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 3 .
C20 C21 C22 119.5(8) 3 .
C20 C21 H21 120.2 3 .
C22 C21 H21 120.2 . .
C23 C22 C21 121.2(9) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C22 C23 C18 118.9(8) . 3
C22 C23 C24 119.0(8) . .
C18 C23 C24 122.0(7) 3 .
O4 C24 O3 119.8(8) . .
O4 C24 C23 120.0(8) . .
O3 C24 C23 120.2(7) . .
C5 N1 C1 118.5(9) . .
C5 N1 Zn1 114.1(6) . .
C1 N1 Zn1 126.6(7) . .
C6 N2 N3 109.6(7) . .
C6 N2 Zn1 117.0(6) . .
N3 N2 Zn1 132.3(5) . .
C8 N3 N2 106.5(7) . .
C8 N3 Zn2 125.3(6) . .
N2 N3 Zn2 128.0(5) . .
C9 N4 C13 119.7(8) . .
C9 N4 Zn1 125.9(6) . .
C13 N4 Zn1 112.6(5) . .
C14 N5 N6 108.6(7) . 3_655
C14 N5 Zn1 117.4(6) . .
N6 N5 Zn1 133.9(5) 3_655 .
C16 N6 N5 108.3(7) . 3_655
C16 N6 Zn2 126.7(6) . .
N5 N6 Zn2 124.3(5) 3_655 .
C17 O1 Zn2 89.5(6) . .
C17 O2 Zn2 92.8(6) . .
C24 O3 Zn1 134.7(5) . .
C24 O3 Zn1 121.8(5) . 3_655
Zn1 O3 Zn1 101.9(2) . 3_655
C24 O4 Zn2 110.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N5 2.234(7) .
Zn1 N2 2.256(7) .
Zn1 O3 2.340(6) .
Zn1 N4 2.364(7) .
Zn1 N1 2.387(8) .
Zn1 O3 2.399(6) 3_655
Zn2 N3 2.245(7) .
Zn2 N6 2.253(7) .
Zn2 O4 2.302(6) .
Zn2 O2 2.405(8) .
Zn2 O1 2.460(8) .
Zn2 O1W 2.473(8) .
C1 N1 1.351(12) .
C1 C2 1.358(15) .
C1 H1 0.9300 .
C2 C3 1.382(16) .
C2 H2 0.9300 .
C3 C4 1.355(15) .
C3 H3 0.9300 .
C4 C5 1.400(13) .
C4 H4 0.9300 .
C5 N1 1.334(11) .
C5 C6 1.443(12) .
C6 N2 1.327(11) .
C6 C7 1.380(13) .
C7 C8 1.354(14) .
C7 H7 0.9300 .
C8 N3 1.337(11) .
C8 H8 0.9300 .
C9 N4 1.318(10) .
C9 C10 1.396(13) .
C9 H9 0.9300 .
C10 C11 1.355(14) .
C10 H10 0.9300 .
C11 C12 1.355(13) .
C11 H11 0.9300 .
C12 C13 1.393(12) .
C12 H12 0.9300 .
C13 N4 1.353(10) .
C13 C14 1.449(11) .
C14 N5 1.332(10) .
C14 C15 1.360(11) .
C15 C16 1.381(12) 3_655
C15 H15 0.9300 .
C16 N6 1.308(11) .
C16 C15 1.381(12) 3_655
C16 H16 0.9300 .
C17 O2 1.243(12) .
C17 O1 1.274(11) .
C17 C18 1.500(12) .
C18 C23 1.398(11) 3
C18 C19 1.408(11) .
C19 C20 1.342(12) .
C19 H19 0.9300 .
C20 C21 1.388(13) 3
C20 H20 0.9300 .
C21 C20 1.388(13) 3
C21 C22 1.390(12) .
C21 H21 0.9300 .
C22 C23 1.388(11) .
C22 H22 0.9300 .
C23 C18 1.398(11) 3
C23 C24 1.473(11) .
C24 O4 1.244(9) .
C24 O3 1.261(10) .
N2 N3 1.341(9) .
N5 N6 1.337(9) 3_655
N6 N5 1.337(9) 3_655
O3 Zn1 2.399(6) 3_655
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
N1 C1 C2 C3 2(2) . .
C1 C2 C3 C4 -2(2) . .
C2 C3 C4 C5 2.8(19) . .
C3 C4 C5 N1 -3.3(16) . .
C3 C4 C5 C6 -177.8(10) . .
N1 C5 C6 N2 -11.5(13) . .
C4 C5 C6 N2 163.2(9) . .
N1 C5 C6 C7 169.4(11) . .
C4 C5 C6 C7 -15.9(17) . .
N2 C6 C7 C8 0.9(12) . .
C5 C6 C7 C8 -179.9(10) . .
C6 C7 C8 N3 0.2(13) . .
N4 C9 C10 C11 0.2(16) . .
C9 C10 C11 C12 1.1(17) . .
C10 C11 C12 C13 -1.7(18) . .
C11 C12 C13 N4 1.2(15) . .
C11 C12 C13 C14 -179.4(10) . .
N4 C13 C14 N5 -12.8(12) . .
C12 C13 C14 N5 167.8(9) . .
N4 C13 C14 C15 166.9(9) . .
C12 C13 C14 C15 -12.5(16) . .
N5 C14 C15 C16 0.0(11) . 3_655
C13 C14 C15 C16 -179.7(10) . 3_655
O2 C17 C18 C23 112.2(11) . 3
O1 C17 C18 C23 -71.5(12) . 3
O2 C17 C18 C19 -67.0(12) . .
O1 C17 C18 C19 109.2(10) . .
C23 C18 C19 C20 -1.1(14) 3 .
C17 C18 C19 C20 178.3(9) . .
C18 C19 C20 C21 0.2(16) . 3
C20 C21 C22 C23 2.6(14) 3 .
C21 C22 C23 C18 -1.7(13) . 3
C21 C22 C23 C24 179.4(8) . .
C22 C23 C24 O4 -161.8(8) . .
C18 C23 C24 O4 19.4(12) 3 .
C22 C23 C24 O3 16.9(12) . .
C18 C23 C24 O3 -161.9(8) 3 .
C4 C5 N1 C1 3.0(15) . .
C6 C5 N1 C1 177.9(9) . .
C4 C5 N1 Zn1 -167.6(7) . .
C6 C5 N1 Zn1 7.3(11) . .
C2 C1 N1 C5 -2.5(18) . .
C2 C1 N1 Zn1 166.9(10) . .
N5 Zn1 N1 C5 167.0(7) . .
N2 Zn1 N1 C5 -2.0(7) . .
O3 Zn1 N1 C5 -40.6(11) . .
N4 Zn1 N1 C5 94.3(7) . .
O3 Zn1 N1 C5 -99.4(7) 3_655 .
N5 Zn1 N1 C1 -2.8(9) . .
N2 Zn1 N1 C1 -171.8(10) . .
O3 Zn1 N1 C1 149.7(8) . .
N4 Zn1 N1 C1 -75.5(9) . .
O3 Zn1 N1 C1 90.8(9) 3_655 .
C7 C6 N2 N3 -1.7(11) . .
C5 C6 N2 N3 179.0(8) . .
C7 C6 N2 Zn1 -171.2(7) . .
C5 C6 N2 Zn1 9.5(11) . .
N5 Zn1 N2 C6 -40.5(12) . .
O3 Zn1 N2 C6 162.2(6) . .
N4 Zn1 N2 C6 -104.6(6) . .
N1 Zn1 N2 C6 -3.9(6) . .
O3 Zn1 N2 C6 84.1(6) 3_655 .
N5 Zn1 N2 N3 153.0(7) . .
O3 Zn1 N2 N3 -4.3(7) . .
N4 Zn1 N2 N3 88.9(7) . .
N1 Zn1 N2 N3 -170.5(8) . .
O3 Zn1 N2 N3 -82.4(7) 3_655 .
C7 C8 N3 N2 -1.2(12) . .
C7 C8 N3 Zn2 174.0(7) . .
C6 N2 N3 C8 1.8(10) . .
Zn1 N2 N3 C8 169.1(7) . .
C6 N2 N3 Zn2 -173.2(6) . .
Zn1 N2 N3 Zn2 -6.0(11) . .
N6 Zn2 N3 C8 -78.1(8) . .
O4 Zn2 N3 C8 175.1(7) . .
O2 Zn2 N3 C8 29.7(8) . .
O1 Zn2 N3 C8 14.1(10) . .
O1W Zn2 N3 C8 102.0(8) . .
N6 Zn2 N3 N2 96.0(7) . .
O4 Zn2 N3 N2 -10.7(8) . .
O2 Zn2 N3 N2 -156.1(7) . .
O1 Zn2 N3 N2 -171.7(6) . .
O1W Zn2 N3 N2 -83.8(7) . .
C10 C9 N4 C13 -0.8(14) . .
C10 C9 N4 Zn1 162.7(8) . .
C12 C13 N4 C9 0.1(13) . .
C14 C13 N4 C9 -179.3(8) . .
C12 C13 N4 Zn1 -165.4(7) . .
C14 C13 N4 Zn1 15.1(10) . .
N5 Zn1 N4 C9 -174.5(8) . .
N2 Zn1 N4 C9 -12.1(8) . .
O3 Zn1 N4 C9 78.9(7) . .
N1 Zn1 N4 C9 -85.3(7) . .
O3 Zn1 N4 C9 140.7(8) 3_655 .
N5 Zn1 N4 C13 -10.0(6) . .
N2 Zn1 N4 C13 152.3(6) . .
O3 Zn1 N4 C13 -116.6(6) . .
N1 Zn1 N4 C13 79.2(6) . .
O3 Zn1 N4 C13 -54.8(10) 3_655 .
C15 C14 N5 N6 -0.1(10) . 3_655
C13 C14 N5 N6 179.7(7) . 3_655
C15 C14 N5 Zn1 -176.8(6) . .
C13 C14 N5 Zn1 3.0(10) . .
N2 Zn1 N5 C14 -64.7(11) . .
O3 Zn1 N5 C14 91.6(6) . .
N4 Zn1 N5 C14 3.7(6) . .
N1 Zn1 N5 C14 -99.1(7) . .
O3 Zn1 N5 C14 170.2(6) 3_655 .
N2 Zn1 N5 N6 119.7(9) . 3_655
O3 Zn1 N5 N6 -84.0(8) . 3_655
N4 Zn1 N5 N6 -172.0(8) . 3_655
N1 Zn1 N5 N6 85.2(8) . 3_655
O3 Zn1 N5 N6 -5.4(8) 3_655 3_655
C15 C16 N6 N5 0.1(11) 3_655 3_655
C15 C16 N6 Zn2 -170.8(6) 3_655 .
N3 Zn2 N6 C16 89.0(8) . .
O4 Zn2 N6 C16 -145.0(8) . .
O2 Zn2 N6 C16 -2.0(9) . .
O1 Zn2 N6 C16 -53.4(8) . .
O1W Zn2 N6 C16 -95(6) . .
N3 Zn2 N6 N5 -80.6(7) . 3_655
O4 Zn2 N6 N5 45.5(7) . 3_655
O2 Zn2 N6 N5 -171.6(6) . 3_655
O1 Zn2 N6 N5 137.1(7) . 3_655
O1W Zn2 N6 N5 96(6) . 3_655
O2 C17 O1 Zn2 -8.3(10) . .
C18 C17 O1 Zn2 175.7(7) . .
N3 Zn2 O1 C17 23.9(7) . .
N6 Zn2 O1 C17 117.8(6) . .
O4 Zn2 O1 C17 -140.5(5) . .
O2 Zn2 O1 C17 4.4(5) . .
O1W Zn2 O1 C17 -63.9(6) . .
O1 C17 O2 Zn2 8.5(10) . .
C18 C17 O2 Zn2 -175.5(7) . .
N3 Zn2 O2 C17 -172.8(7) . .
N6 Zn2 O2 C17 -79.1(7) . .
O4 Zn2 O2 C17 47.1(8) . .
O1 Zn2 O2 C17 -4.5(6) . .
O1W Zn2 O2 C17 98.2(7) . .
O4 C24 O3 Zn1 -120.3(8) . .
C23 C24 O3 Zn1 61.0(11) . .
O4 C24 O3 Zn1 76.9(9) . 3_655
C23 C24 O3 Zn1 -101.8(7) . 3_655
N5 Zn1 O3 C24 -74.9(8) . .
N2 Zn1 O3 C24 97.7(8) . .
N4 Zn1 O3 C24 -2.3(8) . .
N1 Zn1 O3 C24 133.9(8) . .
O3 Zn1 O3 C24 -165.1(9) 3_655 .
N5 Zn1 O3 Zn1 90.2(3) . 3_655
N2 Zn1 O3 Zn1 -97.3(3) . 3_655
N4 Zn1 O3 Zn1 162.7(3) . 3_655
N1 Zn1 O3 Zn1 -61.0(7) . 3_655
O3 Zn1 O3 Zn1 0.0 3_655 3_655
O3 C24 O4 Zn2 26.6(9) . .
C23 C24 O4 Zn2 -154.7(6) . .
N3 Zn2 O4 C24 15.7(7) . .
N6 Zn2 O4 C24 -86.8(6) . .
O2 Zn2 O4 C24 144.8(6) . .
O1 Zn2 O4 C24 -175.7(6) . .
O1W Zn2 O4 C24 95.2(6) . .
