#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:08:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180467 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/36/7213673.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_7213673
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Bi, Yue'
'Zhao, Xiao-Jun'
'Zhao, Zhi-Xiang'
'Wang, Jian-Hua'
'Wang, Xiu-Guang'
_publ_section_title
;
 Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand
 with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure
 and conformations
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1950
_journal_paper_doi               10.1039/c3ce40957k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C24 H22 Cu N4 O6 S'
_chemical_formula_weight         558.06
_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                102.8160(10)
_cell_angle_beta                 103.3060(10)
_cell_angle_gamma                98.2450(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8299(4)
_cell_length_b                   11.2063(5)
_cell_length_c                   11.6827(5)
_cell_measurement_reflns_used    4448
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      2.58
_cell_volume                     1195.26(9)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0094
_diffrn_reflns_av_sigmaI/netI    0.0180
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6047
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.8417
_exptl_absorpt_correction_T_min  0.8019
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.407
_refine_diff_density_min         -1.308
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4167
_refine_ls_number_restraints     146
_refine_ls_restrained_S_all      1.324
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0853
_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)+(0.1204P)²+7.2906P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2243
_refine_ls_wR_factor_ref         0.2304
_reflns_number_gt                3768
_reflns_number_total             4167
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40957k.txt
_cod_data_source_block           100316a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/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/current/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      P-1
_cod_database_code               7213673
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 0.06053(9) 0.38842(8) 0.35360(9) 0.0334(4) Uani 1 1 d .
S1 S -0.08006(19) 0.56572(17) 0.34894(17) 0.0326(5) Uani 1 1 d .
O1 O 0.2724(8) -0.0540(7) 0.3501(9) 0.077(2) Uani 1 1 d D
O2 O 0.5080(6) 0.1032(5) 0.3820(6) 0.0473(14) Uani 1 1 d .
O3 O -0.1328(6) 0.4267(5) 0.3221(6) 0.0450(14) Uani 1 1 d .
O4 O 0.0781(6) 0.5737(5) 0.3774(6) 0.0409(13) Uani 1 1 d .
O5 O -0.1186(7) 0.6302(6) 0.4558(6) 0.0542(17) Uani 1 1 d .
O6 O -0.1324(7) 0.6125(6) 0.2462(6) 0.0529(16) Uani 1 1 d .
N3 N 0.4769(6) 0.3503(6) 0.3763(6) 0.0320(13) Uani 1 1 d .
N4 N 0.2565(6) 0.3841(6) 0.3442(6) 0.0336(14) Uani 1 1 d .
N2 N -0.0033(7) -0.0014(5) 0.2339(6) 0.107(4) Uani 1 1 d GDU
C7 C 0.0618(7) 0.1167(6) 0.3179(6) 0.087(3) Uani 1 1 d GDU
H7 H 0.1350 0.1313 0.3890 0.104 Uiso 1 1 calc R
N1 N -0.0045(7) 0.2086(5) 0.2744(6) 0.072(2) Uani 1 1 d GDU
C1 C -0.1105(5) 0.1473(4) 0.1634(5) 0.075(2) Uani 1 1 d GDU
C2 C -0.1098(6) 0.0175(4) 0.1384(5) 0.088(2) Uani 1 1 d GDU
C3 C -0.2023(8) -0.0632(5) 0.0363(6) 0.100(3) Uani 1 1 d GDU
H3 H -0.2020 -0.1483 0.0198 0.120 Uiso 1 1 calc R
C4 C -0.2973(8) -0.0183(7) -0.0433(6) 0.106(3) Uani 1 1 d GDU
H4 H -0.3605 -0.0733 -0.1131 0.127 Uiso 1 1 calc R
C5 C -0.2977(8) 0.1088(8) -0.0186(6) 0.098(3) Uani 1 1 d GDU
H5 H -0.3612 0.1389 -0.0719 0.118 Uiso 1 1 calc R
C6 C -0.2031(7) 0.1910(6) 0.0857(6) 0.084(2) Uani 1 1 d GDU
H6 H -0.2035 0.2760 0.1022 0.100 Uiso 1 1 calc R
C8 C 0.0323(11) -0.1227(6) 0.2117(9) 0.128(6) Uani 1 1 d GDU
H8A H 0.0810 -0.1347 0.1479 0.154 Uiso 1 1 calc R
H8B H -0.0525 -0.1883 0.1885 0.154 Uiso 1 1 calc R
C9 C 0.1287(12) -0.1219(14) 0.3311(12) 0.100(4) Uani 1 1 d DU
H9A H 0.0904 -0.0837 0.3965 0.120 Uiso 1 1 calc R
H9B H 0.1315 -0.2073 0.3342 0.120 Uiso 1 1 calc R
C10 C 0.3804(12) -0.1051(9) 0.3237(9) 0.059(3) Uani 1 1 d .
C11 C 0.5090(11) -0.0205(8) 0.3410(8) 0.051(2) Uani 1 1 d .
C12 C 0.6272(14) -0.0660(11) 0.3180(11) 0.068(3) Uani 1 1 d .
H12 H 0.7121 -0.0110 0.3280 0.081 Uiso 1 1 calc R
C13 C 0.617(2) -0.1951(13) 0.2797(12) 0.092(5) Uani 1 1 d .
H13 H 0.6976 -0.2249 0.2673 0.110 Uiso 1 1 calc R
C14 C 0.496(2) -0.2776(11) 0.2602(12) 0.086(4) Uani 1 1 d .
H14 H 0.4910 -0.3631 0.2336 0.103 Uiso 1 1 calc R
C15 C 0.3751(18) -0.2316(10) 0.2812(11) 0.082(4) Uani 1 1 d .
H15 H 0.2896 -0.2878 0.2660 0.098 Uiso 1 1 calc R
C16 C 0.6293(9) 0.1915(8) 0.3826(9) 0.046(2) Uani 1 1 d .
H16A H 0.6359 0.1851 0.2999 0.055 Uiso 1 1 calc R
H16B H 0.7164 0.1750 0.4294 0.055 Uiso 1 1 calc R
C17 C 0.6099(8) 0.3199(7) 0.4392(8) 0.0400(18) Uani 1 1 d .
H17A H 0.6106 0.3263 0.5235 0.048 Uiso 1 1 calc R
H17B H 0.6902 0.3812 0.4390 0.048 Uiso 1 1 calc R
C18 C 0.4411(8) 0.3679(7) 0.2605(7) 0.0335(16) Uani 1 1 d .
C19 C 0.3025(8) 0.3894(7) 0.2400(7) 0.0343(16) Uani 1 1 d .
C20 C 0.2330(10) 0.4099(8) 0.1314(8) 0.047(2) Uani 1 1 d .
H20 H 0.1408 0.4250 0.1180 0.057 Uiso 1 1 calc R
C21 C 0.3064(13) 0.4071(9) 0.0436(9) 0.060(3) Uani 1 1 d .
H21 H 0.2631 0.4209 -0.0306 0.072 Uiso 1 1 calc R
C22 C 0.4465(12) 0.3836(10) 0.0646(9) 0.056(2) Uani 1 1 d .
H22 H 0.4921 0.3801 0.0028 0.068 Uiso 1 1 calc R
C23 C 0.5165(10) 0.3659(8) 0.1723(8) 0.047(2) Uani 1 1 d .
H23 H 0.6097 0.3530 0.1866 0.057 Uiso 1 1 calc R
C24 C 0.3630(8) 0.3599(7) 0.4205(7) 0.0334(16) Uani 1 1 d .
H24 H 0.3600 0.3503 0.4970 0.040 Uiso 1 1 calc R
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_3
N4 Cu1 N1 92.1(3) .
N4 Cu1 O3 160.2(3) .
N1 Cu1 O3 95.2(3) .
N4 Cu1 O4 96.3(2) .
N1 Cu1 O4 159.0(3) .
O3 Cu1 O4 71.0(2) .
N4 Cu1 O5 90.4(3) 2_566
N1 Cu1 O5 96.0(3) 2_566
O3 Cu1 O5 107.0(3) 2_566
O4 Cu1 O5 103.1(2) 2_566
O6 S1 O5 111.1(4) .
O6 S1 O4 112.1(4) .
O5 S1 O4 110.4(4) .
O6 S1 O3 112.0(4) .
O5 S1 O3 109.9(4) .
O4 S1 O3 100.8(3) .
C10 O1 C9 125.4(10) .
C11 O2 C16 117.0(7) .
S1 O3 Cu1 94.6(3) .
S1 O4 Cu1 93.6(3) .
S1 O5 Cu1 129.6(3) 2_566
C24 N3 C18 107.0(6) .
C24 N3 C17 125.2(7) .
C18 N3 C17 127.7(7) .
C24 N4 C19 105.9(6) .
C24 N4 Cu1 129.8(5) .
C19 N4 Cu1 123.8(5) .
C2 N2 C7 108.0 .
C2 N2 C8 115.5 .
C7 N2 C8 135.0 .
N2 C7 N1 108.0 .
N2 C7 H7 126.0 .
N1 C7 H7 126.0 .
C1 N1 C7 108.0 .
C1 N1 Cu1 129.0(3) .
C7 N1 Cu1 122.8(3) .
C6 C1 C2 120.1 .
C6 C1 N1 131.9 .
C2 C1 N1 108.0 .
C3 C2 C1 120.0 .
C3 C2 N2 132.0 .
C1 C2 N2 108.0 .
C2 C3 C4 119.9 .
C2 C3 H3 120.1 .
C4 C3 H3 120.1 .
C3 C4 C5 120.0 .
C3 C4 H4 120.0 .
C5 C4 H4 120.0 .
C6 C5 C4 120.0 .
C6 C5 H5 120.0 .
C4 C5 H5 120.0 .
C1 C6 C5 120.1 .
C1 C6 H6 120.0 .
C5 C6 H6 120.0 .
N2 C8 C9 103.7(8) .
N2 C8 H8A 111.0 .
C9 C8 H8A 111.0 .
N2 C8 H8B 111.0 .
C9 C8 H8B 111.0 .
H8A C8 H8B 109.0 .
O1 C9 C8 112.0(9) .
O1 C9 H9A 109.2 .
C8 C9 H9A 109.2 .
O1 C9 H9B 109.2 .
C8 C9 H9B 109.2 .
H9A C9 H9B 107.9 .
O1 C10 C15 125.6(11) .
O1 C10 C11 116.0(8) .
C15 C10 C11 118.5(12) .
O2 C11 C12 124.3(10) .
O2 C11 C10 116.1(9) .
C12 C11 C10 119.6(9) .
C11 C12 C13 119.4(13) .
C11 C12 H12 120.3 .
C13 C12 H12 120.3 .
C14 C13 C12 122.4(14) .
C14 C13 H13 118.8 .
C12 C13 H13 118.8 .
C13 C14 C15 118.3(11) .
C13 C14 H14 120.9 .
C15 C14 H14 120.9 .
C10 C15 C14 121.9(13) .
C10 C15 H15 119.1 .
C14 C15 H15 119.1 .
O2 C16 C17 107.6(7) .
O2 C16 H16A 110.2 .
C17 C16 H16A 110.2 .
O2 C16 H16B 110.2 .
C17 C16 H16B 110.2 .
H16A C16 H16B 108.5 .
N3 C17 C16 113.6(7) .
N3 C17 H17A 108.9 .
C16 C17 H17A 108.9 .
N3 C17 H17B 108.9 .
C16 C17 H17B 108.9 .
H17A C17 H17B 107.7 .
N3 C18 C19 106.3(6) .
N3 C18 C23 131.9(8) .
C19 C18 C23 121.8(8) .
C20 C19 C18 121.5(8) .
C20 C19 N4 130.6(8) .
C18 C19 N4 107.9(7) .
C19 C20 C21 117.1(9) .
C19 C20 H20 121.5 .
C21 C20 H20 121.5 .
C20 C21 C22 121.1(9) .
C20 C21 H21 119.5 .
C22 C21 H21 119.5 .
C23 C22 C21 122.0(9) .
C23 C22 H22 119.0 .
C21 C22 H22 119.0 .
C22 C23 C18 116.5(9) .
C22 C23 H23 121.7 .
C18 C23 H23 121.7 .
N4 C24 N3 112.8(7) .
N4 C24 H24 123.6 .
N3 C24 H24 123.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 1.962(6) .
Cu1 N1 1.964(5) .
Cu1 O3 1.979(5) .
Cu1 O4 2.009(5) .
Cu1 O5 2.232(6) 2_566
S1 O6 1.432(6) .
S1 O5 1.456(6) .
S1 O4 1.499(6) .
S1 O3 1.507(6) .
O1 C10 1.340(14) .
O1 C9 1.448(10) .
O2 C11 1.365(10) .
O2 C16 1.434(11) .
O5 Cu1 2.232(6) 2_566
N3 C24 1.344(10) .
N3 C18 1.382(10) .
N3 C17 1.471(9) .
N4 C24 1.313(10) .
N4 C19 1.403(10) .
N2 C2 1.4200 .
N2 C7 1.4200 .
N2 C8 1.4357 .
C7 N1 1.4200 .
C7 H7 0.9300 .
N1 C1 1.4200 .
C1 C6 1.3552 .
C1 C2 1.4200 .
C2 C3 1.3624 .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 C9 1.492(10) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.383(15) .
C10 C11 1.411(15) .
C11 C12 1.391(15) .
C12 C13 1.398(17) .
C12 H12 0.9300 .
C13 C14 1.34(2) .
C13 H13 0.9300 .
C14 C15 1.41(2) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.503(12) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.393(11) .
C18 C23 1.399(11) .
C19 C20 1.379(11) .
C20 C21 1.381(14) .
C20 H20 0.9300 .
C21 C22 1.416(16) .
C21 H21 0.9300 .
C22 C23 1.360(14) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24 0.9300 .
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
O6 S1 O3 Cu1 120.3(4) . .
O5 S1 O3 Cu1 -115.6(3) . .
O4 S1 O3 Cu1 1.0(4) . .
N4 Cu1 O3 S1 -52.9(9) . .
N1 Cu1 O3 S1 -164.4(3) . .
O4 Cu1 O3 S1 -0.7(3) . .
O5 Cu1 O3 S1 97.6(3) 2_566 .
O6 S1 O4 Cu1 -120.2(3) . .
O5 S1 O4 Cu1 115.2(3) . .
O3 S1 O4 Cu1 -0.9(4) . .
N4 Cu1 O4 S1 165.1(3) . .
N1 Cu1 O4 S1 51.9(9) . .
O3 Cu1 O4 S1 0.7(3) . .
O5 Cu1 O4 S1 -103.0(3) 2_566 .
O6 S1 O5 Cu1 -175.9(5) . 2_566
O4 S1 O5 Cu1 -50.8(6) . 2_566
O3 S1 O5 Cu1 59.5(6) . 2_566
N1 Cu1 N4 C24 -87.4(7) . .
O3 Cu1 N4 C24 160.6(7) . .
O4 Cu1 N4 C24 111.9(7) . .
O5 Cu1 N4 C24 8.6(7) 2_566 .
N1 Cu1 N4 C19 82.5(6) . .
O3 Cu1 N4 C19 -29.5(11) . .
O4 Cu1 N4 C19 -78.2(6) . .
O5 Cu1 N4 C19 178.6(6) 2_566 .
C2 N2 C7 N1 0.0 . .
C8 N2 C7 N1 164.5 . .
N2 C7 N1 C1 0.0 . .
N2 C7 N1 Cu1 -175.0(5) . .
N4 Cu1 N1 C1 -119.5(4) . .
O3 Cu1 N1 C1 42.1(4) . .
O4 Cu1 N1 C1 -5.6(10) . .
O5 Cu1 N1 C1 149.9(4) 2_566 .
N4 Cu1 N1 C7 54.3(4) . .
O3 Cu1 N1 C7 -144.1(4) . .
O4 Cu1 N1 C7 168.2(6) . .
O5 Cu1 N1 C7 -36.3(4) 2_566 .
C7 N1 C1 C6 180.0 . .
Cu1 N1 C1 C6 -5.4(5) . .
C7 N1 C1 C2 0.0 . .
Cu1 N1 C1 C2 174.6(5) . .
C6 C1 C2 C3 0.0 . .
N1 C1 C2 C3 180.0 . .
C6 C1 C2 N2 180.0 . .
N1 C1 C2 N2 0.0 . .
C7 N2 C2 C3 180.0 . .
C8 N2 C2 C3 12.1 . .
C7 N2 C2 C1 0.0 . .
C8 N2 C2 C1 -167.9 . .
C1 C2 C3 C4 0.0 . .
N2 C2 C3 C4 180.0 . .
C2 C3 C4 C5 0.0 . .
C3 C4 C5 C6 0.0 . .
C2 C1 C6 C5 0.0 . .
N1 C1 C6 C5 180.0 . .
C4 C5 C6 C1 0.0 . .
C2 N2 C8 C9 -172.3(8) . .
C7 N2 C8 C9 24.0(8) . .
C10 O1 C9 C8 -94.4(14) . .
N2 C8 C9 O1 -78.7(13) . .
C9 O1 C10 C15 -4.2(17) . .
C9 O1 C10 C11 175.4(9) . .
C16 O2 C11 C12 10.3(13) . .
C16 O2 C11 C10 -170.8(8) . .
O1 C10 C11 O2 -0.2(13) . .
C15 C10 C11 O2 179.5(9) . .
O1 C10 C11 C12 178.7(9) . .
C15 C10 C11 C12 -1.6(15) . .
O2 C11 C12 C13 178.0(10) . .
C10 C11 C12 C13 -0.9(16) . .
C11 C12 C13 C14 2(2) . .
C12 C13 C14 C15 -1(2) . .
O1 C10 C15 C14 -177.5(11) . .
C11 C10 C15 C14 2.9(16) . .
C13 C14 C15 C10 -1.6(19) . .
C11 O2 C16 C17 -176.0(7) . .
C24 N3 C17 C16 108.9(9) . .
C18 N3 C17 C16 -67.4(10) . .
O2 C16 C17 N3 -57.5(9) . .
C24 N3 C18 C19 0.7(8) . .
C17 N3 C18 C19 177.5(7) . .
C24 N3 C18 C23 -178.7(8) . .
C17 N3 C18 C23 -1.8(13) . .
N3 C18 C19 C20 -179.5(7) . .
C23 C18 C19 C20 -0.1(12) . .
N3 C18 C19 N4 -0.2(8) . .
C23 C18 C19 N4 179.3(7) . .
C24 N4 C19 C20 178.9(8) . .
Cu1 N4 C19 C20 6.9(11) . .
C24 N4 C19 C18 -0.4(8) . .
Cu1 N4 C19 C18 -172.4(5) . .
C18 C19 C20 C21 0.5(12) . .
N4 C19 C20 C21 -178.7(8) . .
C19 C20 C21 C22 0.3(14) . .
C20 C21 C22 C23 -1.7(15) . .
C21 C22 C23 C18 2.1(14) . .
N3 C18 C23 C22 178.1(8) . .
C19 C18 C23 C22 -1.2(12) . .
C19 N4 C24 N3 0.9(8) . .
Cu1 N4 C24 N3 172.2(5) . .
C18 N3 C24 N4 -1.0(8) . .
C17 N3 C24 N4 -178.0(6) . .
