#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:52:22 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254952 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/45/7704545.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_7704545
loop_
_publ_author_name
'Sugamata, Koh'
'Takagi, Chikaze'
'Awano, Keiko'
'Iihama, Teruyuki'
'Minoura, Mao'
_publ_section_title
;
 Structural analysis of and selective CO₂ adsorption in
 mixed-ligand hydroxamate-based metal-organic frameworks.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9948
_journal_page_last               9952
_journal_paper_doi               10.1039/d0dt01105c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C25 H22 Co2 N5 O9'
_chemical_formula_sum            'C25 H22 Co2 N5 O9'
_chemical_formula_weight         654.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-05-13 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.058(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.3165(17)
_cell_length_b                   11.9989(5)
_cell_length_c                   17.9499(9)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.19
_cell_volume                     7859.9(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28390
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.232
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_exptl_transmission_factor_max   0.7455
_exptl_transmission_factor_min   0.7084
_refine_diff_density_max         1.843
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7317
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1121P)²+13.8124P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1732
_refine_ls_wR_factor_ref         0.1794
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5818
_reflns_number_total             7317
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01105c2.cif
_cod_data_source_block           MOF-2
_cod_depositor_comments
'Adding full bibliography for 7704544--7704545.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7704545
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.957
_shelx_estimated_absorpt_t_max   0.991
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.65536(2) 0.57042(4) 0.72523(3) 0.00838(16) Uani 1 1 d . . . . .
Co2 Co 0.61485(2) 0.31204(4) 0.70837(3) 0.01083(17) Uani 1 1 d . . . . .
O1 O 0.60738(7) 0.4829(2) 0.72092(14) 0.0122(6) Uani 1 1 d . . . . .
N1 N 0.57952(8) 0.5128(3) 0.66032(18) 0.0126(7) Uani 1 1 d . . . . .
H1 H 0.576199 0.582912 0.646185 0.015 Uiso 1 1 calc R U . . .
C1 C 0.55826(10) 0.4345(3) 0.6246(2) 0.0140(8) Uani 1 1 d . . . . .
O2 O 0.56300(7) 0.3330(2) 0.64111(16) 0.0183(6) Uani 1 1 d . . . . .
C2 C 0.52776(10) 0.4706(3) 0.5606(2) 0.0164(8) Uani 1 1 d . . . . .
C3 C 0.51634(11) 0.3952(3) 0.5016(2) 0.0227(10) Uani 1 1 d . . . . .
H2 H 0.527330 0.323580 0.503115 0.027 Uiso 1 1 calc R U . . .
C4 C 0.48871(11) 0.4257(3) 0.4405(3) 0.0228(10) Uani 1 1 d . . . . .
H3 H 0.481065 0.375376 0.399433 0.027 Uiso 1 1 calc R U . . .
O3 O 0.62931(7) 0.7256(2) 0.70979(15) 0.0166(6) Uani 1 1 d . . . . .
C5 C 0.60330(11) 0.7786(3) 0.6712(2) 0.0197(9) Uani 1 1 d . . . . .
O4 O 0.57580(9) 0.7388(2) 0.6287(2) 0.0419(10) Uani 1 1 d . . . . .
C6 C 0.60633(11) 0.9049(3) 0.6772(2) 0.0202(9) Uani 1 1 d . . . . .
C7 C 0.58535(15) 0.9743(4) 0.6238(3) 0.0429(14) Uani 1 1 d . . . . .
H4 H 0.568421 0.943594 0.581847 0.051 Uiso 1 1 calc R U . . .
C8 C 0.58915(15) 1.0887(4) 0.6316(3) 0.0405(14) Uani 1 1 d . . . . .
H5 H 0.574896 1.135321 0.594007 0.049 Uiso 1 1 calc R U . . .
N2 N 0.61216(9) 1.1360(3) 0.69031(19) 0.0189(8) Uani 1 1 d . . . . .
C9 C 0.63321(14) 1.0676(4) 0.7385(3) 0.0396(14) Uani 1 1 d . . . . .
H6 H 0.650806 1.099670 0.778740 0.048 Uiso 1 1 calc R U . . .
C10 C 0.63126(14) 0.9532(4) 0.7341(3) 0.0371(13) Uani 1 1 d . . . . .
H7 H 0.647168 0.908523 0.770347 0.045 Uiso 1 1 calc R U . . .
O5 O 0.65203(7) 0.5308(2) 0.61020(15) 0.0148(6) Uani 1 1 d . . . . .
C11 C 0.64501(10) 0.4367(3) 0.5800(2) 0.0123(8) Uani 1 1 d . . . . .
O6 O 0.63497(7) 0.3496(2) 0.60877(15) 0.0168(6) Uani 1 1 d . . . . .
C12 C 0.64949(10) 0.4278(3) 0.4979(2) 0.0132(8) Uani 1 1 d . . . . .
C13 C 0.67651(13) 0.4867(4) 0.4733(3) 0.0334(12) Uani 1 1 d . . . . .
H8 H 0.692590 0.533869 0.507419 0.040 Uiso 1 1 calc R U . . .
C14 C 0.67996(13) 0.4764(4) 0.3987(3) 0.0327(12) Uani 1 1 d . . . . .
H9 H 0.699650 0.513850 0.383263 0.039 Uiso 1 1 calc R U . . .
N3 N 0.65659(8) 0.4155(3) 0.34614(18) 0.0129(7) Uani 1 1 d . . . . .
C15 C 0.63076(12) 0.3609(4) 0.3712(2) 0.0302(11) Uani 1 1 d . . . . .
H10 H 0.614201 0.316777 0.335775 0.036 Uiso 1 1 calc R U . . .
C16 C 0.62626(13) 0.3639(4) 0.4453(3) 0.0307(11) Uani 1 1 d . . . . .
H11 H 0.607245 0.322121 0.459956 0.037 Uiso 1 1 calc R U . . .
O7 O 0.66729(7) 0.2865(2) 0.77030(15) 0.0151(6) Uani 1 1 d . . . . .
C17 C 0.69407(10) 0.3418(3) 0.7591(2) 0.0134(8) Uani 1 1 d . . . . .
O8 O 0.69500(7) 0.4436(2) 0.74512(15) 0.0139(6) Uani 1 1 d . . . . .
C18 C 0.72990(10) 0.2794(3) 0.7638(2) 0.0136(8) Uani 1 1 d . . . . .
C19 C 0.73729(10) 0.1834(3) 0.8076(2) 0.0144(8) Uani 1 1 d . . . . .
H12 H 0.719944 0.154781 0.834601 0.017 Uiso 1 1 calc R U . . .
C20 C 0.77040(10) 0.1309(3) 0.8109(2) 0.0147(8) Uani 1 1 d . . . . .
H13 H 0.775887 0.066902 0.842438 0.018 Uiso 1 1 calc R U . . .
N4 N 0.79516(8) 0.1654(3) 0.77209(19) 0.0145(7) Uani 1 1 d . . . . .
C21 C 0.78757(11) 0.2563(3) 0.7293(2) 0.0205(9) Uani 1 1 d . . . . .
H14 H 0.804847 0.280546 0.700720 0.025 Uiso 1 1 calc R U . . .
C22 C 0.75575(11) 0.3169(3) 0.7246(2) 0.0210(9) Uani 1 1 d . . . . .
H15 H 0.751688 0.383124 0.694971 0.025 Uiso 1 1 calc R U . . .
O9 O 0.59627(8) 0.2870(3) 0.81172(19) 0.0309(8) Uani 1 1 d . . . . .
N5 N 0.6101(2) 0.2675(7) 0.9419(4) 0.095(2) Uani 1 1 d . . . A 1
C23 C 0.6180(3) 0.2622(7) 0.8721(5) 0.087(3) Uani 1 1 d . . . A 1
H16 H 0.641796 0.237897 0.868711 0.104 Uiso 1 1 calc R U . A 1
C24 C 0.6413(3) 0.2274(8) 1.0039(5) 0.139(5) Uani 1 1 d . . . A 1
H17 H 0.634225 0.232937 1.053345 0.208 Uiso 1 1 calc R U . A 1
H18 H 0.646976 0.149673 0.994239 0.208 Uiso 1 1 calc R U . A 1
H19 H 0.663001 0.273734 1.004341 0.208 Uiso 1 1 calc R U . A 1
C25 C 0.5747(3) 0.3241(11) 0.9462(7) 0.153(5) Uani 1 1 d . . . . .
H20 H 0.571516 0.323584 0.999034 0.229 Uiso 1 1 calc R U . A 1
H21 H 0.575215 0.401214 0.928535 0.229 Uiso 1 1 calc R U . A 1
H22 H 0.554272 0.284330 0.913885 0.229 Uiso 1 1 calc R U . A 1
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'
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
_geom_angle_publ_flag
O1 Co1 O3 94.15(10) . . ?
O1 Co1 O5 88.58(10) . . ?
O3 Co1 O5 98.12(11) . . ?
O1 Co1 O8 102.29(10) . . ?
O3 Co1 O8 163.47(10) . . ?
O5 Co1 O8 84.12(10) . . ?
O1 Co1 N4 178.51(11) . 4_656 ?
O3 Co1 N4 84.53(11) . 4_656 ?
O5 Co1 N4 90.92(11) . 4_656 ?
O8 Co1 N4 79.06(11) . 4_656 ?
O1 Co1 N3 85.07(11) . 6_566 ?
O3 Co1 N3 88.59(11) . 6_566 ?
O5 Co1 N3 171.09(11) . 6_566 ?
O8 Co1 N3 91.11(11) . 6_566 ?
N4 Co1 N3 95.58(12) 4_656 6_566 ?
O7 Co2 O2 176.78(11) . . ?
O7 Co2 O1 102.76(10) . . ?
O2 Co2 O1 79.30(10) . . ?
O7 Co2 O6 91.30(11) . . ?
O2 Co2 O6 86.28(11) . . ?
O1 Co2 O6 87.77(10) . . ?
O7 Co2 O9 87.39(11) . . ?
O2 Co2 O9 95.18(12) . . ?
O1 Co2 O9 88.26(12) . . ?
O6 Co2 O9 175.44(12) . . ?
O7 Co2 N2 86.79(11) . 1_545 ?
O2 Co2 N2 91.31(11) . 1_545 ?
O1 Co2 N2 169.86(11) . 1_545 ?
O6 Co2 N2 95.49(12) . 1_545 ?
O9 Co2 N2 88.80(14) . 1_545 ?
N1 O1 Co1 113.6(2) . . ?
N1 O1 Co2 105.34(19) . . ?
Co1 O1 Co2 111.68(11) . . ?
C1 N1 O1 118.5(3) . . ?
C1 N1 H1 120.7 . . ?
O1 N1 H1 120.7 . . ?
O2 C1 N1 122.6(3) . . ?
O2 C1 C2 120.4(3) . . ?
N1 C1 C2 116.9(3) . . ?
C1 O2 Co2 108.9(2) . . ?
C4 C2 C3 120.5(4) 5_666 . ?
C4 C2 C1 122.2(3) 5_666 . ?
C3 C2 C1 117.2(3) . . ?
C4 C3 C2 119.3(4) . . ?
C4 C3 H2 120.4 . . ?
C2 C3 H2 120.4 . . ?
C2 C4 C3 120.2(4) 5_666 . ?
C2 C4 H3 119.9 5_666 . ?
C3 C4 H3 119.9 . . ?
C5 O3 Co1 144.7(3) . . ?
O4 C5 O3 126.6(4) . . ?
O4 C5 C6 117.8(4) . . ?
O3 C5 C6 115.6(3) . . ?
C10 C6 C7 117.6(4) . . ?
C10 C6 C5 120.5(4) . . ?
C7 C6 C5 121.8(4) . . ?
C6 C7 C8 119.7(4) . . ?
C6 C7 H4 120.2 . . ?
C8 C7 H4 120.2 . . ?
N2 C8 C7 122.4(4) . . ?
N2 C8 H5 118.8 . . ?
C7 C8 H5 118.8 . . ?
C9 N2 C8 116.5(4) . . ?
C9 N2 Co2 120.7(3) . 1_565 ?
C8 N2 Co2 122.8(3) . 1_565 ?
N2 C9 C10 124.3(4) . . ?
N2 C9 H6 117.9 . . ?
C10 C9 H6 117.9 . . ?
C6 C10 C9 119.3(4) . . ?
C6 C10 H7 120.4 . . ?
C9 C10 H7 120.4 . . ?
C11 O5 Co1 126.4(2) . . ?
O5 C11 O6 128.5(4) . . ?
O5 C11 C12 115.3(3) . . ?
O6 C11 C12 116.2(3) . . ?
C11 O6 Co2 135.2(3) . . ?
C16 C12 C13 117.6(4) . . ?
C16 C12 C11 121.6(4) . . ?
C13 C12 C11 120.7(3) . . ?
C12 C13 C14 119.3(4) . . ?
C12 C13 H8 120.3 . . ?
C14 C13 H8 120.3 . . ?
N3 C14 C13 123.1(4) . . ?
N3 C14 H9 118.4 . . ?
C13 C14 H9 118.4 . . ?
C15 N3 C14 116.1(4) . . ?
C15 N3 Co1 121.0(3) . 6_565 ?
C14 N3 Co1 122.0(3) . 6_565 ?
N3 C15 C16 124.2(4) . . ?
N3 C15 H10 117.9 . . ?
C16 C15 H10 117.9 . . ?
C12 C16 C15 119.5(4) . . ?
C12 C16 H11 120.2 . . ?
C15 C16 H11 120.2 . . ?
C17 O7 Co2 122.3(2) . . ?
O8 C17 O7 127.5(3) . . ?
O8 C17 C18 115.6(3) . . ?
O7 C17 C18 116.9(3) . . ?
C17 O8 Co1 134.0(2) . . ?
C22 C18 C19 118.7(3) . . ?
C22 C18 C17 120.7(3) . . ?
C19 C18 C17 120.6(3) . . ?
C20 C19 C18 118.3(4) . . ?
C20 C19 H12 120.8 . . ?
C18 C19 H12 120.8 . . ?
N4 C20 C19 123.2(3) . . ?
N4 C20 H13 118.4 . . ?
C19 C20 H13 118.4 . . ?
C21 N4 C20 118.0(3) . . ?
C21 N4 Co1 121.5(3) . 4_646 ?
C20 N4 Co1 120.4(2) . 4_646 ?
N4 C21 C22 123.0(4) . . ?
N4 C21 H14 118.5 . . ?
C22 C21 H14 118.5 . . ?
C21 C22 C18 118.7(4) . . ?
C21 C22 H15 120.7 . . ?
C18 C22 H15 120.7 . . ?
C23 O9 Co2 121.4(4) . . ?
C23 N5 C25 115.7(8) . . ?
C23 N5 C24 112.7(8) . . ?
C25 N5 C24 131.0(8) . . ?
O9 C23 N5 124.8(8) . . ?
O9 C23 H16 117.6 . . ?
N5 C23 H16 117.6 . . ?
N5 C24 H17 109.5 . . ?
N5 C24 H18 109.5 . . ?
H17 C24 H18 109.5 . . ?
N5 C24 H19 109.5 . . ?
H17 C24 H19 109.5 . . ?
H18 C24 H19 109.5 . . ?
N5 C25 H20 109.5 . . ?
N5 C25 H21 109.5 . . ?
H20 C25 H21 109.5 . . ?
N5 C25 H22 109.5 . . ?
H20 C25 H22 109.5 . . ?
H21 C25 H22 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.063(2) . ?
Co1 O3 2.092(3) . ?
Co1 O5 2.097(3) . ?
Co1 O8 2.100(2) . ?
Co1 N4 2.162(3) 4_656 ?
Co1 N3 2.168(3) 6_566 ?
Co2 O7 2.062(2) . ?
Co2 O2 2.071(3) . ?
Co2 O1 2.088(3) . ?
Co2 O6 2.127(3) . ?
Co2 O9 2.133(3) . ?
Co2 N2 2.136(3) 1_545 ?
O1 N1 1.386(4) . ?
N1 C1 1.308(5) . ?
N1 H1 0.8800 . ?
C1 O2 1.258(4) . ?
C1 C2 1.502(5) . ?
C2 C4 1.386(5) 5_666 ?
C2 C3 1.390(6) . ?
C3 C4 1.389(6) . ?
C3 H2 0.9500 . ?
C4 H3 0.9500 . ?
O3 C5 1.243(5) . ?
C5 O4 1.239(5) . ?
C5 C6 1.522(5) . ?
C6 C10 1.359(6) . ?
C6 C7 1.383(6) . ?
C7 C8 1.384(6) . ?
C7 H4 0.9500 . ?
C8 N2 1.338(6) . ?
C8 H5 0.9500 . ?
N2 C9 1.324(5) . ?
C9 C10 1.376(6) . ?
C9 H6 0.9500 . ?
C10 H7 0.9500 . ?
O5 C11 1.256(4) . ?
C11 O6 1.257(5) . ?
C11 C12 1.520(5) . ?
C12 C16 1.375(6) . ?
C12 C13 1.378(6) . ?
C13 C14 1.378(6) . ?
C13 H8 0.9500 . ?
C14 N3 1.357(5) . ?
C14 H9 0.9500 . ?
N3 C15 1.320(5) . ?
C15 C16 1.375(6) . ?
C15 H10 0.9500 . ?
C16 H11 0.9500 . ?
O7 C17 1.251(5) . ?
C17 O8 1.249(5) . ?
C17 C18 1.519(5) . ?
C18 C22 1.383(6) . ?
C18 C19 1.389(5) . ?
C19 C20 1.378(5) . ?
C19 H12 0.9500 . ?
C20 N4 1.334(5) . ?
C20 H13 0.9500 . ?
N4 C21 1.329(5) . ?
C21 C22 1.380(6) . ?
C21 H14 0.9500 . ?
C22 H15 0.9500 . ?
O9 C23 1.246(10) . ?
N5 C23 1.345(10) . ?
N5 C25 1.502(11) . ?
N5 C24 1.512(10) . ?
C23 H16 0.9500 . ?
C24 H17 0.9800 . ?
C24 H18 0.9800 . ?
C24 H19 0.9800 . ?
C25 H20 0.9800 . ?
C25 H21 0.9800 . ?
C25 H22 0.9800 . ?
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
_geom_torsion_publ_flag
Co1 O1 N1 C1 141.0(3) . . . . ?
Co2 O1 N1 C1 18.4(4) . . . . ?
O1 N1 C1 O2 -2.9(6) . . . . ?
O1 N1 C1 C2 178.4(3) . . . . ?
N1 C1 O2 Co2 -14.9(5) . . . . ?
C2 C1 O2 Co2 163.8(3) . . . . ?
O2 C1 C2 C4 151.9(4) . . . 5_666 ?
N1 C1 C2 C4 -29.3(6) . . . 5_666 ?
O2 C1 C2 C3 -28.1(6) . . . . ?
N1 C1 C2 C3 150.7(4) . . . . ?
C4 C2 C3 C4 1.3(7) 5_666 . . . ?
C1 C2 C3 C4 -178.8(4) . . . . ?
C2 C3 C4 C2 -1.3(7) . . . 5_666 ?
Co1 O3 C5 O4 16.3(8) . . . . ?
Co1 O3 C5 C6 -163.2(3) . . . . ?
O4 C5 C6 C10 165.8(5) . . . . ?
O3 C5 C6 C10 -14.7(7) . . . . ?
O4 C5 C6 C7 -17.4(7) . . . . ?
O3 C5 C6 C7 162.2(5) . . . . ?
C10 C6 C7 C8 -2.9(8) . . . . ?
C5 C6 C7 C8 -179.9(5) . . . . ?
C6 C7 C8 N2 -1.1(9) . . . . ?
C7 C8 N2 C9 4.4(8) . . . . ?
C7 C8 N2 Co2 -174.4(5) . . . 1_565 ?
C8 N2 C9 C10 -3.8(9) . . . . ?
Co2 N2 C9 C10 175.0(5) 1_565 . . . ?
C7 C6 C10 C9 3.5(8) . . . . ?
C5 C6 C10 C9 -179.5(5) . . . . ?
N2 C9 C10 C6 -0.1(10) . . . . ?
Co1 O5 C11 O6 7.8(6) . . . . ?
Co1 O5 C11 C12 -171.9(2) . . . . ?
O5 C11 O6 Co2 13.6(6) . . . . ?
C12 C11 O6 Co2 -166.7(2) . . . . ?
O5 C11 C12 C16 -143.5(4) . . . . ?
O6 C11 C12 C16 36.8(5) . . . . ?
O5 C11 C12 C13 34.5(5) . . . . ?
O6 C11 C12 C13 -145.3(4) . . . . ?
C16 C12 C13 C14 -2.2(7) . . . . ?
C11 C12 C13 C14 179.7(4) . . . . ?
C12 C13 C14 N3 3.9(8) . . . . ?
C13 C14 N3 C15 -3.1(7) . . . . ?
C13 C14 N3 Co1 166.3(4) . . . 6_565 ?
C14 N3 C15 C16 0.8(7) . . . . ?
Co1 N3 C15 C16 -168.7(4) 6_565 . . . ?
C13 C12 C16 C15 0.1(7) . . . . ?
C11 C12 C16 C15 178.1(4) . . . . ?
N3 C15 C16 C12 0.6(8) . . . . ?
Co2 O7 C17 O8 39.7(5) . . . . ?
Co2 O7 C17 C18 -141.1(3) . . . . ?
O7 C17 O8 Co1 -5.2(6) . . . . ?
C18 C17 O8 Co1 175.6(2) . . . . ?
O8 C17 C18 C22 -26.7(5) . . . . ?
O7 C17 C18 C22 154.0(4) . . . . ?
O8 C17 C18 C19 153.4(4) . . . . ?
O7 C17 C18 C19 -25.9(5) . . . . ?
C22 C18 C19 C20 1.0(6) . . . . ?
C17 C18 C19 C20 -179.0(3) . . . . ?
C18 C19 C20 N4 -2.4(6) . . . . ?
C19 C20 N4 C21 1.3(6) . . . . ?
C19 C20 N4 Co1 -175.6(3) . . . 4_646 ?
C20 N4 C21 C22 1.2(6) . . . . ?
Co1 N4 C21 C22 178.0(3) 4_646 . . . ?
N4 C21 C22 C18 -2.5(7) . . . . ?
C19 C18 C22 C21 1.2(6) . . . . ?
C17 C18 C22 C21 -178.7(4) . . . . ?
Co2 O9 C23 N5 165.6(6) . . . . ?
C25 N5 C23 O9 -9.8(13) . . . . ?
C24 N5 C23 O9 177.5(7) . . . . ?
