#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:50:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179542 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/11/4501170.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_4501170
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            'C40 H46 Cu2 N8 O13 S2'
_chemical_formula_weight         1038.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.706(18)
_cell_angle_beta                 91.898(19)
_cell_angle_gamma                112.709(17)
_cell_formula_units_Z            1
_cell_length_a                   10.697(12)
_cell_length_b                   11.057(12)
_cell_length_c                   11.274(12)
_cell_measurement_reflns_used    1602
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      2.33
_cell_volume                     1154(2)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.1122
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5331
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             534.0
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3991
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1513
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1204P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2027
_refine_ls_wR_factor_ref         0.2375
_reflns_number_gt                1910
_reflns_number_total             4080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2008182_si_005.cif
_cod_data_source_block           100118b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        1155(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4501170
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.38936(11) 0.01070(11) 0.16540(9) 0.0676(5) Uani 1 1 d .
S1 S 0.5924(2) 0.2016(2) -0.0008(2) 0.0677(7) Uani 1 1 d .
O1 O 0.2107(8) 0.4324(7) 0.3936(6) 0.089(2) Uani 1 1 d .
O2 O 0.3309(8) 0.3865(7) 0.5953(6) 0.095(2) Uani 1 1 d .
O3 O 0.5228(6) 0.1896(6) 0.1048(5) 0.0743(17) Uani 1 1 d .
O4 O 0.6435(8) 0.3414(7) -0.0023(7) 0.105(2) Uani 1 1 d .
O5 O 0.7035(6) 0.1516(6) -0.0008(6) 0.086(2) Uani 1 1 d .
O6 O 0.5008(6) 0.1009(6) -0.1232(5) 0.0721(17) Uani 1 1 d .
N1 N 0.2415(8) 0.0717(8) 0.1729(7) 0.082(2) Uani 1 1 d U
N2 N 0.1287(11) 0.2018(11) 0.1685(8) 0.096(3) Uani 1 1 d .
N3 N 0.4679(8) 0.1971(7) 0.5549(6) 0.068(2) Uani 1 1 d .
N4 N 0.4620(7) 0.1006(6) 0.3487(6) 0.0605(18) Uani 1 1 d .
C1 C 0.0280(12) 0.0696(14) 0.1574(9) 0.089(3) Uani 1 1 d .
C2 C 0.1017(10) -0.0078(10) 0.1615(8) 0.071(2) Uani 1 1 d U
C3 C 0.0296(11) -0.1446(12) 0.1502(8) 0.085(3) Uani 1 1 d .
H3 H 0.0746 -0.2015 0.1509 0.102 Uiso 1 1 calc R
C4 C -0.1111(11) -0.1955(13) 0.1378(9) 0.097(3) Uani 1 1 d .
H4 H -0.1605 -0.2863 0.1360 0.116 Uiso 1 1 calc R
C5 C -0.1815(14) -0.1174(19) 0.1280(11) 0.115(4) Uani 1 1 d .
H5 H -0.2771 -0.1578 0.1151 0.138 Uiso 1 1 calc R
C6 C -0.1146(15) 0.0162(18) 0.1365(10) 0.114(5) Uani 1 1 d .
H6 H -0.1610 0.0700 0.1289 0.137 Uiso 1 1 calc R
C7 C 0.2541(11) 0.1976(11) 0.1798(9) 0.090(3) Uani 1 1 d .
H7 H 0.3376 0.2732 0.1909 0.108 Uiso 1 1 calc R
C8 C 0.1122(14) 0.3328(13) 0.1796(10) 0.117(4) Uani 1 1 d .
H8A H 0.0333 0.3120 0.1195 0.140 Uiso 1 1 calc R
H8B H 0.1933 0.3983 0.1610 0.140 Uiso 1 1 calc R
C9 C 0.0919(15) 0.3967(13) 0.3136(11) 0.118(4) Uani 1 1 d .
H9A H 0.0752 0.4788 0.3215 0.142 Uiso 1 1 calc R
H9B H 0.0137 0.3299 0.3344 0.142 Uiso 1 1 calc R
C10 C 0.2021(13) 0.4887(10) 0.5218(10) 0.098(4) Uani 1 1 d .
H10A H 0.1235 0.4233 0.5433 0.117 Uiso 1 1 calc R
H10B H 0.1905 0.5746 0.5367 0.117 Uiso 1 1 calc R
C11 C 0.3339(13) 0.5176(10) 0.6032(10) 0.094(3) Uani 1 1 d .
H11A H 0.4137 0.5694 0.5723 0.113 Uiso 1 1 calc R
H11B H 0.3382 0.5720 0.6901 0.113 Uiso 1 1 calc R
C12 C 0.4326(14) 0.4029(11) 0.6870(10) 0.099(3) Uani 1 1 d .
H12A H 0.4183 0.4472 0.7708 0.119 Uiso 1 1 calc R
H12B H 0.5227 0.4606 0.6752 0.119 Uiso 1 1 calc R
C13 C 0.4221(12) 0.2551(11) 0.6720(8) 0.088(3) Uani 1 1 d .
H13A H 0.4786 0.2600 0.7439 0.105 Uiso 1 1 calc R
H13B H 0.3276 0.1941 0.6702 0.105 Uiso 1 1 calc R
C14 C 0.5972(10) 0.1919(8) 0.5431(7) 0.063(2) Uani 1 1 d .
C15 C 0.5892(8) 0.1310(8) 0.4159(7) 0.056(2) Uani 1 1 d .
C16 C 0.7012(9) 0.1085(8) 0.3706(8) 0.066(2) Uani 1 1 d .
H16 H 0.7005 0.0707 0.2847 0.079 Uiso 1 1 calc R
C17 C 0.8118(10) 0.1449(10) 0.4590(10) 0.084(3) Uani 1 1 d .
H17 H 0.8858 0.1262 0.4323 0.100 Uiso 1 1 calc R
C18 C 0.8181(11) 0.2099(11) 0.5897(9) 0.088(3) Uani 1 1 d .
H18 H 0.8978 0.2383 0.6461 0.105 Uiso 1 1 calc R
C19 C 0.7083(11) 0.2313(9) 0.6334(8) 0.080(3) Uani 1 1 d .
H19 H 0.7086 0.2703 0.7191 0.096 Uiso 1 1 calc R
C20 C 0.3964(10) 0.1432(9) 0.4372(8) 0.070(2) Uani 1 1 d .
H20 H 0.3079 0.1366 0.4198 0.083 Uiso 1 1 calc R
O7 O 0.5797(17) 0.5563(17) 0.9812(16) 0.120(5) Uani 0.50 1 d P
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N1 Cu1 N4 94.8(3) . .
N1 Cu1 O6 163.7(3) . 2_655
N4 Cu1 O6 97.7(2) . 2_655
N1 Cu1 O5 94.4(3) . 2_655
N4 Cu1 O5 155.9(3) . 2_655
O6 Cu1 O5 70.1(2) 2_655 2_655
N1 Cu1 O3 91.2(3) . .
N4 Cu1 O3 97.6(3) . .
O6 Cu1 O3 97.4(2) 2_655 .
O5 Cu1 O3 104.4(3) 2_655 .
N1 Cu1 S1 129.4(2) . 2_655
N4 Cu1 S1 130.32(17) . 2_655
O6 Cu1 S1 35.06(16) 2_655 2_655
O5 Cu1 S1 35.08(15) 2_655 2_655
O3 Cu1 S1 102.14(16) . 2_655
O4 S1 O3 111.1(4) . .
O4 S1 O5 112.0(4) . .
O3 S1 O5 110.6(3) . .
O4 S1 O6 110.5(4) . .
O3 S1 O6 111.3(4) . .
O5 S1 O6 101.0(3) . .
O4 S1 Cu1 126.7(3) . 2_655
O3 S1 Cu1 122.2(3) . 2_655
O5 S1 Cu1 51.5(2) . 2_655
O6 S1 Cu1 49.57(18) . 2_655
C9 O1 C10 112.3(8) . .
C12 O2 C11 110.4(8) . .
S1 O3 Cu1 135.3(3) . .
S1 O5 Cu1 93.5(3) . 2_655
S1 O6 Cu1 95.4(3) . 2_655
C7 N1 C2 106.0(7) . .
C7 N1 Cu1 125.7(7) . .
C2 N1 Cu1 128.0(6) . .
C7 N2 C1 107.9(8) . .
C7 N2 C8 122.7(11) . .
C1 N2 C8 129.1(10) . .
C20 N3 C14 106.4(6) . .
C20 N3 C13 126.4(8) . .
C14 N3 C13 127.1(7) . .
C20 N4 C15 103.7(7) . .
C20 N4 Cu1 126.3(6) . .
C15 N4 Cu1 130.0(5) . .
C6 C1 C2 124.3(13) . .
C6 C1 N2 131.2(10) . .
C2 C1 N2 104.3(9) . .
C3 C2 C1 117.7(11) . .
C3 C2 N1 131.6(8) . .
C1 C2 N1 110.6(10) . .
C2 C3 C4 118.2(9) . .
C2 C3 H3 120.9 . .
C4 C3 H3 120.9 . .
C5 C4 C3 122.4(13) . .
C5 C4 H4 118.8 . .
C3 C4 H4 118.8 . .
C6 C5 C4 121.0(13) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C1 116.1(11) . .
C5 C6 H6 121.9 . .
C1 C6 H6 121.9 . .
N1 C7 N2 111.1(10) . .
N1 C7 H7 124.5 . .
N2 C7 H7 124.5 . .
N2 C8 C9 108.9(8) . .
N2 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
N2 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
O1 C9 C8 107.1(9) . .
O1 C9 H9A 110.3 . .
C8 C9 H9A 110.3 . .
O1 C9 H9B 110.3 . .
C8 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
O1 C10 C11 108.7(9) . .
O1 C10 H10A 109.9 . .
C11 C10 H10A 110.0 . .
O1 C10 H10B 109.9 . .
C11 C10 H10B 109.9 . .
H10A C10 H10B 108.3 . .
O2 C11 C10 106.8(8) . .
O2 C11 H11A 110.4 . .
C10 C11 H11A 110.4 . .
O2 C11 H11B 110.4 . .
C10 C11 H11B 110.4 . .
H11A C11 H11B 108.6 . .
O2 C12 C13 107.1(8) . .
O2 C12 H12A 110.3 . .
C13 C12 H12A 110.3 . .
O2 C12 H12B 110.3 . .
C13 C12 H12B 110.3 . .
H12A C12 H12B 108.6 . .
N3 C13 C12 110.7(8) . .
N3 C13 H13A 109.5 . .
C12 C13 H13A 109.5 . .
N3 C13 H13B 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C15 C14 C19 124.8(9) . .
C15 C14 N3 104.3(7) . .
C19 C14 N3 130.8(8) . .
C14 C15 C16 119.5(8) . .
C14 C15 N4 111.3(7) . .
C16 C15 N4 129.2(7) . .
C17 C16 C15 116.6(8) . .
C17 C16 H16 121.7 . .
C15 C16 H16 121.7 . .
C16 C17 C18 122.6(9) . .
C16 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
C19 C18 C17 120.5(9) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C14 115.9(9) . .
C18 C19 H19 122.0 . .
C14 C19 H19 122.0 . .
N4 C20 N3 114.3(8) . .
N4 C20 H20 122.9 . .
N3 C20 H20 122.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.940(7) .
Cu1 N4 1.977(7) .
Cu1 O6 1.982(5) 2_655
Cu1 O5 2.032(6) 2_655
Cu1 O3 2.264(7) .
Cu1 S1 2.592(3) 2_655
S1 O4 1.432(7) .
S1 O3 1.438(6) .
S1 O5 1.492(5) .
S1 O6 1.496(6) .
S1 Cu1 2.592(3) 2_655
O1 C9 1.380(13) .
O1 C10 1.411(11) .
O2 C12 1.395(12) .
O2 C11 1.413(10) .
O5 Cu1 2.032(6) 2_655
O6 Cu1 1.982(5) 2_655
N1 C7 1.322(12) .
N1 C2 1.388(12) .
N2 C7 1.363(12) .
N2 C1 1.406(14) .
N2 C8 1.495(12) .
N3 C20 1.342(10) .
N3 C14 1.415(11) .
N3 C13 1.472(10) .
N4 C20 1.313(10) .
N4 C15 1.400(9) .
C1 C6 1.388(16) .
C1 C2 1.378(11) .
C2 C3 1.369(13) .
C3 C4 1.373(13) .
C3 H3 0.9300 .
C4 C5 1.370(15) .
C4 H4 0.9300 .
C5 C6 1.340(18) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.523(14) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.523(14) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.549(13) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.371(10) .
C14 C19 1.374(12) .
C15 C16 1.397(11) .
C16 C17 1.366(11) .
C16 H16 0.9300 .
C17 C18 1.415(13) .
C17 H17 0.9300 .
C18 C19 1.365(14) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
O7 O7 1.83(3) 2_667
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
O4 S1 O3 Cu1 169.9(5) . .
O5 S1 O3 Cu1 -65.1(6) . .
O6 S1 O3 Cu1 46.3(5) . .
Cu1 S1 O3 Cu1 -8.4(6) 2_655 .
N1 Cu1 O3 S1 -123.5(5) . .
N4 Cu1 O3 S1 141.4(5) . .
O6 Cu1 O3 S1 42.6(5) 2_655 .
O5 Cu1 O3 S1 -28.7(5) 2_655 .
S1 Cu1 O3 S1 7.3(5) 2_655 .
O4 S1 O5 Cu1 -120.2(4) . 2_655
O3 S1 O5 Cu1 115.3(3) . 2_655
O6 S1 O5 Cu1 -2.6(4) . 2_655
O4 S1 O6 Cu1 121.3(4) . 2_655
O3 S1 O6 Cu1 -114.8(3) . 2_655
O5 S1 O6 Cu1 2.7(4) . 2_655
N4 Cu1 N1 C7 79.1(8) . .
O6 Cu1 N1 C7 -140.7(10) 2_655 .
O5 Cu1 N1 C7 -123.2(8) 2_655 .
O3 Cu1 N1 C7 -18.6(8) . .
S1 Cu1 N1 C7 -125.5(7) 2_655 .
N4 Cu1 N1 C2 -106.9(8) . .
O6 Cu1 N1 C2 33.3(16) 2_655 .
O5 Cu1 N1 C2 50.9(8) 2_655 .
O3 Cu1 N1 C2 155.4(7) . .
S1 Cu1 N1 C2 48.5(9) 2_655 .
N1 Cu1 N4 C20 18.0(7) . .
O6 Cu1 N4 C20 -151.5(7) 2_655 .
O5 Cu1 N4 C20 -94.1(8) 2_655 .
O3 Cu1 N4 C20 109.9(7) . .
S1 Cu1 N4 C20 -137.1(6) 2_655 .
N1 Cu1 N4 C15 -163.9(7) . .
O6 Cu1 N4 C15 26.6(7) 2_655 .
O5 Cu1 N4 C15 84.0(9) 2_655 .
O3 Cu1 N4 C15 -72.0(6) . .
S1 Cu1 N4 C15 41.1(8) 2_655 .
C7 N2 C1 C6 -175.8(10) . .
C8 N2 C1 C6 9.8(18) . .
C7 N2 C1 C2 -0.6(10) . .
C8 N2 C1 C2 -175.0(8) . .
C6 C1 C2 C3 -3.2(14) . .
N2 C1 C2 C3 -178.8(8) . .
C6 C1 C2 N1 174.8(9) . .
N2 C1 C2 N1 -0.8(10) . .
C7 N1 C2 C3 179.6(10) . .
Cu1 N1 C2 C3 4.6(15) . .
C7 N1 C2 C1 1.9(10) . .
Cu1 N1 C2 C1 -173.0(6) . .
C1 C2 C3 C4 -1.1(13) . .
N1 C2 C3 C4 -178.7(9) . .
C2 C3 C4 C5 4.4(15) . .
C3 C4 C5 C6 -3.4(18) . .
C4 C5 C6 C1 -0.9(18) . .
C2 C1 C6 C5 4.2(16) . .
N2 C1 C6 C5 178.5(11) . .
C2 N1 C7 N2 -2.3(10) . .
Cu1 N1 C7 N2 172.8(6) . .
C1 N2 C7 N1 1.9(11) . .
C8 N2 C7 N1 176.7(8) . .
C7 N2 C8 C9 -97.4(13) . .
C1 N2 C8 C9 76.3(14) . .
C10 O1 C9 C8 -178.0(8) . .
N2 C8 C9 O1 63.5(14) . .
C9 O1 C10 C11 177.0(8) . .
C12 O2 C11 C10 -167.6(9) . .
O1 C10 C11 O2 -70.5(10) . .
C11 O2 C12 C13 179.9(8) . .
C20 N3 C13 C12 -76.7(12) . .
C14 N3 C13 C12 100.7(10) . .
O2 C12 C13 N3 70.2(11) . .
C20 N3 C14 C15 -1.1(8) . .
C13 N3 C14 C15 -179.0(8) . .
C20 N3 C14 C19 -178.9(9) . .
C13 N3 C14 C19 3.3(14) . .
C19 C14 C15 C16 -1.5(13) . .
N3 C14 C15 C16 -179.4(7) . .
C19 C14 C15 N4 178.9(8) . .
N3 C14 C15 N4 0.9(8) . .
C20 N4 C15 C14 -0.4(9) . .
Cu1 N4 C15 C14 -178.8(5) . .
C20 N4 C15 C16 -179.9(8) . .
Cu1 N4 C15 C16 1.6(12) . .
C14 C15 C16 C17 2.4(12) . .
N4 C15 C16 C17 -178.0(8) . .
C15 C16 C17 C18 -3.7(14) . .
C16 C17 C18 C19 4.0(16) . .
C17 C18 C19 C14 -2.8(14) . .
C15 C14 C19 C18 1.6(13) . .
N3 C14 C19 C18 179.0(9) . .
C15 N4 C20 N3 -0.4(9) . .
Cu1 N4 C20 N3 178.1(5) . .
C14 N3 C20 N4 1.0(10) . .
C13 N3 C20 N4 178.9(8) . .
