#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:30:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180397 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/66/7206632.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_7206632
loop_
_publ_author_name
'Li, Xia'
'Gu, Ya-Kun'
'Deng, Xue-Bin'
'Zhao, Kai'
'Jin, Lin-Pei'
_publ_section_title
;
 Effect of anions on architectures of transition metal complexes with
 1,4-bis(1,2,4-triazol-1-yl)butane
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6665
_journal_paper_doi               10.1039/c1ce05491k
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C20 H24 Co N9 O5'
_chemical_formula_weight         529.41
_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                107.1730(10)
_cell_angle_beta                 103.271(2)
_cell_angle_gamma                104.5450(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9762(7)
_cell_length_b                   11.3964(8)
_cell_length_c                   12.7958(14)
_cell_measurement_reflns_used    2045
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1143.39(17)
_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      150(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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5785
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  0.9027
_exptl_absorpt_correction_T_min  0.7662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4107
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0386
_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)+(0.0434P)²+0.8510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                3404
_reflns_number_total             4107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05491k.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206632
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2978(3) 0.1801(3) 0.9734(3) 0.0306(7) Uani 1 1 d . A .
H1 H 0.2839 0.2534 1.0241 0.037 Uiso 1 1 calc R . .
C2 C 0.2710(4) -0.0084(3) 0.8708(3) 0.0330(7) Uani 1 1 d . . .
H2 H 0.2288 -0.1009 0.8331 0.040 Uiso 1 1 calc R . .
C3 C 0.5259(7) 0.2986(6) 0.9128(5) 0.0268(13) Uani 0.537(5) 1 d PDU A 1
H3A H 0.6353 0.2904 0.9270 0.032 Uiso 0.537(5) 1 calc PR A 1
H3B H 0.5359 0.3801 0.9740 0.032 Uiso 0.537(5) 1 calc PR A 1
C4 C 0.4764(7) 0.3134(6) 0.7962(5) 0.0271(13) Uani 0.537(5) 1 d PDU A 1
H4A H 0.3793 0.3407 0.7877 0.032 Uiso 0.537(5) 1 calc PR A 1
H4B H 0.4474 0.2282 0.7328 0.032 Uiso 0.537(5) 1 calc PR A 1
C5 C 0.6160(6) 0.4151(5) 0.7875(5) 0.0289(12) Uani 0.537(5) 1 d PDU A 1
H5A H 0.6458 0.4988 0.8530 0.035 Uiso 0.537(5) 1 calc PR A 1
H5B H 0.7120 0.3864 0.7964 0.035 Uiso 0.537(5) 1 calc PR A 1
C6 C 0.5795(7) 0.4393(7) 0.6756(5) 0.0322(11) Uani 0.537(5) 1 d PDU A 1
H6A H 0.6743 0.5057 0.6751 0.039 Uiso 0.537(5) 1 calc PR A 1
H6B H 0.5484 0.3577 0.6077 0.039 Uiso 0.537(5) 1 calc PR A 1
C3' C 0.5679(8) 0.2969(7) 0.9660(6) 0.0322(17) Uani 0.463(5) 1 d PDU A 2
H3'1 H 0.6595 0.2646 0.9606 0.039 Uiso 0.463(5) 1 calc PR A 2
H3'2 H 0.5915 0.3529 1.0476 0.039 Uiso 0.463(5) 1 calc PR A 2
C4' C 0.5466(8) 0.3747(6) 0.8884(5) 0.0296(14) Uani 0.463(5) 1 d PDU A 2
H4'1 H 0.4487 0.3992 0.8907 0.036 Uiso 0.463(5) 1 calc PR A 2
H4'2 H 0.6416 0.4568 0.9219 0.036 Uiso 0.463(5) 1 calc PR A 2
C5' C 0.5294(9) 0.3073(6) 0.7628(5) 0.0264(14) Uani 0.463(5) 1 d PDU A 2
H5'1 H 0.4181 0.2422 0.7219 0.032 Uiso 0.463(5) 1 calc PR A 2
H5'2 H 0.6075 0.2597 0.7592 0.032 Uiso 0.463(5) 1 calc PR A 2
C6' C 0.5600(9) 0.4030(7) 0.6990(7) 0.0322(11) Uani 0.463(5) 1 d PDU A 2
H6'A H 0.5616 0.3511 0.6223 0.039 Uiso 0.463(5) 1 calc PR A 2
H6'B H 0.6718 0.4663 0.7422 0.039 Uiso 0.463(5) 1 calc PR A 2
C7 C 0.3174(4) 0.4513(3) 0.5889(3) 0.0362(7) Uani 1 1 d . A .
H7 H 0.2851 0.3788 0.5182 0.043 Uiso 1 1 calc R . .
C8 C 0.3305(5) 0.6172(3) 0.7203(3) 0.0544(11) Uani 1 1 d . A .
H8 H 0.3040 0.6889 0.7615 0.065 Uiso 1 1 calc R . .
C9 C 0.2926(3) 0.0437(3) 1.2073(2) 0.0223(6) Uani 1 1 d . . .
H9 H 0.3105 -0.0294 1.1597 0.027 Uiso 1 1 calc R . .
C10 C 0.2005(4) 0.1916(3) 1.2694(2) 0.0281(6) Uani 1 1 d . . .
H10 H 0.1346 0.2452 1.2717 0.034 Uiso 1 1 calc R . .
C11 C 0.5078(3) 0.0904(3) 1.3936(2) 0.0264(6) Uani 1 1 d . . .
H11A H 0.5909 0.1749 1.4492 0.032 Uiso 1 1 calc R . .
H11B H 0.5619 0.0409 1.3472 0.032 Uiso 1 1 calc R . .
C12 C 0.4351(3) 0.0131(3) 1.4599(2) 0.0268(6) Uani 1 1 d . . .
H12A H 0.3806 0.0626 1.5059 0.032 Uiso 1 1 calc R . .
H12B H 0.3518 -0.0712 1.4041 0.032 Uiso 1 1 calc R . .
C13 C 0.0477(3) -0.2739(2) 0.9329(2) 0.0200(6) Uani 1 1 d . . .
C14 C 0.0240(3) -0.3908(2) 0.9689(2) 0.0162(5) Uani 1 1 d . . .
C15 C 0.0447(4) -0.5033(3) 0.9034(2) 0.0267(6) Uani 1 1 d . . .
H15 H 0.0763 -0.5058 0.8371 0.032 Uiso 1 1 calc R . .
C16 C -0.0196(3) -0.3881(2) 1.0659(2) 0.0214(6) Uani 1 1 d . . .
H16 H -0.0326 -0.3115 1.1120 0.026 Uiso 1 1 calc R . .
C17 C -0.0620(3) 0.2458(3) 0.5409(2) 0.0268(6) Uani 1 1 d . A .
C18 C -0.0296(3) 0.1185(2) 0.5196(2) 0.0224(6) Uani 1 1 d . . .
C19 C -0.0001(4) 0.0711(3) 0.6081(2) 0.0270(6) Uani 1 1 d . . .
H19 H 0.0001 0.1194 0.6827 0.032 Uiso 1 1 calc R . .
C20 C 0.0289(4) -0.0458(3) 0.5883(2) 0.0287(6) Uani 1 1 d . . .
H20 H 0.0488 -0.0768 0.6496 0.034 Uiso 1 1 calc R . .
Co1 Co 0.0000 0.0000 1.0000 0.01453(13) Uani 1 2 d S . .
Co2 Co 0.0000 0.5000 0.5000 0.03599(18) Uani 1 2 d S . .
N1 N 0.2029(3) 0.0576(2) 0.94026(18) 0.0202(5) Uani 1 1 d . . .
N2 N 0.4153(3) 0.1867(2) 0.9260(2) 0.0304(6) Uani 1 1 d D . .
N3 N 0.4010(3) 0.0651(2) 0.8590(2) 0.0334(6) Uani 1 1 d . A .
N4 N 0.4491(3) 0.4847(3) 0.6767(2) 0.0457(8) Uani 1 1 d D . .
N5 N 0.2355(4) 0.5319(2) 0.6117(2) 0.0396(7) Uani 1 1 d . . .
N6 N 0.4607(4) 0.5935(3) 0.7636(3) 0.0678(11) Uani 1 1 d . A .
N7 N 0.1763(3) 0.0891(2) 1.17307(17) 0.0194(5) Uani 1 1 d . . .
N8 N 0.3809(3) 0.1144(2) 1.31733(18) 0.0224(5) Uani 1 1 d . . .
N9 N 0.3225(3) 0.2109(2) 1.3595(2) 0.0317(6) Uani 1 1 d . . .
O1 O 0.0302(2) -0.17543(16) 0.99881(15) 0.0206(4) Uani 1 1 d . . .
O2 O 0.0826(3) -0.28288(18) 0.84303(17) 0.0325(5) Uani 1 1 d . . .
O3 O -0.0514(3) 0.29729(18) 0.46677(17) 0.0327(5) Uani 1 1 d . . .
O4 O -0.0980(3) 0.29084(19) 0.62965(18) 0.0375(5) Uani 1 1 d . . .
O6 O -0.0941(3) 0.5229(2) 0.63666(19) 0.0401(6) Uani 1 1 d D . .
H6C H -0.036(4) 0.580(2) 0.704(2) 0.060 Uiso 1 1 d D . .
H6D H -0.105(4) 0.4471(19) 0.641(3) 0.060 Uiso 1 1 d D . .
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
N1 C1 N2 110.6(2) . .
N1 C1 H1 124.7 . .
N2 C1 H1 124.7 . .
N3 C2 N1 115.1(3) . .
N3 C2 H2 122.5 . .
N1 C2 H2 122.5 . .
N2 C3 C4 116.7(4) . .
N2 C3 H3A 108.1 . .
C4 C3 H3A 108.1 . .
N2 C3 H3B 108.1 . .
C4 C3 H3B 108.1 . .
H3A C3 H3B 107.3 . .
C3 C4 C5 110.4(4) . .
C3 C4 H4A 109.6 . .
C5 C4 H4A 109.6 . .
C3 C4 H4B 109.6 . .
C5 C4 H4B 109.6 . .
H4A C4 H4B 108.1 . .
C6 C5 C4 115.0(5) . .
C6 C5 H5A 108.5 . .
C4 C5 H5A 108.5 . .
C6 C5 H5B 108.5 . .
C4 C5 H5B 108.5 . .
H5A C5 H5B 107.5 . .
N4 C6 C5 102.7(4) . .
N4 C6 H6A 111.2 . .
C5 C6 H6A 111.2 . .
N4 C6 H6B 111.2 . .
C5 C6 H6B 111.2 . .
H6A C6 H6B 109.1 . .
N2 C3' C4' 107.4(5) . .
N2 C3' H3'1 110.2 . .
C4' C3' H3'1 110.2 . .
N2 C3' H3'2 110.2 . .
C4' C3' H3'2 110.2 . .
H3'1 C3' H3'2 108.5 . .
C5' C4' C3' 116.5(6) . .
C5' C4' H4'1 108.2 . .
C3' C4' H4'1 108.2 . .
C5' C4' H4'2 108.2 . .
C3' C4' H4'2 108.2 . .
H4'1 C4' H4'2 107.3 . .
C4' C5' C6' 113.4(6) . .
C4' C5' H5'1 108.9 . .
C6' C5' H5'1 108.9 . .
C4' C5' H5'2 108.9 . .
C6' C5' H5'2 108.9 . .
H5'1 C5' H5'2 107.7 . .
C5' C6' N4 123.3(5) . .
C5' C6' H6'A 106.5 . .
N4 C6' H6'A 106.5 . .
C5' C6' H6'B 106.5 . .
N4 C6' H6'B 106.5 . .
H6'A C6' H6'B 106.5 . .
N4 C7 N5 111.0(3) . .
N4 C7 H7 124.5 . .
N5 C7 H7 124.5 . .
N6 C8 N5 115.0(3) . .
N6 C8 H8 122.5 . .
N5 C8 H8 122.5 . .
N7 C9 N8 110.5(2) . .
N7 C9 H9 124.8 . .
N8 C9 H9 124.8 . .
N9 C10 N7 114.5(2) . .
N9 C10 H10 122.7 . .
N7 C10 H10 122.7 . .
N8 C11 C12 110.5(2) . .
N8 C11 H11A 109.5 . .
C12 C11 H11A 109.5 . .
N8 C11 H11B 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C12 C12 C11 111.5(3) 2_658 .
C12 C12 H12A 109.3 2_658 .
C11 C12 H12A 109.3 . .
C12 C12 H12B 109.3 2_658 .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
O2 C13 O1 126.1(2) . .
O2 C13 C14 118.2(2) . .
O1 C13 C14 115.8(2) . .
C16 C14 C15 119.0(2) . .
C16 C14 C13 120.8(2) . .
C15 C14 C13 120.2(2) . .
C16 C15 C14 120.7(2) 2_547 .
C16 C15 H15 119.7 2_547 .
C14 C15 H15 119.7 . .
C14 C16 C15 120.4(2) . 2_547
C14 C16 H16 119.8 . .
C15 C16 H16 119.8 2_547 .
O4 C17 O3 125.6(3) . .
O4 C17 C18 117.5(2) . .
O3 C17 C18 116.9(2) . .
C20 C18 C19 118.4(2) 2_556 .
C20 C18 C17 121.0(2) 2_556 .
C19 C18 C17 120.6(2) . .
C20 C19 C18 120.5(3) . .
C20 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C19 C20 C18 121.1(3) . 2_556
C19 C20 H20 119.5 . .
C18 C20 H20 119.5 2_556 .
O1 Co1 O1 180.000(1) 2_557 .
O1 Co1 N1 94.23(7) 2_557 2_557
O1 Co1 N1 85.77(7) . 2_557
O1 Co1 N1 85.77(7) 2_557 .
O1 Co1 N1 94.23(7) . .
N1 Co1 N1 180.000(1) 2_557 .
O1 Co1 N7 93.43(7) 2_557 .
O1 Co1 N7 86.57(7) . .
N1 Co1 N7 93.46(8) 2_557 .
N1 Co1 N7 86.54(8) . .
O1 Co1 N7 86.57(7) 2_557 2_557
O1 Co1 N7 93.43(7) . 2_557
N1 Co1 N7 86.54(8) 2_557 2_557
N1 Co1 N7 93.46(8) . 2_557
N7 Co1 N7 180.0 . 2_557
O6 Co2 O6 180.000(1) . 2_566
O6 Co2 O3 88.87(8) . 2_566
O6 Co2 O3 91.13(8) 2_566 2_566
O6 Co2 O3 91.13(8) . .
O6 Co2 O3 88.87(8) 2_566 .
O3 Co2 O3 180.0 2_566 .
O6 Co2 N5 88.45(10) . 2_566
O6 Co2 N5 91.55(10) 2_566 2_566
O3 Co2 N5 87.18(9) 2_566 2_566
O3 Co2 N5 92.82(9) . 2_566
O6 Co2 N5 91.55(10) . .
O6 Co2 N5 88.45(10) 2_566 .
O3 Co2 N5 92.82(9) 2_566 .
O3 Co2 N5 87.18(9) . .
N5 Co2 N5 180.000(1) 2_566 .
C1 N1 C2 102.5(2) . .
C1 N1 Co1 123.39(18) . .
C2 N1 Co1 134.04(18) . .
C1 N2 N3 109.8(2) . .
C1 N2 C3' 126.2(4) . .
N3 N2 C3' 121.2(4) . .
C1 N2 C3 131.2(3) . .
N3 N2 C3 117.2(3) . .
C3' N2 C3 27.7(3) . .
C2 N3 N2 102.0(2) . .
C7 N4 N6 109.7(3) . .
C7 N4 C6 126.6(4) . .
N6 N4 C6 122.1(4) . .
C7 N4 C6' 128.3(4) . .
N6 N4 C6' 120.5(4) . .
C6 N4 C6' 22.3(3) . .
C7 N5 C8 101.9(3) . .
C7 N5 Co2 123.1(2) . .
C8 N5 Co2 134.6(2) . .
C8 N6 N4 102.3(3) . .
C9 N7 C10 102.8(2) . .
C9 N7 Co1 122.83(17) . .
C10 N7 Co1 134.33(18) . .
C9 N8 N9 109.6(2) . .
C9 N8 C11 129.0(2) . .
N9 N8 C11 120.9(2) . .
C10 N9 N8 102.6(2) . .
C13 O1 Co1 139.94(16) . .
C17 O3 Co2 124.89(18) . .
Co2 O6 H6C 120(3) . .
Co2 O6 H6D 99(2) . .
H6C O6 H6D 107(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.319(3) .
C1 N2 1.329(4) .
C1 H1 0.9500 .
C2 N3 1.323(4) .
C2 N1 1.347(4) .
C2 H2 0.9500 .
C3 N2 1.486(5) .
C3 C4 1.527(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.529(6) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.516(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 N4 1.395(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C3' N2 1.466(6) .
C3' C4' 1.524(7) .
C3' H3'1 0.9900 .
C3' H3'2 0.9900 .
C4' C5' 1.515(7) .
C4' H4'1 0.9900 .
C4' H4'2 0.9900 .
C5' C6' 1.552(7) .
C5' H5'1 0.9900 .
C5' H5'2 0.9900 .
C6' N4 1.560(7) .
C6' H6'A 0.9900 .
C6' H6'B 0.9900 .
C7 N4 1.310(4) .
C7 N5 1.323(4) .
C7 H7 0.9500 .
C8 N6 1.302(5) .
C8 N5 1.357(5) .
C8 H8 0.9500 .
C9 N7 1.321(3) .
C9 N8 1.326(3) .
C9 H9 0.9500 .
C10 N9 1.314(4) .
C10 N7 1.353(3) .
C10 H10 0.9500 .
C11 N8 1.458(3) .
C11 C12 1.526(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C12 1.519(5) 2_658
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 O2 1.242(3) .
C13 O1 1.260(3) .
C13 C14 1.515(3) .
C14 C16 1.380(4) .
C14 C15 1.392(4) .
C15 C16 1.386(4) 2_547
C15 H15 0.9500 .
C16 C15 1.386(4) 2_547
C16 H16 0.9500 .
C17 O4 1.250(3) .
C17 O3 1.263(3) .
C17 C18 1.510(4) .
C18 C20 1.387(4) 2_556
C18 C19 1.393(4) .
C19 C20 1.382(4) .
C19 H19 0.9500 .
C20 C18 1.387(4) 2_556
C20 H20 0.9500 .
Co1 O1 2.0801(16) 2_557
Co1 O1 2.0801(16) .
Co1 N1 2.161(2) 2_557
Co1 N1 2.161(2) .
Co1 N7 2.167(2) .
Co1 N7 2.167(2) 2_557
Co2 O6 2.088(2) .
Co2 O6 2.088(2) 2_566
Co2 O3 2.1273(18) 2_566
Co2 O3 2.1273(18) .
Co2 N5 2.136(3) 2_566
Co2 N5 2.136(3) .
N2 N3 1.353(3) .
N4 N6 1.361(4) .
N8 N9 1.359(3) .
O6 H6C 0.858(18) .
O6 H6D 0.862(18) .
