#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:33:07 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301779 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/40/1544017.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_1544017
loop_
_publ_author_name
'Wang Jing-lin'
'Zhao Ya-qin'
'Yang Bin-sheng'
_publ_section_title
;
 Transition metal complexes of asymmetrical aroyl-hydrazone ligand:
 Syntheses, structures, DNA binding and cleavage studies
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              484
_journal_page_last               496
_journal_paper_doi               10.1016/j.ica.2013.09.001
_journal_volume                  409B
_journal_year                    2014
_chemical_formula_sum            'C26 H22 Co N8 O8'
_chemical_formula_weight         633.45
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 112.719(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1820(10)
_cell_length_b                   21.283(2)
_cell_length_c                   12.15810(13)
_cell_measurement_reflns_used    1797
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.095
_cell_measurement_theta_min      2.194
_cell_volume                     2669.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(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  0.1010
_diffrn_reflns_av_sigmaI/netI    0.1159
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            14005
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.9520
_exptl_absorpt_correction_T_min  0.8652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1686
_refine_ls_R_factor_gt           0.0735
_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)+(0.0688P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1885
_reflns_number_gt                2044
_reflns_number_total             4718
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2014-409B-484-496-1.cif
_cod_data_source_block           090721a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value
'http://dx.doi.org/10.1016/j.ica.2013.09.001' was changed to
'10.1016/j.ica.2013.09.001'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_cell_volume        2669.0(4)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1544017
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.57358(9) 0.27954(4) 0.34078(7) 0.0583(3) Uani 1 1 d . . .
N1 N 0.4858(5) 0.2721(2) 0.1738(4) 0.0570(13) Uani 1 1 d . . .
N2 N 0.5410(5) 0.3095(2) 0.1147(5) 0.0621(14) Uani 1 1 d . . .
H2 H 0.5158 0.3098 0.0383 0.074 Uiso 1 1 calc R . .
N3 N 0.8274(7) 0.4070(3) 0.1847(6) 0.0856(19) Uani 1 1 d . A .
N4 N 0.7148(13) 0.5185(7) -0.0618(9) 0.118(3) Uani 1 1 d . . .
N5 N 0.6654(6) 0.2997(2) 0.4998(5) 0.0587(14) Uani 1 1 d . . .
N6 N 0.6081(6) 0.3454(3) 0.5410(5) 0.0695(16) Uani 1 1 d . . .
H6 H 0.6382 0.3596 0.6127 0.083 Uiso 1 1 calc R . .
N7 N 0.4448(6) 0.4421(3) 0.5886(5) 0.0679(16) Uani 1 1 d . . .
N8 N 0.1721(8) 0.5304(4) 0.4074(9) 0.101(2) Uani 1 1 d . . .
O1 O 0.4709(4) 0.21874(19) 0.3774(4) 0.0618(11) Uani 1 1 d . . .
O2 O 0.6734(4) 0.34096(19) 0.2983(4) 0.0658(12) Uani 1 1 d . . .
O3 O 0.59(6) 0.527(16) -0.11(4) 0.14(5) Uani 0.31(16) 1 d P A 1
O4 O 0.780(12) 0.563(9) -0.065(4) 0.14(4) Uani 0.31(16) 1 d P A 1
O3' O 0.61(2) 0.542(7) -0.110(19) 0.142(19) Uani 0.69(16) 1 d P A 2
O4' O 0.827(6) 0.525(4) -0.0688(16) 0.139(16) Uani 0.69(16) 1 d P A 2
O5 O 0.6868(5) 0.2167(2) 0.3351(4) 0.0746(13) Uani 1 1 d . . .
O6 O 0.4587(4) 0.34235(19) 0.3482(4) 0.0631(12) Uani 1 1 d . . .
O7 O 0.1093(6) 0.5305(3) 0.2988(7) 0.120(2) Uani 1 1 d . . .
O8 O 0.1442(6) 0.5668(3) 0.4741(7) 0.146(3) Uani 1 1 d . . .
C1 C 0.3885(7) 0.2367(3) 0.1154(6) 0.0602(18) Uani 1 1 d . . .
H1 H 0.3566 0.2375 0.0325 0.072 Uiso 1 1 calc R . .
C2 C 0.3268(6) 0.1961(3) 0.1722(6) 0.0581(17) Uani 1 1 d . . .
C3 C 0.3665(7) 0.1898(3) 0.2968(6) 0.0600(17) Uani 1 1 d . . .
C4 C 0.2966(7) 0.1499(3) 0.3402(7) 0.071(2) Uani 1 1 d . . .
H4 H 0.3210 0.1455 0.4221 0.086 Uiso 1 1 calc R . .
C5 C 0.1902(7) 0.1166(3) 0.2625(7) 0.081(2) Uani 1 1 d . . .
H5 H 0.1438 0.0905 0.2931 0.097 Uiso 1 1 calc R . .
C6 C 0.1528(7) 0.1218(4) 0.1403(7) 0.080(2) Uani 1 1 d . . .
H6A H 0.0833 0.0985 0.0889 0.096 Uiso 1 1 calc R . .
C7 C 0.2196(7) 0.1617(3) 0.0960(7) 0.073(2) Uani 1 1 d . . .
H7 H 0.1934 0.1661 0.0139 0.088 Uiso 1 1 calc R . .
C8 C 0.6373(7) 0.3453(3) 0.1864(7) 0.0679(19) Uani 1 1 d . . .
C9 C 0.6957(8) 0.3906(3) 0.1323(7) 0.073(2) Uani 1 1 d . A .
C10 C 0.6379(8) 0.4284(4) 0.0344(7) 0.091(2) Uani 1 1 d . . .
H10 H 0.5510 0.4288 -0.0168 0.110 Uiso 1 1 calc R A .
C11 C 0.7361(11) 0.4658(4) 0.0278(8) 0.102(3) Uani 1 1 d . A .
C12 C 0.8482(10) 0.4526(4) 0.1148(9) 0.105(3) Uani 1 1 d . . .
H12 H 0.9275 0.4711 0.1265 0.125 Uiso 1 1 calc R A .
C13 C 0.9236(8) 0.3808(4) 0.2950(8) 0.112(3) Uani 1 1 d . . .
H13A H 1.0084 0.3955 0.3052 0.167 Uiso 1 1 calc R A .
H13B H 0.9215 0.3358 0.2905 0.167 Uiso 1 1 calc R . .
H13C H 0.9039 0.3941 0.3616 0.167 Uiso 1 1 calc R . .
C14 C 0.7826(7) 0.2829(3) 0.5656(6) 0.0700(19) Uani 1 1 d . . .
H14 H 0.8221 0.3009 0.6408 0.084 Uiso 1 1 calc R . .
C15 C 0.8549(8) 0.2377(3) 0.5279(7) 0.073(2) Uani 1 1 d . . .
C16 C 0.8040(8) 0.2072(3) 0.4184(7) 0.072(2) Uani 1 1 d . . .
C17 C 0.8821(8) 0.1606(4) 0.3937(8) 0.089(2) Uani 1 1 d . . .
H17 H 0.8488 0.1376 0.3234 0.107 Uiso 1 1 calc R . .
C18 C 1.0047(9) 0.1499(4) 0.4727(9) 0.101(3) Uani 1 1 d . . .
H18 H 1.0541 0.1201 0.4530 0.121 Uiso 1 1 calc R . .
C19 C 1.0613(8) 0.1811(4) 0.5824(9) 0.102(3) Uani 1 1 d . . .
H19 H 1.1458 0.1728 0.6348 0.122 Uiso 1 1 calc R . .
C20 C 0.9841(8) 0.2253(4) 0.6085(7) 0.090(2) Uani 1 1 d . . .
H20 H 1.0178 0.2471 0.6802 0.108 Uiso 1 1 calc R . .
C21 C 0.4977(7) 0.3653(3) 0.4537(7) 0.0615(18) Uani 1 1 d . . .
C22 C 0.4217(7) 0.4150(3) 0.4773(6) 0.0613(18) Uani 1 1 d . . .
C23 C 0.3164(7) 0.4435(3) 0.3938(7) 0.0689(19) Uani 1 1 d . . .
H23 H 0.2793 0.4347 0.3126 0.083 Uiso 1 1 calc R . .
C24 C 0.2761(8) 0.4883(4) 0.4548(8) 0.075(2) Uani 1 1 d . . .
C25 C 0.3554(7) 0.4862(4) 0.5745(7) 0.075(2) Uani 1 1 d . . .
H25 H 0.3477 0.5111 0.6344 0.089 Uiso 1 1 calc R . .
C26 C 0.5419(7) 0.4277(3) 0.7071(6) 0.087(2) Uani 1 1 d . . .
H26A H 0.6263 0.4391 0.7105 0.131 Uiso 1 1 calc R . .
H26B H 0.5401 0.3835 0.7224 0.131 Uiso 1 1 calc R . .
H26C H 0.5231 0.4510 0.7661 0.131 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'
O O 0.0106 0.0060 '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'
Co Co 0.3494 0.9721 '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 Co1 O5 95.4(2) . .
N5 Co1 O6 84.2(2) . .
O5 Co1 O6 179.2(2) . .
N5 Co1 N1 171.0(2) . .
O5 Co1 N1 88.7(2) . .
O6 Co1 N1 91.7(2) . .
N5 Co1 O1 93.2(2) . .
O5 Co1 O1 90.05(18) . .
O6 Co1 O1 89.26(18) . .
N1 Co1 O1 94.9(2) . .
N5 Co1 O2 88.7(2) . .
O5 Co1 O2 90.3(2) . .
O6 Co1 O2 90.44(18) . .
N1 Co1 O2 83.2(2) . .
O1 Co1 O2 178.08(18) . .
C1 N1 N2 120.4(5) . .
C1 N1 Co1 128.3(5) . .
N2 N1 Co1 111.3(4) . .
C8 N2 N1 113.8(6) . .
C8 N2 H2 123.1 . .
N1 N2 H2 123.1 . .
C12 N3 C9 107.2(7) . .
C12 N3 C13 126.7(8) . .
C9 N3 C13 126.2(7) . .
O3' N4 O4 98(9) . .
O3' N4 O4' 135(7) . .
O4 N4 O4' 45(7) . .
O3' N4 O3 17(10) . .
O4 N4 O3 115(10) . .
O4' N4 O3 149(10) . .
O3' N4 C11 121(7) . .
O4 N4 C11 133(5) . .
O4' N4 C11 104(3) . .
O3 N4 C11 106(10) . .
C14 N5 N6 118.6(6) . .
C14 N5 Co1 126.9(5) . .
N6 N5 Co1 113.5(4) . .
C21 N6 N5 110.7(6) . .
C21 N6 H6 124.7 . .
N5 N6 H6 124.7 . .
C25 N7 C22 108.5(6) . .
C25 N7 C26 120.6(6) . .
C22 N7 C26 130.8(7) . .
O7 N8 O8 120.9(9) . .
O7 N8 C24 118.7(8) . .
O8 N8 C24 120.5(9) . .
C3 O1 Co1 125.1(4) . .
C8 O2 Co1 111.3(4) . .
C16 O5 Co1 124.6(5) . .
C21 O6 Co1 110.1(4) . .
N1 C1 C2 123.1(6) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C7 C2 C3 119.5(6) . .
C7 C2 C1 116.2(6) . .
C3 C2 C1 124.3(6) . .
O1 C3 C4 117.3(6) . .
O1 C3 C2 124.1(6) . .
C4 C3 C2 118.5(6) . .
C3 C4 C5 120.8(7) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C6 C5 C4 120.8(7) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C7 C6 C5 119.1(7) . .
C7 C6 H6A 120.4 . .
C5 C6 H6A 120.4 . .
C6 C7 C2 121.3(7) . .
C6 C7 H7 119.4 . .
C2 C7 H7 119.4 . .
O2 C8 N2 120.2(6) . .
O2 C8 C9 121.5(6) . .
N2 C8 C9 118.3(7) . .
C10 C9 N3 107.9(7) . .
C10 C9 C8 129.5(8) . .
N3 C9 C8 122.4(7) . .
C9 C10 C11 105.6(8) . .
C9 C10 H10 127.2 . .
C11 C10 H10 127.2 . .
C12 C11 C10 111.1(8) . .
C12 C11 N4 124.7(10) . .
C10 C11 N4 124.0(10) . .
C11 C12 N3 108.1(8) . .
C11 C12 H12 125.9 . .
N3 C12 H12 125.9 . .
N3 C13 H13A 109.5 . .
N3 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N3 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N5 C14 C15 123.1(7) . .
N5 C14 H14 118.4 . .
C15 C14 H14 118.4 . .
C16 C15 C20 120.2(8) . .
C16 C15 C14 123.0(7) . .
C20 C15 C14 116.8(7) . .
O5 C16 C15 125.3(7) . .
O5 C16 C17 116.8(7) . .
C15 C16 C17 117.9(7) . .
C18 C17 C16 120.2(8) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 123.7(9) . .
C17 C18 H18 118.2 . .
C19 C18 H18 118.2 . .
C20 C19 C18 116.4(8) . .
C20 C19 H19 121.8 . .
C18 C19 H19 121.8 . .
C19 C20 C15 121.5(8) . .
C19 C20 H20 119.3 . .
C15 C20 H20 119.3 . .
O6 C21 N6 121.5(6) . .
O6 C21 C22 118.4(7) . .
N6 C21 C22 120.1(7) . .
C23 C22 N7 108.6(6) . .
C23 C22 C21 125.4(7) . .
N7 C22 C21 126.0(7) . .
C22 C23 C24 105.9(7) . .
C22 C23 H23 127.1 . .
C24 C23 H23 127.1 . .
C25 C24 C23 109.4(7) . .
C25 C24 N8 123.0(8) . .
C23 C24 N8 127.5(8) . .
N7 C25 C24 107.6(7) . .
N7 C25 H25 126.2 . .
C24 C25 H25 126.2 . .
N7 C26 H26A 109.5 . .
N7 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N7 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N5 1.856(5) .
Co1 O5 1.861(5) .
Co1 O6 1.880(4) .
Co1 N1 1.890(5) .
Co1 O1 1.894(4) .
Co1 O2 1.915(4) .
N1 C1 1.287(7) .
N1 N2 1.368(6) .
N2 C8 1.334(8) .
N2 H2 0.8600 .
N3 C12 1.368(10) .
N3 C9 1.404(9) .
N3 C13 1.468(9) .
N4 O3' 1.2(3) .
N4 O4 1.21(8) .
N4 O4' 1.29(5) .
N4 O3 1.3(6) .
N4 C11 1.516(16) .
N5 C14 1.295(7) .
N5 N6 1.362(6) .
N6 C21 1.348(8) .
N6 H6 0.8600 .
N7 C25 1.332(8) .
N7 C22 1.402(8) .
N7 C26 1.463(8) .
N8 O7 1.233(9) .
N8 O8 1.246(8) .
N8 C24 1.403(10) .
O1 C3 1.349(7) .
O2 C8 1.264(8) .
O5 C16 1.326(8) .
O6 C21 1.282(7) .
C1 C2 1.438(8) .
C1 H1 0.9300 .
C2 C7 1.405(8) .
C2 C3 1.411(9) .
C3 C4 1.388(8) .
C4 C5 1.394(9) .
C4 H4 0.9300 .
C5 C6 1.383(10) .
C5 H5 0.9300 .
C6 C7 1.372(9) .
C6 H6A 0.9300 .
C7 H7 0.9300 .
C8 C9 1.455(9) .
C9 C10 1.375(9) .
C10 C11 1.383(10) .
C10 H10 0.9300 .
C11 C12 1.321(11) .
C12 H12 0.9300 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.440(9) .
C14 H14 0.9300 .
C15 C16 1.391(10) .
C15 C20 1.423(10) .
C16 C17 1.427(9) .
C17 C18 1.355(10) .
C17 H17 0.9300 .
C18 C19 1.404(11) .
C18 H18 0.9300 .
C19 C20 1.393(10) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.452(9) .
C22 C23 1.365(9) .
C23 C24 1.385(9) .
C23 H23 0.9300 .
C24 C25 1.382(10) .
C25 H25 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N5 Co1 N1 C1 -151.3(14) . . . .
O5 Co1 N1 C1 91.1(5) . . . .
O6 Co1 N1 C1 -88.2(5) . . . .
O1 Co1 N1 C1 1.2(6) . . . .
O2 Co1 N1 C1 -178.4(6) . . . .
N5 Co1 N1 N2 30.3(18) . . . .
O5 Co1 N1 N2 -87.2(4) . . . .
O6 Co1 N1 N2 93.4(4) . . . .
O1 Co1 N1 N2 -177.2(4) . . . .
O2 Co1 N1 N2 3.2(4) . . . .
C1 N1 N2 C8 177.4(6) . . . .
Co1 N1 N2 C8 -4.1(6) . . . .
O5 Co1 N5 C14 13.7(6) . . . .
O6 Co1 N5 C14 -167.0(6) . . . .
N1 Co1 N5 C14 -103.3(16) . . . .
O1 Co1 N5 C14 104.0(6) . . . .
O2 Co1 N5 C14 -76.5(6) . . . .
O5 Co1 N5 N6 -178.2(4) . . . .
O6 Co1 N5 N6 1.1(4) . . . .
N1 Co1 N5 N6 64.8(17) . . . .
O1 Co1 N5 N6 -87.8(4) . . . .
O2 Co1 N5 N6 91.7(4) . . . .
C14 N5 N6 C21 168.5(6) . . . .
Co1 N5 N6 C21 -0.7(6) . . . .
N5 Co1 O1 C3 170.8(5) . . . .
O5 Co1 O1 C3 -93.8(5) . . . .
O6 Co1 O1 C3 86.6(5) . . . .
N1 Co1 O1 C3 -5.1(5) . . . .
O2 Co1 O1 C3 6(6) . . . .
N5 Co1 O2 C8 -177.7(5) . . . .
O5 Co1 O2 C8 86.9(5) . . . .
O6 Co1 O2 C8 -93.5(5) . . . .
N1 Co1 O2 C8 -1.8(4) . . . .
O1 Co1 O2 C8 -13(6) . . . .
N5 Co1 O5 C16 -12.7(5) . . . .
O6 Co1 O5 C16 -75(15) . . . .
N1 Co1 O5 C16 159.2(5) . . . .
O1 Co1 O5 C16 -105.9(5) . . . .
O2 Co1 O5 C16 76.0(5) . . . .
N5 Co1 O6 C21 -1.3(4) . . . .
O5 Co1 O6 C21 61(15) . . . .
N1 Co1 O6 C21 -173.2(4) . . . .
O1 Co1 O6 C21 91.9(4) . . . .
O2 Co1 O6 C21 -90.0(4) . . . .
N2 N1 C1 C2 179.6(5) . . . .
Co1 N1 C1 C2 1.3(9) . . . .
N1 C1 C2 C7 178.4(6) . . . .
N1 C1 C2 C3 -0.9(10) . . . .
Co1 O1 C3 C4 -175.2(4) . . . .
Co1 O1 C3 C2 6.7(8) . . . .
C7 C2 C3 O1 177.4(6) . . . .
C1 C2 C3 O1 -3.4(10) . . . .
C7 C2 C3 C4 -0.7(9) . . . .
C1 C2 C3 C4 178.5(6) . . . .
O1 C3 C4 C5 -177.8(6) . . . .
C2 C3 C4 C5 0.5(10) . . . .
C3 C4 C5 C6 0.8(11) . . . .
C4 C5 C6 C7 -1.9(11) . . . .
C5 C6 C7 C2 1.6(11) . . . .
C3 C2 C7 C6 -0.3(10) . . . .
C1 C2 C7 C6 -179.6(6) . . . .
Co1 O2 C8 N2 -0.1(8) . . . .
Co1 O2 C8 C9 177.8(5) . . . .
N1 N2 C8 O2 2.8(9) . . . .
N1 N2 C8 C9 -175.1(6) . . . .
C12 N3 C9 C10 -2.5(9) . . . .
C13 N3 C9 C10 176.4(7) . . . .
C12 N3 C9 C8 -176.8(7) . . . .
C13 N3 C9 C8 2.2(11) . . . .
O2 C8 C9 C10 -138.2(8) . . . .
N2 C8 C9 C10 39.7(12) . . . .
O2 C8 C9 N3 34.7(11) . . . .
N2 C8 C9 N3 -147.4(6) . . . .
N3 C9 C10 C11 1.5(9) . . . .
C8 C9 C10 C11 175.2(7) . . . .
C9 C10 C11 C12 0.2(11) . . . .
C9 C10 C11 N4 -175.2(9) . . . .
O3' N4 C11 C12 -154(11) . . . .
O4 N4 C11 C12 -13(13) . . . .
O4' N4 C11 C12 28(3) . . . .
O3 N4 C11 C12 -162(21) . . . .
O3' N4 C11 C10 21(11) . . . .
O4 N4 C11 C10 162(13) . . . .
O4' N4 C11 C10 -157(3) . . . .
O3 N4 C11 C10 12(21) . . . .
C10 C11 C12 N3 -1.8(11) . . . .
N4 C11 C12 N3 173.5(9) . . . .
C9 N3 C12 C11 2.6(10) . . . .
C13 N3 C12 C11 -176.3(8) . . . .
N6 N5 C14 C15 -176.4(6) . . . .
Co1 N5 C14 C15 -8.8(10) . . . .
N5 C14 C15 C16 -1.3(11) . . . .
N5 C14 C15 C20 178.2(6) . . . .
Co1 O5 C16 C15 7.4(10) . . . .
Co1 O5 C16 C17 -174.2(5) . . . .
C20 C15 C16 O5 -177.6(6) . . . .
C14 C15 C16 O5 1.9(12) . . . .
C20 C15 C16 C17 4.1(11) . . . .
C14 C15 C16 C17 -176.4(6) . . . .
O5 C16 C17 C18 177.6(7) . . . .
C15 C16 C17 C18 -4.0(11) . . . .
C16 C17 C18 C19 1.9(13) . . . .
C17 C18 C19 C20 0.0(14) . . . .
C18 C19 C20 C15 0.1(12) . . . .
C16 C15 C20 C19 -2.3(12) . . . .
C14 C15 C20 C19 178.2(7) . . . .
Co1 O6 C21 N6 1.4(7) . . . .
Co1 O6 C21 C22 179.7(4) . . . .
N5 N6 C21 O6 -0.5(8) . . . .
N5 N6 C21 C22 -178.7(5) . . . .
C25 N7 C22 C23 0.3(8) . . . .
C26 N7 C22 C23 177.7(6) . . . .
C25 N7 C22 C21 179.7(6) . . . .
C26 N7 C22 C21 -2.9(11) . . . .
O6 C21 C22 C23 -5.6(10) . . . .
N6 C21 C22 C23 172.7(6) . . . .
O6 C21 C22 N7 175.2(6) . . . .
N6 C21 C22 N7 -6.5(10) . . . .
N7 C22 C23 C24 0.3(8) . . . .
C21 C22 C23 C24 -179.0(6) . . . .
C22 C23 C24 C25 -0.8(8) . . . .
C22 C23 C24 N8 179.1(7) . . . .
O7 N8 C24 C25 177.5(8) . . . .
O8 N8 C24 C25 -2.6(12) . . . .
O7 N8 C24 C23 -2.5(13) . . . .
O8 N8 C24 C23 177.4(8) . . . .
C22 N7 C25 C24 -0.8(8) . . . .
C26 N7 C25 C24 -178.6(6) . . . .
C23 C24 C25 N7 1.1(8) . . . .
N8 C24 C25 N7 -178.9(6) . . . .
loop_
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1 PubChem 139049046
