#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:43:11 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/99/7059994.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_7059994
loop_
_publ_author_name
'Zhou, Chuan-Cong'
'Yan, Hui'
'Liu, Hou-Ting'
'Li, Rong-Yun'
'Lu, Jing'
'Wang, Su-Na'
'Li, Yun-Wu'
_publ_section_title
;
 Proton conductivity studies on five isostructural MOFs with different
 acidity induced by metal cations
;
_journal_issue                   41
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17821
_journal_page_last               17830
_journal_paper_doi               10.1039/D0NJ04179C
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C25 H20 Co1.5 N5 O8'
_chemical_formula_weight         606.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-12 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.131(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.0379(9)
_cell_length_b                   13.8407(7)
_cell_length_c                   26.5035(10)
_cell_measurement_reflns_used    2771
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.3430
_cell_measurement_theta_min      3.1530
_cell_volume                     5412.5(5)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            10102
_diffrn_reflns_point_group_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        67.233
_diffrn_reflns_theta_max         67.233
_diffrn_reflns_theta_min         3.399
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.783
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_description       block
_exptl_crystal_F_000             2476
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         4631
_refine_ls_number_restraints     882
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0603
_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)+(0.1038P)²+7.8479P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1634
_refine_ls_wR_factor_ref         0.1749
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3732
_reflns_number_total             4631
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04179c2.cif
_cod_data_source_block           exp_9961
_cod_depositor_comments
'Adding full bibliography for 7059993--7059997.cif.'
_cod_original_cell_volume        5412.6(5)
_cod_original_sg_symbol_H-M      I2/c
_cod_original_formula_sum        'C25 H20 Co1.50 N5 O8'
_cod_database_code               7059994
_shelx_shelxl_version_number     2018/3
_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   0.455
_shelx_estimated_absorpt_t_max   0.481
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+1/2, 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_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 0.500000 0.500000 0.500000 0.0271(2) Uani 1 2 d S U P . .
Co2 Co 0.55215(5) 0.37188(5) 0.89836(2) 0.0308(2) Uani 1 1 d . U . . .
N1 N 0.6263(3) 0.3225(3) 0.84406(14) 0.0436(9) Uani 1 1 d . U . . .
N2 N 0.4001(6) 0.1265(5) 0.9189(4) 0.116(3) Uani 1 1 d . U . . .
N3 N 0.7873(3) 0.6245(3) 0.77872(15) 0.0479(10) Uani 1 1 d . U . . .
N4 N 0.8883(4) 0.7126(5) 0.7498(2) 0.0767(15) Uani 1 1 d . U . . .
N5 N 0.8927(4) 0.7355(4) 0.80046(19) 0.0716(14) Uani 1 1 d . U . . .
O1 O 0.9357(2) 0.8720(2) 0.97987(12) 0.0436(8) Uani 1 1 d . U . . .
O2 O 0.8659(3) 0.8111(3) 1.03920(12) 0.0528(9) Uani 1 1 d . U . . .
O3 O 0.6139(2) 0.5637(2) 0.97671(12) 0.0416(7) Uani 1 1 d . U . . .
O4 O 0.6156(3) 0.5011(3) 0.89971(13) 0.0495(9) Uani 1 1 d . U . . .
O5 O 0.5589(2) 0.4386(3) 0.65451(12) 0.0452(8) Uani 1 1 d . U . . .
O6 O 0.5577(2) 0.4386(2) 0.57250(10) 0.0354(7) Uani 1 1 d . U . . .
O7 O 0.4786(3) 0.2424(3) 0.88942(19) 0.0710(12) Uani 1 1 d . U . . .
O8 O 0.9674(5) 0.8624(6) 0.6868(3) 0.158(3) Uani 1 1 d . U . . .
H8A H 0.933139 0.903826 0.669046 0.190 Uiso 1 1 d R U . . .
H8B H 1.021660 0.857066 0.682406 0.190 Uiso 1 1 d R U . . .
C1 C 0.8315(3) 0.7480(3) 0.95486(18) 0.0431(11) Uani 1 1 d . U . . .
C2 C 0.7618(4) 0.6885(4) 0.96494(18) 0.0435(10) Uani 1 1 d . U . . .
H2 H 0.745801 0.689889 0.997106 0.052 Uiso 1 1 calc R U . . .
C3 C 0.7165(3) 0.6274(3) 0.92688(18) 0.0397(10) Uani 1 1 d . U . . .
C4 C 0.7407(4) 0.6273(3) 0.87856(18) 0.0430(10) Uani 1 1 d . U . . .
H4 H 0.709689 0.587397 0.852827 0.052 Uiso 1 1 calc R U . . .
C5 C 0.8097(4) 0.6853(4) 0.86828(18) 0.0438(11) Uani 1 1 d . U . . .
C6 C 0.8553(3) 0.7457(3) 0.90644(17) 0.0417(10) Uani 1 1 d . U . . .
H6 H 0.901969 0.784861 0.899781 0.050 Uiso 1 1 calc R U . . .
C7 C 0.8819(3) 0.8158(3) 0.99480(17) 0.0407(10) Uani 1 1 d . U . . .
C8 C 0.6422(3) 0.5596(3) 0.93614(16) 0.0362(9) Uani 1 1 d . U . . .
C9 C 0.8319(4) 0.6812(4) 0.81653(19) 0.0457(11) Uani 1 1 d . U . . .
C10 C 0.8257(4) 0.6446(4) 0.73872(19) 0.0499(12) Uani 1 1 d . U . . .
C11 C 0.7978(4) 0.5997(4) 0.68771(19) 0.0483(11) Uani 1 1 d . U . . .
C12 C 0.7155(3) 0.5529(4) 0.67641(17) 0.0420(10) Uani 1 1 d . U . . .
H12 H 0.679702 0.548371 0.701291 0.050 Uiso 1 1 calc R U . . .
C13 C 0.6852(3) 0.5120(3) 0.62793(17) 0.0384(10) Uani 1 1 d . U . . .
C14 C 0.5952(3) 0.4615(3) 0.61795(16) 0.0350(9) Uani 1 1 d . U . . .
C15 C 0.7388(4) 0.5166(4) 0.5917(2) 0.0524(13) Uani 1 1 d . U . . .
H15 H 0.719375 0.487938 0.559671 0.063 Uiso 1 1 calc R U . . .
C16 C 0.8208(4) 0.5631(5) 0.6022(2) 0.0649(15) Uani 1 1 d . U . . .
H16 H 0.856603 0.566311 0.577319 0.078 Uiso 1 1 calc R U . . .
C17 C 0.8508(4) 0.6059(5) 0.6507(2) 0.0619(14) Uani 1 1 d . U . . .
H17 H 0.906067 0.638169 0.657794 0.074 Uiso 1 1 calc R U . . .
C18 C 0.6204(5) 0.3671(5) 0.8004(2) 0.0751(18) Uani 1 1 d . U . . .
H18 H 0.582328 0.420586 0.794468 0.090 Uiso 1 1 calc R U . . .
C19 C 0.6658(5) 0.3414(6) 0.7629(2) 0.0803(19) Uani 1 1 d . U . . .
H19 H 0.657663 0.376413 0.732374 0.096 Uiso 1 1 calc R U . . .
C20 C 0.7226(4) 0.2651(4) 0.76966(18) 0.0497(12) Uani 1 1 d . U . . .
C21 C 0.7349(6) 0.2225(6) 0.8167(2) 0.087(2) Uani 1 1 d . U . . .
H21 H 0.777196 0.173075 0.824934 0.105 Uiso 1 1 calc R U . . .
C22 C 0.6850(5) 0.2522(5) 0.8522(2) 0.0805(19) Uani 1 1 d . U . . .
H22 H 0.693505 0.220488 0.883646 0.097 Uiso 1 1 calc R U . . .
C23 C 0.4382(6) 0.2131(5) 0.9210(4) 0.089(2) Uani 1 1 d . U . . .
H23 H 0.433248 0.253217 0.948496 0.107 Uiso 1 1 calc R U . . .
C24 C 0.4048(10) 0.0662(8) 0.8728(6) 0.174(5) Uani 1 1 d . U . . .
H24A H 0.431350 0.103262 0.848863 0.261 Uiso 1 1 calc R U . . .
H24B H 0.344784 0.046530 0.856654 0.261 Uiso 1 1 calc R U . . .
H24C H 0.441242 0.010043 0.883090 0.261 Uiso 1 1 calc R U . . .
C25 C 0.3502(9) 0.0960(10) 0.9591(6) 0.174(5) Uani 1 1 d . U . . .
H25A H 0.358933 0.142872 0.986285 0.261 Uiso 1 1 calc R U . . .
H25B H 0.372400 0.034352 0.972568 0.261 Uiso 1 1 calc R U . . .
H25C H 0.286752 0.090990 0.944471 0.261 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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 O1 180.0 7_666 3_444 ?
O1 Co1 O3 93.94(14) 7_666 6_565 ?
O1 Co1 O3 86.06(14) 3_444 6_565 ?
O1 Co1 O3 86.06(14) 7_666 2_656 ?
O1 Co1 O3 93.94(14) 3_444 2_656 ?
O3 Co1 O3 180.00(15) 6_565 2_656 ?
O1 Co1 O6 88.80(12) 7_666 5_666 ?
O1 Co1 O6 91.20(12) 3_444 5_666 ?
O3 Co1 O6 96.60(12) 6_565 5_666 ?
O3 Co1 O6 83.40(12) 2_656 5_666 ?
O1 Co1 O6 91.20(12) 7_666 . ?
O1 Co1 O6 88.80(12) 3_444 . ?
O3 Co1 O6 83.40(12) 6_565 . ?
O3 Co1 O6 96.60(12) 2_656 . ?
O6 Co1 O6 180.00(16) 5_666 . ?
O4 Co2 O2 98.10(17) . 4_646 ?
O4 Co2 O7 173.99(18) . . ?
O2 Co2 O7 87.82(19) 4_646 . ?
O4 Co2 N1 89.34(16) . . ?
O2 Co2 N1 95.99(15) 4_646 . ?
O7 Co2 N1 89.01(18) . . ?
O4 Co2 O6 90.39(14) . 2_656 ?
O2 Co2 O6 105.62(12) 4_646 2_656 ?
O7 Co2 O6 89.00(16) . 2_656 ?
N1 Co2 O6 158.20(13) . 2_656 ?
O4 Co2 O5 86.37(16) . 2_656 ?
O2 Co2 O5 165.29(14) 4_646 2_656 ?
O7 Co2 O5 88.14(17) . 2_656 ?
N1 Co2 O5 98.08(14) . 2_656 ?
O6 Co2 O5 60.16(11) 2_656 2_656 ?
O4 Co2 C14 87.93(15) . 2_656 ?
O2 Co2 C14 135.97(14) 4_646 2_656 ?
O7 Co2 C14 88.51(17) . 2_656 ?
N1 Co2 C14 127.80(15) . 2_656 ?
O6 Co2 C14 30.43(12) 2_656 2_656 ?
O5 Co2 C14 29.73(13) 2_656 2_656 ?
C18 N1 C22 115.4(5) . . ?
C18 N1 Co2 120.1(4) . . ?
C22 N1 Co2 124.3(3) . . ?
C23 N2 C25 120.2(10) . . ?
C23 N2 C24 116.8(9) . . ?
C25 N2 C24 122.8(9) . . ?
C10 N3 C9 104.0(4) . . ?
C10 N4 N5 106.3(5) . . ?
C9 N5 N4 106.3(4) . . ?
C7 O1 Co1 140.0(3) . 3 ?
C7 O2 Co2 123.1(3) . 4_656 ?
C8 O3 Co1 132.0(3) . 2_656 ?
C8 O4 Co2 131.1(3) . . ?
C14 O5 Co2 90.2(3) . 2_656 ?
C14 O6 Co1 141.9(3) . . ?
C14 O6 Co2 89.8(3) . 2_656 ?
Co1 O6 Co2 106.65(13) . 2_656 ?
C23 O7 Co2 122.6(5) . . ?
C2 C1 C6 119.8(4) . . ?
C2 C1 C7 121.8(4) . . ?
C6 C1 C7 118.4(4) . . ?
C3 C2 C1 120.0(4) . . ?
C2 C3 C4 119.2(4) . . ?
C2 C3 C8 122.2(4) . . ?
C4 C3 C8 118.6(4) . . ?
C5 C4 C3 121.3(4) . . ?
C4 C5 C6 119.4(4) . . ?
C4 C5 C9 118.4(4) . . ?
C6 C5 C9 122.2(4) . . ?
C5 C6 C1 120.3(4) . . ?
O1 C7 O2 126.2(4) . . ?
O1 C7 C1 115.9(4) . . ?
O2 C7 C1 117.9(4) . . ?
O3 C8 O4 125.8(4) . . ?
O3 C8 C3 120.2(4) . . ?
O4 C8 C3 114.0(4) . . ?
N5 C9 N3 111.7(4) . . ?
N5 C9 C5 125.1(4) . . ?
N3 C9 C5 123.1(4) . . ?
N4 C10 N3 111.8(4) . . ?
N4 C10 C11 124.7(5) . . ?
N3 C10 C11 123.5(5) . . ?
C12 C11 C17 119.5(5) . . ?
C12 C11 C10 118.9(5) . . ?
C17 C11 C10 121.6(5) . . ?
C11 C12 C13 120.6(5) . . ?
C15 C13 C12 119.8(5) . . ?
C15 C13 C14 122.0(4) . . ?
C12 C13 C14 118.2(4) . . ?
O5 C14 O6 119.8(4) . . ?
O5 C14 C13 119.9(4) . . ?
O6 C14 C13 120.3(4) . . ?
O5 C14 Co2 60.1(2) . 2_656 ?
O6 C14 Co2 59.7(2) . 2_656 ?
C13 C14 Co2 178.1(3) . 2_656 ?
C13 C15 C16 120.4(5) . . ?
C15 C16 C17 120.1(5) . . ?
C11 C17 C16 119.6(6) . . ?
N1 C18 C19 124.7(6) . . ?
C20 C19 C18 120.2(5) . . ?
C19 C20 C21 115.7(5) . . ?
C19 C20 C20 122.8(6) . 7_656 ?
C21 C20 C20 121.2(6) . 7_656 ?
C20 C21 C22 120.1(5) . . ?
N1 C22 C21 123.6(5) . . ?
O7 C23 N2 123.4(9) . . ?
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 2.040(3) 7_666 ?
Co1 O1 2.040(3) 3_444 ?
Co1 O3 2.121(3) 6_565 ?
Co1 O3 2.121(3) 2_656 ?
Co1 O6 2.127(3) 5_666 ?
Co1 O6 2.127(3) . ?
Co2 O4 2.025(3) . ?
Co2 O2 2.043(3) 4_646 ?
Co2 O7 2.095(4) . ?
Co2 N1 2.098(4) . ?
Co2 O6 2.161(3) 2_656 ?
Co2 O5 2.169(3) 2_656 ?
Co2 C14 2.502(5) 2_656 ?
N1 C18 1.298(7) . ?
N1 C22 1.303(7) . ?
N2 C23 1.326(10) . ?
N2 C25 1.477(13) . ?
N2 C24 1.493(14) . ?
N3 C10 1.331(7) . ?
N3 C9 1.345(6) . ?
N4 C10 1.324(7) . ?
N4 N5 1.368(6) . ?
N5 C9 1.317(7) . ?
O1 C7 1.240(6) . ?
O2 C7 1.247(6) . ?
O3 C8 1.232(6) . ?
O4 C8 1.264(5) . ?
O5 C14 1.241(6) . ?
O6 C14 1.268(5) . ?
O7 C23 1.197(9) . ?
C1 C2 1.397(7) . ?
C1 C6 1.398(6) . ?
C1 C7 1.506(6) . ?
C2 C3 1.390(6) . ?
C3 C4 1.397(7) . ?
C3 C8 1.516(6) . ?
C4 C5 1.380(7) . ?
C5 C6 1.387(6) . ?
C5 C9 1.474(6) . ?
C10 C11 1.474(7) . ?
C11 C12 1.378(7) . ?
C11 C17 1.381(7) . ?
C12 C13 1.397(6) . ?
C13 C15 1.369(7) . ?
C13 C14 1.502(7) . ?
C15 C16 1.371(8) . ?
C16 C17 1.409(8) . ?
C18 C19 1.360(8) . ?
C19 C20 1.348(8) . ?
C20 C21 1.360(7) . ?
C20 C20 1.506(9) 7_656 ?
C21 C22 1.375(8) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O8 H8A O4 0.85 2.25 3.047(7) 155.6 7_666 yes
O8 H8B N5 0.85 2.11 2.711(8) 126.9 2_756 yes
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
C10 N4 N5 C9 -0.9(8) . . . . ?
C6 C1 C2 C3 0.0(8) . . . . ?
C7 C1 C2 C3 179.6(5) . . . . ?
C1 C2 C3 C4 -0.9(8) . . . . ?
C1 C2 C3 C8 178.4(5) . . . . ?
C2 C3 C4 C5 1.3(8) . . . . ?
C8 C3 C4 C5 -178.0(5) . . . . ?
C3 C4 C5 C6 -0.8(8) . . . . ?
C3 C4 C5 C9 179.7(5) . . . . ?
C4 C5 C6 C1 -0.1(8) . . . . ?
C9 C5 C6 C1 179.4(5) . . . . ?
C2 C1 C6 C5 0.5(8) . . . . ?
C7 C1 C6 C5 -179.1(5) . . . . ?
Co1 O1 C7 O2 -20.6(9) 3 . . . ?
Co1 O1 C7 C1 159.0(4) 3 . . . ?
Co2 O2 C7 O1 -15.9(8) 4_656 . . . ?
Co2 O2 C7 C1 164.5(3) 4_656 . . . ?
C2 C1 C7 O1 -172.8(5) . . . . ?
C6 C1 C7 O1 6.7(7) . . . . ?
C2 C1 C7 O2 6.8(8) . . . . ?
C6 C1 C7 O2 -173.6(5) . . . . ?
Co1 O3 C8 O4 -12.1(8) 2_656 . . . ?
Co1 O3 C8 C3 168.9(3) 2_656 . . . ?
Co2 O4 C8 O3 -21.3(8) . . . . ?
Co2 O4 C8 C3 157.7(3) . . . . ?
C2 C3 C8 O3 7.0(7) . . . . ?
C4 C3 C8 O3 -173.7(5) . . . . ?
C2 C3 C8 O4 -172.1(5) . . . . ?
C4 C3 C8 O4 7.2(7) . . . . ?
N4 N5 C9 N3 -0.6(8) . . . . ?
N4 N5 C9 C5 -176.7(6) . . . . ?
C10 N3 C9 N5 1.8(7) . . . . ?
C10 N3 C9 C5 178.0(5) . . . . ?
C4 C5 C9 N5 176.5(6) . . . . ?
C6 C5 C9 N5 -3.0(9) . . . . ?
C4 C5 C9 N3 0.9(8) . . . . ?
C6 C5 C9 N3 -178.7(5) . . . . ?
N5 N4 C10 N3 2.1(8) . . . . ?
N5 N4 C10 C11 178.9(6) . . . . ?
C9 N3 C10 N4 -2.4(7) . . . . ?
C9 N3 C10 C11 -179.3(6) . . . . ?
N4 C10 C11 C12 -160.4(6) . . . . ?
N3 C10 C11 C12 16.1(9) . . . . ?
N4 C10 C11 C17 17.8(10) . . . . ?
N3 C10 C11 C17 -165.8(6) . . . . ?
C17 C11 C12 C13 -0.2(9) . . . . ?
C10 C11 C12 C13 178.0(5) . . . . ?
C11 C12 C13 C15 1.6(8) . . . . ?
C11 C12 C13 C14 179.7(5) . . . . ?
Co2 O5 C14 O6 -0.6(4) 2_656 . . . ?
Co2 O5 C14 C13 -177.8(4) 2_656 . . . ?
Co1 O6 C14 O5 118.1(5) . . . . ?
Co2 O6 C14 O5 0.6(4) 2_656 . . . ?
Co1 O6 C14 C13 -64.8(6) . . . . ?
Co2 O6 C14 C13 177.8(4) 2_656 . . . ?
Co1 O6 C14 Co2 117.5(5) . . . 2_656 ?
C15 C13 C14 O5 162.8(5) . . . . ?
C12 C13 C14 O5 -15.3(7) . . . . ?
C15 C13 C14 O6 -14.4(7) . . . . ?
C12 C13 C14 O6 167.5(4) . . . . ?
C12 C13 C15 C16 -1.7(9) . . . . ?
C14 C13 C15 C16 -179.7(5) . . . . ?
C13 C15 C16 C17 0.5(10) . . . . ?
C12 C11 C17 C16 -0.9(10) . . . . ?
C10 C11 C17 C16 -179.1(6) . . . . ?
C15 C16 C17 C11 0.8(11) . . . . ?
C22 N1 C18 C19 4.5(12) . . . . ?
Co2 N1 C18 C19 179.7(7) . . . . ?
N1 C18 C19 C20 -0.7(14) . . . . ?
C18 C19 C20 C21 -4.3(12) . . . . ?
C18 C19 C20 C20 -177.8(8) . . . 7_656 ?
C19 C20 C21 C22 5.5(13) . . . . ?
C20 C20 C21 C22 179.1(8) 7_656 . . . ?
C18 N1 C22 C21 -3.1(12) . . . . ?
Co2 N1 C22 C21 -178.1(7) . . . . ?
C20 C21 C22 N1 -1.9(15) . . . . ?
Co2 O7 C23 N2 -172.0(7) . . . . ?
C25 N2 C23 O7 -179.2(10) . . . . ?
C24 N2 C23 O7 -3.4(15) . . . . ?
