#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:00:43 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257477 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/99/7239972.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_7239972
loop_
_publ_author_name
'Wu, Yuewei'
'Xi, Jing'
'Yang, Jinhui'
'Song, Weiming'
'Luo, Shuchang'
'Wang, Zheng'
'Liu, Xiangyu'
_publ_section_title
;
 Coligand effects on the architectures and magnetic properties of
 octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2297
_journal_page_last               2303
_journal_paper_doi               10.1039/C9CE01871A
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         'C24 H20 Co N18, H2 O'
_chemical_formula_sum            'C24 H22 Co N18 O'
_chemical_formula_weight         637.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2018-01-02
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2019-11-04 deposited with the CCDC.	2020-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.327(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1218(7)
_cell_length_b                   14.2515(7)
_cell_length_c                   14.6292(8)
_cell_measurement_reflns_used    4005
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.1100
_cell_measurement_theta_min      2.7560
_cell_volume                     2672.7(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.856
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00  62.00   1.00   18.00    --  -11.59  57.00-120.00  102
  2  ω     -5.00  85.00   1.00   18.00    --   11.74  77.00 120.00   90
  3  ω    -20.00   5.00   1.00   18.00    --  -11.59 -99.00 -30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0151246000
_diffrn_orient_matrix_UB_12      -0.0416294000
_diffrn_orient_matrix_UB_13      0.0259303000
_diffrn_orient_matrix_UB_21      -0.0465978000
_diffrn_orient_matrix_UB_22      -0.0222781000
_diffrn_orient_matrix_UB_23      -0.0235838000
_diffrn_orient_matrix_UB_31      0.0257222000
_diffrn_orient_matrix_UB_32      -0.0157733000
_diffrn_orient_matrix_UB_33      -0.0351261000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.856
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15181
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.527
_diffrn_reflns_theta_min         2.018
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.701
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.669
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6389
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0595
_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)+(0.0480P)²+2.1040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1223
_refine_ls_wR_factor_ref         0.1386
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4557
_reflns_number_total             6389
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01871a9.cif
_cod_data_source_block           pre_xh_9
_cod_depositor_comments
;Adding full bibliography for 7239971--7239972.cif.

 Adding full bibliography for 7239971--7239972.cif.
;
_cod_database_code               7239972
_shelx_shelxl_version_number     2017/1
_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_max   0.927
_shelx_estimated_absorpt_t_min   0.914
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid bond restraints
 N13, N14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
N13 \\sim N14: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004
4.a Free rotating group:
 O1(H1A,H1B)
4.b Rotating group:
 N3(H3A,H3B), N11(H11A,H11B)
4.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C14(H14), C10(H10), C9(H9), C3(H3), C6(H6),
 C21(H21), C5(H5), C22(H22), C16(H16), C4(H4), C15(H15), C23(H23), C24(H24)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.282
_oxdiff_exptl_absorpt_empirical_full_min 0.837
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Co01 Co 0.48868(3) 0.54554(3) 0.71793(3) 0.01901(13) Uani 1 1 d . . . . .
N6 N 0.42821(19) 0.62840(18) 0.59683(17) 0.0194(6) Uani 1 1 d . . . . .
N5 N 0.51627(19) 0.68296(18) 0.76816(17) 0.0201(6) Uani 1 1 d . . . . .
N8 N 0.45215(19) 0.40882(18) 0.66988(18) 0.0211(6) Uani 1 1 d . . . . .
N7 N 0.54649(19) 0.46180(19) 0.83964(18) 0.0231(6) Uani 1 1 d . . . . .
N2 N 0.49313(19) 0.83332(17) 0.74878(18) 0.0203(6) Uani 1 1 d . . . . .
N4 N 0.56152(19) 0.72501(18) 0.85110(18) 0.0219(6) Uani 1 1 d . . . . .
N10 N 0.46888(19) 0.25798(18) 0.6910(2) 0.0250(6) Uani 1 1 d . . . . .
N17 N 0.7097(2) 0.58622(19) 0.72029(18) 0.0222(6) Uani 1 1 d . . . . .
N1 N 0.6042(2) 0.97272(19) 0.87784(19) 0.0263(6) Uani 1 1 d . . . . .
N16 N 0.6392(2) 0.53609(18) 0.68740(19) 0.0240(6) Uani 1 1 d . . . . .
N3 N 0.4627(2) 0.92124(19) 0.7070(2) 0.0288(6) Uani 1 1 d . . . . .
H3A H 0.469597 0.920377 0.649568 0.035 Uiso 1 1 d GR . . . .
H3B H 0.398129 0.932024 0.707968 0.035 Uiso 1 1 d GR . . . .
N13 N 0.3407(2) 0.55437(19) 0.75729(19) 0.0242(5) Uani 1 1 d . U . . .
N9 N 0.4081(2) 0.36690(18) 0.58697(19) 0.0235(6) Uani 1 1 d . . . . .
N12 N 0.4008(2) 0.11543(19) 0.5477(2) 0.0356(7) Uani 1 1 d . . . . .
N14 N 0.3002(2) 0.6282(2) 0.76892(19) 0.0274(6) Uani 1 1 d . U . . .
O1 O 0.2555(2) 0.38610(19) 0.8076(2) 0.0522(8) Uani 1 1 d . . . . .
H1A H 0.252842 0.339586 0.770814 0.078 Uiso 1 1 d G . . . .
H1B H 0.282688 0.432751 0.785523 0.078 Uiso 1 1 d G . . . .
N11 N 0.4946(2) 0.1699(2) 0.7347(2) 0.0361(8) Uani 1 1 d . . . . .
H11A H 0.472815 0.167813 0.786191 0.043 Uiso 1 1 d GR . . . .
H11B H 0.464587 0.126302 0.697824 0.043 Uiso 1 1 d GR . . . .
N18 N 0.7805(2) 0.6349(2) 0.7516(2) 0.0334(7) Uani 1 1 d . . . . .
C7 C 0.4755(2) 0.7479(2) 0.7074(2) 0.0199(7) Uani 1 1 d . . . . .
N15 N 0.2598(2) 0.6997(2) 0.7809(2) 0.0387(8) Uani 1 1 d . . . . .
C2 C 0.5846(2) 0.8874(2) 0.9096(2) 0.0228(7) Uani 1 1 d . . . . .
C19 C 0.4193(2) 0.2756(2) 0.6001(2) 0.0232(7) Uani 1 1 d . . . . .
C8 C 0.4223(2) 0.7220(2) 0.6114(2) 0.0200(7) Uani 1 1 d . . . . .
C1 C 0.5460(2) 0.8159(2) 0.8382(2) 0.0218(7) Uani 1 1 d . . . . .
C11 C 0.3412(2) 0.6531(2) 0.4378(2) 0.0231(7) Uani 1 1 d . . . . .
H11 H 0.316042 0.628344 0.378500 0.028 Uiso 1 1 calc R . . . .
C18 C 0.4873(2) 0.3426(2) 0.7321(2) 0.0202(7) Uani 1 1 d . . . . .
C12 C 0.3883(2) 0.5957(2) 0.5110(2) 0.0216(7) Uani 1 1 d . . . . .
H12 H 0.392383 0.531639 0.500061 0.026 Uiso 1 1 calc R . . . .
C13 C 0.5904(2) 0.4946(3) 0.9246(2) 0.0286(8) Uani 1 1 d . . . . .
H13 H 0.599001 0.559044 0.932577 0.034 Uiso 1 1 calc R . . . .
C14 C 0.6237(3) 0.4364(3) 1.0013(2) 0.0343(9) Uani 1 1 d . . . . .
H14 H 0.654738 0.461336 1.059310 0.041 Uiso 1 1 calc R . . . .
C10 C 0.3322(2) 0.7476(2) 0.4543(2) 0.0268(7) Uani 1 1 d . . . . .
H10 H 0.299049 0.787213 0.406697 0.032 Uiso 1 1 calc R . . . .
C17 C 0.5358(2) 0.3679(2) 0.8285(2) 0.0237(7) Uani 1 1 d . . . . .
C9 C 0.3733(3) 0.7829(2) 0.5431(2) 0.0270(7) Uani 1 1 d . . . . .
H9 H 0.367790 0.846378 0.556030 0.032 Uiso 1 1 calc R . . . .
C20 C 0.3856(2) 0.2069(2) 0.5252(3) 0.0255(7) Uani 1 1 d . . . . .
C3 C 0.6003(2) 0.8647(2) 1.0035(2) 0.0287(8) Uani 1 1 d . . . . .
H3 H 0.585862 0.804697 1.022361 0.034 Uiso 1 1 calc R . . . .
C6 C 0.6428(3) 1.0370(2) 0.9422(2) 0.0285(8) Uani 1 1 d . . . . .
H6 H 0.658772 1.095981 0.921904 0.034 Uiso 1 1 calc R . . . .
C21 C 0.3430(2) 0.2374(2) 0.4359(2) 0.0276(8) Uani 1 1 d . . . . .
H21 H 0.332947 0.301094 0.423382 0.033 Uiso 1 1 calc R . . . .
C5 C 0.6605(3) 1.0207(3) 1.0379(3) 0.0329(8) Uani 1 1 d . . . . .
H5 H 0.687050 1.067764 1.080421 0.039 Uiso 1 1 calc R . . . .
C22 C 0.3152(3) 0.1720(3) 0.3649(3) 0.0339(8) Uani 1 1 d . . . . .
H22 H 0.285735 0.190603 0.304073 0.041 Uiso 1 1 calc R . . . .
C16 C 0.5662(2) 0.3053(3) 0.9022(2) 0.0319(8) Uani 1 1 d . . . . .
H16 H 0.557203 0.241022 0.892924 0.038 Uiso 1 1 calc R . . . .
C4 C 0.6377(2) 0.9333(3) 1.0683(2) 0.0306(8) Uani 1 1 d . . . . .
H4 H 0.647520 0.920709 1.131986 0.037 Uiso 1 1 calc R . . . .
C15 C 0.6099(3) 0.3409(3) 0.9896(3) 0.0365(9) Uani 1 1 d . . . . .
H15 H 0.629957 0.300603 1.040246 0.044 Uiso 1 1 calc R . . . .
C23 C 0.3323(3) 0.0788(3) 0.3869(3) 0.0398(10) Uani 1 1 d . . . . .
H23 H 0.315644 0.033091 0.340714 0.048 Uiso 1 1 calc R . . . .
C24 C 0.3741(3) 0.0541(2) 0.4773(3) 0.0423(10) Uani 1 1 d . . . . .
H24 H 0.384744 -0.009320 0.490903 0.051 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'
Co Co 0.3494 0.9721 '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'
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
N6 Co01 N7 178.95(9) . . ?
N6 Co01 N13 89.59(9) . . ?
N5 Co01 N6 77.29(10) . . ?
N5 Co01 N7 103.01(10) . . ?
N5 Co01 N16 91.96(10) . . ?
N5 Co01 N13 87.10(10) . . ?
N8 Co01 N6 102.61(10) . . ?
N8 Co01 N5 176.49(9) . . ?
N8 Co01 N7 77.03(10) . . ?
N8 Co01 N16 91.55(10) . . ?
N8 Co01 N13 89.38(10) . . ?
N16 Co01 N6 93.34(10) . . ?
N16 Co01 N7 87.66(10) . . ?
N16 Co01 N13 176.66(10) . . ?
N13 Co01 N7 89.42(9) . . ?
C8 N6 Co01 115.9(2) . . ?
C12 N6 Co01 126.0(2) . . ?
C12 N6 C8 117.8(3) . . ?
N4 N5 Co01 136.8(2) . . ?
C7 N5 Co01 113.9(2) . . ?
C7 N5 N4 109.1(3) . . ?
N9 N8 Co01 136.8(2) . . ?
C18 N8 Co01 114.3(2) . . ?
C18 N8 N9 108.6(3) . . ?
C13 N7 Co01 125.7(2) . . ?
C13 N7 C17 118.1(3) . . ?
C17 N7 Co01 116.2(2) . . ?
C7 N2 N3 126.6(3) . . ?
C7 N2 C1 105.5(3) . . ?
C1 N2 N3 127.9(3) . . ?
C1 N4 N5 106.2(2) . . ?
C19 N10 N11 128.1(3) . . ?
C18 N10 N11 126.1(3) . . ?
C18 N10 C19 105.8(3) . . ?
N18 N17 N16 178.6(3) . . ?
C6 N1 C2 116.7(3) . . ?
N17 N16 Co01 123.8(2) . . ?
N2 N3 H3A 109.2 . . ?
N2 N3 H3B 109.7 . . ?
H3A N3 H3B 109.0 . . ?
N14 N13 Co01 122.7(2) . . ?
C19 N9 N8 106.8(3) . . ?
C24 N12 C20 116.3(3) . . ?
N15 N14 N13 179.1(3) . . ?
H1A O1 H1B 109.5 . . ?
N10 N11 H11A 109.6 . . ?
N10 N11 H11B 108.9 . . ?
H11A N11 H11B 109.3 . . ?
N5 C7 N2 108.9(3) . . ?
N5 C7 C8 120.6(3) . . ?
N2 C7 C8 130.5(3) . . ?
N1 C2 C1 116.4(3) . . ?
N1 C2 C3 123.7(3) . . ?
C3 C2 C1 119.9(3) . . ?
N10 C19 C20 127.4(3) . . ?
N9 C19 N10 109.7(3) . . ?
N9 C19 C20 122.9(3) . . ?
N6 C8 C7 111.3(3) . . ?
N6 C8 C9 122.7(3) . . ?
C9 C8 C7 125.9(3) . . ?
N2 C1 C2 125.5(3) . . ?
N4 C1 N2 110.3(3) . . ?
N4 C1 C2 124.1(3) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C10 C11 C12 118.9(3) . . ?
N8 C18 N10 109.1(3) . . ?
N8 C18 C17 120.2(3) . . ?
N10 C18 C17 130.7(3) . . ?
N6 C12 C11 122.7(3) . . ?
N6 C12 H12 118.6 . . ?
C11 C12 H12 118.6 . . ?
N7 C13 H13 118.6 . . ?
N7 C13 C14 122.8(3) . . ?
C14 C13 H13 118.6 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(4) . . ?
C15 C14 H14 120.7 . . ?
C11 C10 H10 120.4 . . ?
C11 C10 C9 119.2(3) . . ?
C9 C10 H10 120.4 . . ?
N7 C17 C18 111.9(3) . . ?
N7 C17 C16 122.4(3) . . ?
C16 C17 C18 125.6(3) . . ?
C8 C9 C10 118.5(3) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
N12 C20 C19 117.3(3) . . ?
N12 C20 C21 123.1(3) . . ?
C21 C20 C19 119.7(3) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.2(3) . . ?
C4 C3 H3 120.9 . . ?
N1 C6 H6 118.2 . . ?
N1 C6 C5 123.6(3) . . ?
C5 C6 H6 118.2 . . ?
C20 C21 H21 120.4 . . ?
C20 C21 C22 119.2(3) . . ?
C22 C21 H21 120.4 . . ?
C6 C5 H5 120.8 . . ?
C4 C5 C6 118.4(3) . . ?
C4 C5 H5 120.8 . . ?
C21 C22 H22 120.9 . . ?
C23 C22 C21 118.1(4) . . ?
C23 C22 H22 120.9 . . ?
C17 C16 H16 120.8 . . ?
C15 C16 C17 118.4(4) . . ?
C15 C16 H16 120.8 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C14 C15 C16 119.7(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.2(4) . . ?
C24 C23 H23 120.4 . . ?
N12 C24 C23 124.2(3) . . ?
N12 C24 H24 117.9 . . ?
C23 C24 H24 117.9 . . ?
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
Co01 N6 2.136(3) . ?
Co01 N5 2.096(3) . ?
Co01 N8 2.092(3) . ?
Co01 N7 2.143(3) . ?
Co01 N16 2.120(2) . ?
Co01 N13 2.144(2) . ?
N6 C8 1.356(4) . ?
N6 C12 1.336(4) . ?
N5 N4 1.370(3) . ?
N5 C7 1.314(4) . ?
N8 N9 1.365(4) . ?
N8 C18 1.324(4) . ?
N7 C13 1.337(4) . ?
N7 C17 1.351(4) . ?
N2 N3 1.414(4) . ?
N2 C7 1.357(4) . ?
N2 C1 1.367(4) . ?
N4 C1 1.318(4) . ?
N10 N11 1.416(4) . ?
N10 C19 1.372(4) . ?
N10 C18 1.346(4) . ?
N17 N16 1.186(4) . ?
N17 N18 1.172(4) . ?
N1 C2 1.345(4) . ?
N1 C6 1.334(4) . ?
N3 H3A 0.8638 . ?
N3 H3B 0.8640 . ?
N13 N14 1.207(4) . ?
N9 C19 1.319(4) . ?
N12 C20 1.348(4) . ?
N12 C24 1.338(5) . ?
N14 N15 1.179(4) . ?
O1 H1A 0.8500 . ?
O1 H1B 0.8500 . ?
N11 H11A 0.8613 . ?
N11 H11B 0.8612 . ?
C7 C8 1.477(4) . ?
C2 C1 1.470(4) . ?
C2 C3 1.384(5) . ?
C19 C20 1.466(5) . ?
C8 C9 1.375(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.385(4) . ?
C11 C10 1.377(5) . ?
C18 C17 1.463(5) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.389(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(5) . ?
C10 H10 0.9300 . ?
C10 C9 1.390(5) . ?
C17 C16 1.391(4) . ?
C9 H9 0.9300 . ?
C20 C21 1.377(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(5) . ?
C6 H6 0.9300 . ?
C6 C5 1.389(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.385(5) . ?
C5 H5 0.9300 . ?
C5 C4 1.377(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.373(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.380(5) . ?
C4 H4 0.9300 . ?
C15 H15 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.366(6) . ?
C24 H24 0.9300 . ?
