#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:50:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179542 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/11/4501167.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_4501167
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Zhao, Zhi-Xiang'
'Zhao, Xiao-Jun'
'Yao, Zhao-Quan'
'Li, Shu-Juan'
'Wang, Xiu-Guang'
_publ_section_title
;
 Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl
 Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak
 Interactions
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4933
_journal_paper_doi               10.1021/cg2008182
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C36 H42 N10 O11 Zn'
_chemical_formula_weight         856.17
_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                 133.5140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.8402(13)
_cell_length_b                   11.6244(6)
_cell_length_c                   18.1993(16)
_cell_measurement_reflns_used    6858
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.99
_cell_volume                     3964.4(5)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0135
_diffrn_reflns_av_sigmaI/netI    0.0150
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9915
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1760.8
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3502
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0334
_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)+(0.0638P)²+2.4685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                3195
_reflns_number_total             3507
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2008182_si_002.cif
_cod_data_source_block           81007a
_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 

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      C2/c
_cod_database_code               4501167
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.5000 0.56610(3) 0.7500 0.03418(13) Uani 1 2 d S . .
N1 N 0.58129(9) 0.66806(15) 0.79996(13) 0.0382(4) Uani 1 1 d . . .
N2 N 0.63929(10) 0.80871(15) 0.80064(14) 0.0441(4) Uani 1 1 d . . .
N3 N 0.51658(10) 0.68289(15) 0.42885(13) 0.0417(4) Uani 1 1 d . . .
N4 N 0.51944(9) 0.53480(15) 0.35495(13) 0.0382(4) Uani 1 1 d . . .
O1 O 0.57789(10) 0.87119(15) 0.60588(13) 0.0555(4) Uani 1 1 d . . .
C1 C 0.65183(11) 0.63333(19) 0.85830(15) 0.0392(5) Uani 1 1 d . . .
C2 C 0.68799(12) 0.7217(2) 0.85788(16) 0.0446(5) Uani 1 1 d . . .
C3 C 0.75959(14) 0.7122(3) 0.9083(2) 0.0642(7) Uani 1 1 d . . .
H3 H 0.7836 0.7709 0.9074 0.077 Uiso 1 1 calc R . .
C4 C 0.79249(15) 0.6118(3) 0.9590(2) 0.0762(9) Uani 1 1 d . . .
H4 H 0.8404 0.6024 0.9941 0.091 Uiso 1 1 calc R . .
C5 C 0.75698(15) 0.5228(3) 0.9603(2) 0.0668(7) Uani 1 1 d . . .
H5 H 0.7818 0.4557 0.9957 0.080 Uiso 1 1 calc R . .
C6 C 0.68626(13) 0.5315(2) 0.91057(17) 0.0508(5) Uani 1 1 d . . .
H6 H 0.6627 0.4723 0.9119 0.061 Uiso 1 1 calc R . .
C7 C 0.57722(12) 0.77243(18) 0.76760(16) 0.0417(5) Uani 1 1 d . . .
H7 H 0.5356 0.8160 0.7262 0.050 Uiso 1 1 calc R . .
C8 C 0.65131(16) 0.9215(2) 0.7776(2) 0.0576(7) Uani 1 1 d . . .
H8A H 0.6982 0.9496 0.8370 0.069 Uiso 1 1 calc R . .
H8B H 0.6162 0.9758 0.7615 0.069 Uiso 1 1 calc R . .
C9 C 0.64598(16) 0.9144(2) 0.6898(2) 0.0598(7) Uani 1 1 d . . .
H9A H 0.6524 0.9901 0.6746 0.072 Uiso 1 1 calc R . .
H9B H 0.6827 0.8638 0.7065 0.072 Uiso 1 1 calc R . .
C10 C 0.56190(16) 0.8747(2) 0.51399(19) 0.0587(7) Uani 1 1 d . . .
H10A H 0.6025 0.8477 0.5255 0.070 Uiso 1 1 calc R . .
H10B H 0.5514 0.9530 0.4889 0.070 Uiso 1 1 calc R . .
C11 C 0.49811(14) 0.7987(2) 0.43749(19) 0.0554(6) Uani 1 1 d . . .
H11A H 0.4710 0.7914 0.4562 0.066 Uiso 1 1 calc R . .
H11B H 0.4676 0.8358 0.3717 0.066 Uiso 1 1 calc R . .
C12 C 0.55837(11) 0.59965(18) 0.50347(15) 0.0388(4) Uani 1 1 d . . .
C13 C 0.55956(11) 0.50668(18) 0.45621(14) 0.0366(4) Uani 1 1 d . . .
C14 C 0.59555(13) 0.4062(2) 0.50889(17) 0.0454(5) Uani 1 1 d . . .
H14 H 0.5961 0.3438 0.4775 0.055 Uiso 1 1 calc R . .
C15 C 0.63055(14) 0.4023(2) 0.60973(18) 0.0528(6) Uani 1 1 d . . .
H15 H 0.6555 0.3363 0.6473 0.063 Uiso 1 1 calc R . .
C16 C 0.62909(13) 0.4961(2) 0.65613(17) 0.0529(6) Uani 1 1 d . . .
H16 H 0.6533 0.4907 0.7243 0.064 Uiso 1 1 calc R . .
C17 C 0.59315(13) 0.5962(2) 0.60490(17) 0.0483(5) Uani 1 1 d . . .
H17 H 0.5922 0.6580 0.6364 0.058 Uiso 1 1 calc R . .
C18 C 0.49528(12) 0.63948(18) 0.34354(16) 0.0418(5) Uani 1 1 d . . .
H18 H 0.4663 0.6792 0.2824 0.050 Uiso 1 1 calc R . .
N5 N 0.5062(8) 0.0367(4) 0.7595(14) 0.070(2) Uani 0.50 1 d PD . .
O2 O 0.5193(12) 0.1402(4) 0.7748(17) 0.167(8) Uani 0.50 1 d PD . .
O3 O 0.5379(7) -0.0296(11) 0.8330(13) 0.075(2) Uani 0.50 1 d PD . .
O4 O 0.4620(10) -0.0016(13) 0.6722(14) 0.110(5) Uani 0.50 1 d PD . .
N6 N 0.7217(8) 0.1939(12) 0.8290(12) 0.077(3) Uani 0.167(4) 1 d PDU A 1
O5 O 0.6649(8) 0.2234(18) 0.8020(13) 0.080(3) Uani 0.167(4) 1 d PDU A 1
O6 O 0.7759(9) 0.181(2) 0.9195(11) 0.127(3) Uani 0.167(4) 1 d PDU A 1
O7 O 0.7242(13) 0.177(2) 0.7644(15) 0.154(5) Uani 0.167(4) 1 d PDU A 1
N6' N 0.7248(6) 0.2074(7) 0.8489(7) 0.077(3) Uani 0.333(4) 1 d PDU A 2
O5' O 0.6623(5) 0.1945(13) 0.7710(7) 0.080(3) Uani 0.333(4) 1 d PDU A 2
O6' O 0.7430(5) 0.2074(10) 0.9309(6) 0.127(3) Uani 0.333(4) 1 d PDU A 2
O7' O 0.7694(7) 0.2203(15) 0.8437(11) 0.154(5) Uani 0.333(4) 1 d PDU A 2
O8 O 0.6305(6) 0.2439(10) 0.8850(5) 0.129(3) Uani 0.65 1 d P B 1
O9 O 0.6427(10) 0.2455(17) 0.9314(12) 0.129(5) Uani 0.35 1 d P C 2
O10 O 0.7667(10) 0.2755(16) 0.8632(15) 0.102(6) Uani 0.18 1 d PU D 3
O11 O 0.6846(9) 0.1876(16) 0.7787(12) 0.062(4) Uani 0.18 1 d PU E 4
O12 O 0.7366(11) 0.209(2) 0.8389(17) 0.076(7) Uani 0.15 1 d PU F 5
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
N4 Zn1 N4 107.71(10) 6_566 5_666
N4 Zn1 N1 106.11(7) 6_566 2_656
N4 Zn1 N1 114.87(7) 5_666 2_656
N4 Zn1 N1 114.86(7) 6_566 .
N4 Zn1 N1 106.10(7) 5_666 .
N1 Zn1 N1 107.46(10) 2_656 .
C7 N1 C1 105.44(18) . .
C7 N1 Zn1 127.18(15) . .
C1 N1 Zn1 125.89(14) . .
C7 N2 C2 107.35(18) . .
C7 N2 C8 125.2(2) . .
C2 N2 C8 127.5(2) . .
C18 N3 C12 107.07(17) . .
C18 N3 C11 124.32(18) . .
C12 N3 C11 128.60(18) . .
C18 N4 C13 105.38(16) . .
C18 N4 Zn1 127.92(14) . 5_666
C13 N4 Zn1 126.65(14) . 5_666
C9 O1 C10 113.63(19) . .
C6 C1 C2 121.1(2) . .
C6 C1 N1 130.7(2) . .
C2 C1 N1 108.19(19) . .
N2 C2 C1 106.24(19) . .
N2 C2 C3 131.8(2) . .
C1 C2 C3 122.0(2) . .
C4 C3 C2 116.2(3) . .
C4 C3 H3 121.9 . .
C2 C3 H3 121.9 . .
C3 C4 C5 122.4(3) . .
C3 C4 H4 118.8 . .
C5 C4 H4 118.8 . .
C6 C5 C4 121.7(3) . .
C6 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
C5 C6 C1 116.6(3) . .
C5 C6 H6 121.7 . .
C1 C6 H6 121.7 . .
N1 C7 N2 112.8(2) . .
N1 C7 H7 123.6 . .
N2 C7 H7 123.6 . .
N2 C8 C9 111.7(2) . .
N2 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
N2 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 107.9 . .
O1 C9 C8 107.7(2) . .
O1 C9 H9A 110.2 . .
C8 C9 H9A 110.2 . .
O1 C9 H9B 110.2 . .
C8 C9 H9B 110.2 . .
H9A C9 H9B 108.5 . .
O1 C10 C11 108.5(2) . .
O1 C10 H10A 110.0 . .
C11 C10 H10A 110.0 . .
O1 C10 H10B 110.0 . .
C11 C10 H10B 110.0 . .
H10A C10 H10B 108.4 . .
N3 C11 C10 113.9(2) . .
N3 C11 H11A 108.8 . .
C10 C11 H11A 108.8 . .
N3 C11 H11B 108.8 . .
C10 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
N3 C12 C17 132.5(2) . .
N3 C12 C13 105.63(17) . .
C17 C12 C13 121.8(2) . .
C14 C13 C12 121.04(18) . .
C14 C13 N4 130.22(19) . .
C12 C13 N4 108.73(18) . .
C15 C14 C13 117.5(2) . .
C15 C14 H14 121.3 . .
C13 C14 H14 121.3 . .
C14 C15 C16 120.9(2) . .
C14 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C17 C16 C15 122.5(2) . .
C17 C16 H16 118.8 . .
C15 C16 H16 118.8 . .
C16 C17 C12 116.2(2) . .
C16 C17 H17 121.9 . .
C12 C17 H17 121.9 . .
N4 C18 N3 113.18(18) . .
N4 C18 H18 123.4 . .
N3 C18 H18 123.4 . .
N5 N5 O4 147(5) 2_656 2_656
N5 N5 O2 101.2(11) 2_656 .
O4 N5 O2 106.8(19) 2_656 .
N5 N5 O4 26(4) 2_656 .
O4 N5 O4 132.4(19) 2_656 .
O2 N5 O4 120.7(9) . .
N5 N5 O3 136(4) 2_656 .
O4 N5 O3 12.5(17) 2_656 .
O2 N5 O3 119.3(9) . .
O4 N5 O3 120.0(5) . .
N5 N5 O2 67.4(15) 2_656 2_656
O4 N5 O2 135(3) 2_656 2_656
O2 N5 O2 34.5(19) . 2_656
O4 N5 O2 90.1(19) . 2_656
O3 N5 O2 146(2) . 2_656
N5 N5 O3 37(3) 2_656 2_656
O4 N5 O3 121.4(7) 2_656 2_656
O2 N5 O3 131.3(16) . 2_656
O4 N5 O3 11.6(14) . 2_656
O3 N5 O3 109.2(14) . 2_656
O2 N5 O3 102(2) 2_656 2_656
O2 O2 N5 78.3(9) 2_656 .
O2 O2 N5 67.2(14) 2_656 2_656
N5 O2 N5 11.4(15) . 2_656
O2 O2 O4 106.6(16) 2_656 2_656
N5 O2 O4 32.4(13) . 2_656
N5 O2 O4 43.4(8) 2_656 2_656
O4 O3 N5 40(6) 2_656 .
O4 O3 N5 47(5) 2_656 2_656
N5 O3 N5 7.3(9) . 2_656
O3 O4 N5 128(7) 2_656 2_656
O3 O4 N5 122(6) 2_656 .
N5 O4 N5 6.6(12) 2_656 .
O3 O4 O2 168(7) 2_656 2_656
N5 O4 O2 40.8(10) 2_656 2_656
N5 O4 O2 46.5(12) . 2_656
O5 N6 O6 120.9(10) . .
O5 N6 O7 119.5(10) . .
O6 N6 O7 119.6(10) . .
O6' N6' O5' 120.6(9) . .
O6' N6' O7' 120.2(9) . .
O5' N6' O7' 119.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N4 1.9888(17) 6_566
Zn1 N4 1.9888(17) 5_666
Zn1 N1 2.0032(17) 2_656
Zn1 N1 2.0033(17) .
N1 C7 1.321(3) .
N1 C1 1.396(3) .
N2 C7 1.336(3) .
N2 C2 1.373(3) .
N2 C8 1.472(3) .
N3 C18 1.338(3) .
N3 C12 1.388(3) .
N3 C11 1.473(3) .
N4 C18 1.317(3) .
N4 C13 1.395(2) .
N4 Zn1 1.9888(17) 5_666
O1 C9 1.408(3) .
O1 C10 1.420(3) .
C1 C6 1.390(3) .
C1 C2 1.393(3) .
C2 C3 1.393(3) .
C3 C4 1.362(5) .
C3 H3 0.9300 .
C4 C5 1.394(5) .
C4 H4 0.9300 .
C5 C6 1.375(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.509(3) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.508(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C17 1.390(3) .
C12 C13 1.395(3) .
C13 C14 1.386(3) .
C14 C15 1.379(3) .
C14 H14 0.9300 .
C15 C16 1.395(4) .
C15 H15 0.9300 .
C16 C17 1.376(3) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 H18 0.9300 .
N5 N5 0.26(4) 2_656
N5 O4 1.01(3) 2_656
N5 O2 1.229(6) .
N5 O4 1.236(9) .
N5 O3 1.244(8) .
N5 O2 1.305(14) 2_656
N5 O3 1.44(3) 2_656
O2 O2 0.76(4) 2_656
O2 N5 1.305(14) 2_656
O2 O4 1.80(2) 2_656
O3 O4 0.34(3) 2_656
O3 N5 1.44(3) 2_656
O4 O3 0.34(3) 2_656
O4 N5 1.01(3) 2_656
O4 O2 1.80(2) 2_656
N6 O5 1.231(9) .
N6 O6 1.233(9) .
N6 O7 1.237(9) .
N6' O6' 1.218(8) .
N6' O5' 1.220(9) .
N6' O7' 1.229(8) .
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
N4 Zn1 N1 C7 -146.93(16) 6_566 .
N4 Zn1 N1 C7 94.20(18) 5_666 .
N1 Zn1 N1 C7 -29.14(15) 2_656 .
N4 Zn1 N1 C1 49.05(17) 6_566 .
N4 Zn1 N1 C1 -69.81(17) 5_666 .
N1 Zn1 N1 C1 166.85(18) 2_656 .
C7 N1 C1 C6 -179.8(2) . .
Zn1 N1 C1 C6 -13.0(3) . .
C7 N1 C1 C2 -0.2(2) . .
Zn1 N1 C1 C2 166.66(14) . .
C7 N2 C2 C1 -1.0(2) . .
C8 N2 C2 C1 179.6(2) . .
C7 N2 C2 C3 178.5(2) . .
C8 N2 C2 C3 -0.9(4) . .
C6 C1 C2 N2 -179.62(19) . .
N1 C1 C2 N2 0.7(2) . .
C6 C1 C2 C3 0.8(3) . .
N1 C1 C2 C3 -178.8(2) . .
N2 C2 C3 C4 179.8(2) . .
C1 C2 C3 C4 -0.7(4) . .
C2 C3 C4 C5 0.5(4) . .
C3 C4 C5 C6 -0.5(5) . .
C4 C5 C6 C1 0.5(4) . .
C2 C1 C6 C5 -0.7(3) . .
N1 C1 C6 C5 178.9(2) . .
C1 N1 C7 N2 -0.5(2) . .
Zn1 N1 C7 N2 -167.09(14) . .
C2 N2 C7 N1 0.9(2) . .
C8 N2 C7 N1 -179.61(19) . .
C7 N2 C8 C9 -96.6(3) . .
C2 N2 C8 C9 82.7(3) . .
C10 O1 C9 C8 171.9(2) . .
N2 C8 C9 O1 57.8(3) . .
C9 O1 C10 C11 164.9(2) . .
C18 N3 C11 C10 -120.1(2) . .
C12 N3 C11 C10 59.0(3) . .
O1 C10 C11 N3 -97.8(2) . .
C18 N3 C12 C17 -178.6(3) . .
C11 N3 C12 C17 2.2(4) . .
C18 N3 C12 C13 -0.2(2) . .
C11 N3 C12 C13 -179.4(2) . .
N3 C12 C13 C14 -178.4(2) . .
C17 C12 C13 C14 0.2(3) . .
N3 C12 C13 N4 0.5(2) . .
C17 C12 C13 N4 179.1(2) . .
C18 N4 C13 C14 178.1(2) . .
Zn1 N4 C13 C14 0.6(3) 5_666 .
C18 N4 C13 C12 -0.6(2) . .
Zn1 N4 C13 C12 -178.12(14) 5_666 .
C12 C13 C14 C15 -0.6(3) . .
N4 C13 C14 C15 -179.2(2) . .
C13 C14 C15 C16 0.4(4) . .
C14 C15 C16 C17 0.1(4) . .
C15 C16 C17 C12 -0.5(4) . .
N3 C12 C17 C16 178.5(2) . .
C13 C12 C17 C16 0.3(3) . .
C13 N4 C18 N3 0.5(3) . .
Zn1 N4 C18 N3 177.98(14) 5_666 .
C12 N3 C18 N4 -0.2(3) . .
C11 N3 C18 N4 179.0(2) . .
N5 N5 O2 O2 12(6) 2_656 2_656
O4 N5 O2 O2 -151(5) 2_656 2_656
O4 N5 O2 O2 31(4) . 2_656
O3 N5 O2 O2 -149(4) . 2_656
O3 N5 O2 O2 36(5) 2_656 2_656
O4 N5 O2 N5 -163(10) 2_656 2_656
O4 N5 O2 N5 19(8) . 2_656
O3 N5 O2 N5 -161(8) . 2_656
O2 N5 O2 N5 -12(6) 2_656 2_656
O3 N5 O2 N5 24(6) 2_656 2_656
N5 N5 O2 O4 163(10) 2_656 2_656
O4 N5 O2 O4 -178(2) . 2_656
O3 N5 O2 O4 2(2) . 2_656
O2 N5 O2 O4 151(5) 2_656 2_656
O3 N5 O2 O4 -173(4) 2_656 2_656
N5 N5 O3 O4 -160(18) 2_656 2_656
O2 N5 O3 O4 -7(9) . 2_656
O4 N5 O3 O4 173(9) . 2_656
O2 N5 O3 O4 -38(10) 2_656 2_656
O3 N5 O3 O4 169(11) 2_656 2_656
O4 N5 O3 N5 160(18) 2_656 2_656
O2 N5 O3 N5 153(10) . 2_656
O4 N5 O3 N5 -27(10) . 2_656
O2 N5 O3 N5 122(12) 2_656 2_656
O3 N5 O3 N5 -31(9) 2_656 2_656
N5 N5 O4 O3 -156(21) 2_656 2_656
O4 N5 O4 O3 -20(6) 2_656 2_656
O2 N5 O4 O3 158(9) . 2_656
O3 N5 O4 O3 -22(9) . 2_656
O2 N5 O4 O3 175(9) 2_656 2_656
O4 N5 O4 N5 136(17) 2_656 2_656
O2 N5 O4 N5 -46(14) . 2_656
O3 N5 O4 N5 134(14) . 2_656
O2 N5 O4 N5 -29(13) 2_656 2_656
O3 N5 O4 N5 156(21) 2_656 2_656
N5 N5 O4 O2 29(13) 2_656 2_656
O4 N5 O4 O2 165(4) 2_656 2_656
O2 N5 O4 O2 -17(2) . 2_656
O3 N5 O4 O2 163(2) . 2_656
O3 N5 O4 O2 -175(9) 2_656 2_656
