# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_address     
;
Department of Chemistry,
East China Normal University,
Shanghai 200062, China.
;
_publ_contact_author_email       eqgao@chem.ecnu.edu.cn
_publ_contact_author_fax         86-21-62233404
_publ_contact_author_phone       86-21-62233404
#TrackingRef '1.cif'

_publ_contact_author_name        'En-Qing Gao'
_publ_author_name                'En-Qing Gao'

data_1
_database_code_depnum_ccdc_archive 'CCDC 826223'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H10 Co N4 O4'
_chemical_formula_weight         333.17

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c '

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'

_cell_length_a                   7.2227(7)
_cell_length_b                   26.181(2)
_cell_length_c                   14.2067(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.151(4)
_cell_angle_gamma                90.00
_cell_volume                     2580.4(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3944
_cell_measurement_theta_min      2.77
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1352
_exptl_absorpt_coefficient_mu    1.353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6871
_exptl_absorpt_correction_T_max  0.8766
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14385
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.16
_diffrn_reflns_theta_max         26.01
_reflns_number_total             5025
_reflns_number_gt                3698
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0344P)^2^+0.6493P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5025
_refine_ls_number_parameters     382
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0856
_refine_ls_wR_factor_gt          0.0766
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.66941(5) 0.001553(12) 0.77120(2) 0.02059(10) Uani 1 1 d . . .
Co2 Co 0.5000 0.0000 1.0000 0.01842(12) Uani 1 2 d S . .
Co3 Co 0.5000 0.0000 0.5000 0.02256(13) Uani 1 2 d S . .
C1 C 0.6913(4) -0.08824(9) 0.91140(19) 0.0236(6) Uani 1 1 d . . .
C2 C 0.7281(4) -0.14442(9) 0.93230(19) 0.0232(6) Uani 1 1 d . . .
C3 C 0.6934(4) -0.17980(10) 0.8561(2) 0.0317(7) Uani 1 1 d . . .
H3A H 0.6561 -0.1685 0.7915 0.038 Uiso 1 1 calc R . .
C4 C 0.7137(5) -0.23127(10) 0.8753(2) 0.0333(7) Uani 1 1 d . . .
H4A H 0.6882 -0.2542 0.8232 0.040 Uiso 1 1 calc R . .
C5 C 0.7713(4) -0.25004(9) 0.9708(2) 0.0265(6) Uani 1 1 d . . .
C6 C 0.8125(4) -0.21445(10) 1.0466(2) 0.0330(7) Uani 1 1 d . . .
H6A H 0.8557 -0.2257 1.1111 0.040 Uiso 1 1 calc R . .
C7 C 0.7903(4) -0.16242(10) 1.0275(2) 0.0328(7) Uani 1 1 d . . .
H7A H 0.8175 -0.1394 1.0794 0.039 Uiso 1 1 calc R . .
C8 C 0.7801(4) -0.30588(9) 0.9899(2) 0.0257(6) Uani 1 1 d . . .
C9 C 0.8066(4) -0.34102(10) 0.9211(2) 0.0322(7) Uani 1 1 d . . .
H9A H 0.8264 -0.3292 0.8629 0.039 Uiso 1 1 calc R . .
C10 C 0.8042(4) -0.39242(10) 0.9372(2) 0.0318(7) Uani 1 1 d . . .
H10A H 0.8234 -0.4150 0.8903 0.038 Uiso 1 1 calc R . .
C11 C 0.7522(4) -0.37861(10) 1.0899(2) 0.0314(7) Uani 1 1 d . . .
H11A H 0.7346 -0.3915 1.1478 0.038 Uiso 1 1 calc R . .
C12 C 0.7556(5) -0.32665(10) 1.0755(2) 0.0328(7) Uani 1 1 d . . .
H12A H 0.7411 -0.3048 1.1246 0.039 Uiso 1 1 calc R . .
C13 C 0.6720(4) 0.09071(9) 0.63939(19) 0.0224(6) Uani 1 1 d . . .
C14 C 0.7144(4) 0.14667(9) 0.63043(19) 0.0236(6) Uani 1 1 d . . .
C15 C 0.7205(4) 0.16643(9) 0.5415(2) 0.0296(7) Uani 1 1 d . . .
H15A H 0.7075 0.1447 0.4882 0.036 Uiso 1 1 calc R . .
C16 C 0.7460(4) 0.21824(9) 0.5307(2) 0.0298(7) Uani 1 1 d . . .
H16A H 0.7504 0.2308 0.4702 0.036 Uiso 1 1 calc R . .
C17 C 0.7649(4) 0.25192(9) 0.6083(2) 0.0255(6) Uani 1 1 d . . .
C18 C 0.7659(5) 0.23114(10) 0.6987(2) 0.0394(8) Uani 1 1 d . . .
H18A H 0.7833 0.2525 0.7527 0.047 Uiso 1 1 calc R . .
C19 C 0.7415(5) 0.17945(10) 0.7096(2) 0.0384(8) Uani 1 1 d . . .
H19A H 0.7433 0.1665 0.7708 0.046 Uiso 1 1 calc R . .
C20 C 0.7745(4) 0.30777(9) 0.59368(19) 0.0242(6) Uani 1 1 d . . .
C21 C 0.7139(5) 0.32881(10) 0.5006(2) 0.0333(7) Uani 1 1 d . . .
H21A H 0.6716 0.3073 0.4468 0.040 Uiso 1 1 calc R . .
C22 C 0.7146(5) 0.38064(10) 0.4859(2) 0.0325(7) Uani 1 1 d . . .
H22A H 0.6740 0.3940 0.4229 0.039 Uiso 1 1 calc R . .
C23 C 0.8354(4) 0.39379(10) 0.6541(2) 0.0300(7) Uani 1 1 d . . .
H23A H 0.8775 0.4161 0.7066 0.036 Uiso 1 1 calc R . .
C24 C 0.8364(5) 0.34212(10) 0.6702(2) 0.0320(7) Uani 1 1 d . . .
H24A H 0.8796 0.3298 0.7340 0.038 Uiso 1 1 calc R . .
O1 O 0.6919(3) -0.07279(6) 0.82814(13) 0.0321(5) Uani 1 1 d . . .
O2 O 0.6602(3) -0.06259(6) 0.98027(13) 0.0298(5) Uani 1 1 d . . .
O3 O 0.7690(3) -0.46110(6) 1.03192(13) 0.0293(4) Uani 1 1 d . . .
O4 O 0.6566(3) 0.07564(6) 0.72005(13) 0.0283(4) Uani 1 1 d . . .
O5 O 0.6530(3) 0.06443(6) 0.56329(13) 0.0303(5) Uani 1 1 d . . .
O6 O 0.7700(3) 0.46294(6) 0.54890(12) 0.0234(4) Uani 1 1 d . . .
O7 O 0.8970(3) 0.02622(7) 0.88999(13) 0.0308(5) Uani 1 1 d . . .
H7B H 1.0030 0.0106 0.8972 0.046 Uiso 1 1 d R . .
H7C H 0.8660 0.0269 0.9484 0.046 Uiso 1 1 d R . .
O8 O 0.9139(3) -0.01289(7) 0.71623(13) 0.0315(5) Uani 1 1 d . . .
H8B H 0.9911 0.0120 0.7215 0.047 Uiso 1 1 d R . .
H8C H 0.8633 -0.0176 0.6548 0.047 Uiso 1 1 d R . .
N1 N 0.7745(3) -0.41055(8) 1.02001(16) 0.0252(5) Uani 1 1 d . . .
N2 N 0.7744(3) 0.41192(7) 0.56330(15) 0.0224(5) Uani 1 1 d . . .
N3 N 0.4698(3) 0.02321(8) 0.85272(15) 0.0238(5) Uani 1 1 d . . .
N4 N 0.3313(4) 0.04830(8) 0.81260(16) 0.0275(5) Uani 1 1 d . . .
N5 N 0.1980(4) 0.07252(11) 0.77464(18) 0.0454(7) Uani 1 1 d . . .
N6 N 0.4715(4) -0.02404(8) 0.63990(16) 0.0288(5) Uani 1 1 d . . .
N7 N 0.3545(4) -0.05646(9) 0.64225(16) 0.0331(6) Uani 1 1 d . . .
N8 N 0.2443(5) -0.08790(12) 0.6447(2) 0.0654(10) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Co1 0.0321(2) 0.01430(18) 0.01591(19) 0.00148(14) 0.00764(15) 0.00103(15)
Co2 0.0279(3) 0.0126(2) 0.0158(3) 0.00099(19) 0.0077(2) 0.0009(2)
Co3 0.0394(3) 0.0119(2) 0.0163(3) 0.00046(19) 0.0076(2) -0.0008(2)
C1 0.0283(16) 0.0206(14) 0.0229(15) 0.0026(11) 0.0086(12) 0.0023(11)
C2 0.0308(16) 0.0157(13) 0.0259(15) 0.0039(11) 0.0125(12) 0.0027(11)
C3 0.050(2) 0.0213(14) 0.0257(16) 0.0017(12) 0.0142(14) 0.0018(13)
C4 0.054(2) 0.0194(14) 0.0296(17) -0.0020(12) 0.0165(15) 0.0009(13)
C5 0.0313(17) 0.0169(14) 0.0316(17) 0.0032(11) 0.0094(13) 0.0017(11)
C6 0.048(2) 0.0232(15) 0.0258(16) 0.0052(12) 0.0067(14) 0.0025(13)
C7 0.049(2) 0.0187(14) 0.0296(17) -0.0017(12) 0.0095(14) 0.0036(13)
C8 0.0312(16) 0.0170(13) 0.0279(16) 0.0027(11) 0.0064(12) -0.0007(11)
C9 0.050(2) 0.0220(14) 0.0280(16) 0.0077(12) 0.0169(14) 0.0029(13)
C10 0.050(2) 0.0223(14) 0.0259(16) 0.0001(12) 0.0156(14) 0.0007(13)
C11 0.055(2) 0.0183(14) 0.0234(16) 0.0014(11) 0.0156(14) 0.0000(13)
C12 0.048(2) 0.0238(15) 0.0287(17) -0.0031(12) 0.0147(14) -0.0011(13)
C13 0.0287(16) 0.0145(13) 0.0229(15) -0.0004(11) 0.0054(12) 0.0012(11)
C14 0.0308(16) 0.0162(13) 0.0224(15) 0.0014(11) 0.0048(12) -0.0018(11)
C15 0.047(2) 0.0177(13) 0.0254(16) -0.0020(11) 0.0119(14) -0.0016(12)
C16 0.051(2) 0.0180(14) 0.0242(16) 0.0026(11) 0.0164(14) -0.0041(13)
C17 0.0339(17) 0.0158(13) 0.0271(16) 0.0025(11) 0.0088(13) -0.0005(11)
C18 0.074(3) 0.0200(15) 0.0235(16) -0.0047(12) 0.0123(16) -0.0090(15)
C19 0.075(2) 0.0197(15) 0.0212(16) 0.0003(12) 0.0141(16) -0.0055(14)
C20 0.0301(16) 0.0165(13) 0.0263(15) 0.0017(11) 0.0082(12) -0.0012(11)
C21 0.053(2) 0.0184(14) 0.0263(16) -0.0033(12) 0.0068(14) -0.0012(13)
C22 0.054(2) 0.0213(14) 0.0200(15) 0.0008(12) 0.0059(14) 0.0020(13)
C23 0.048(2) 0.0196(14) 0.0204(15) -0.0016(11) 0.0059(14) -0.0031(12)
C24 0.055(2) 0.0181(14) 0.0193(15) 0.0042(11) 0.0051(14) -0.0025(13)
O1 0.0566(14) 0.0164(9) 0.0266(11) 0.0050(8) 0.0172(10) 0.0040(9)
O2 0.0456(13) 0.0188(10) 0.0266(11) 0.0014(8) 0.0125(9) 0.0077(9)
O3 0.0433(13) 0.0119(9) 0.0314(11) 0.0036(8) 0.0081(9) -0.0012(8)
O4 0.0488(13) 0.0151(9) 0.0227(11) 0.0035(8) 0.0128(9) -0.0004(8)
O5 0.0503(14) 0.0164(9) 0.0244(11) -0.0020(8) 0.0106(9) -0.0069(9)
O6 0.0322(11) 0.0102(8) 0.0279(10) 0.0019(7) 0.0083(8) 0.0000(8)
O7 0.0326(12) 0.0388(12) 0.0207(10) -0.0012(9) 0.0067(9) 0.0039(9)
O8 0.0417(13) 0.0310(10) 0.0225(11) -0.0012(8) 0.0101(9) 0.0015(9)
N1 0.0332(14) 0.0180(11) 0.0242(13) 0.0012(9) 0.0079(10) -0.0025(10)
N2 0.0305(13) 0.0130(11) 0.0236(13) 0.0010(9) 0.0074(10) 0.0012(9)
N3 0.0295(14) 0.0249(12) 0.0174(12) 0.0037(9) 0.0072(10) 0.0044(10)
N4 0.0369(15) 0.0287(13) 0.0200(13) 0.0007(10) 0.0133(11) -0.0029(12)
N5 0.0421(18) 0.0610(18) 0.0319(16) 0.0156(13) 0.0084(13) 0.0224(15)
N6 0.0422(16) 0.0238(12) 0.0199(13) 0.0015(9) 0.0080(11) -0.0071(11)
N7 0.0472(17) 0.0361(14) 0.0190(13) -0.0035(10) 0.0143(12) -0.0058(13)
N8 0.090(3) 0.072(2) 0.0476(19) -0.0234(16) 0.0419(18) -0.051(2)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O4 2.0643(16) . ?
Co1 O1 2.0966(17) . ?
Co1 O7 2.1033(19) . ?
Co1 N6 2.119(2) . ?
Co1 O8 2.1540(19) . ?
Co1 N3 2.161(2) . ?
Co2 O2 2.0697(17) 3_657 ?
Co2 O2 2.0697(17) . ?
Co2 O6 2.1153(18) 4_566 ?
Co2 O6 2.1153(18) 2_646 ?
Co2 N3 2.131(2) . ?
Co2 N3 2.131(2) 3_657 ?
Co3 O5 2.0792(17) . ?
Co3 O5 2.0792(17) 3_656 ?
Co3 O3 2.1280(19) 2_656 ?
Co3 O3 2.1280(19) 4 ?
Co3 N6 2.149(2) . ?
Co3 N6 2.149(2) 3_656 ?
C1 O1 1.251(3) . ?
C1 O2 1.257(3) . ?
C1 C2 1.509(3) . ?
C2 C7 1.384(4) . ?
C2 C3 1.394(4) . ?
C3 C4 1.375(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.393(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.392(4) . ?
C5 C8 1.485(3) . ?
C6 C7 1.389(4) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C12 1.388(4) . ?
C8 C9 1.394(4) . ?
C9 C10 1.366(3) . ?
C9 H9A 0.9300 . ?
C10 N1 1.340(3) . ?
C10 H10A 0.9300 . ?
C11 N1 1.341(3) . ?
C11 C12 1.377(4) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 O4 1.246(3) . ?
C13 O5 1.256(3) . ?
C13 C14 1.509(3) . ?
C14 C15 1.378(3) . ?
C14 C19 1.384(4) . ?
C15 C16 1.383(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.388(4) . ?
C16 H16A 0.9300 . ?
C17 C18 1.392(4) . ?
C17 C20 1.481(3) . ?
C18 C19 1.379(4) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C21 1.387(4) . ?
C20 C24 1.386(4) . ?
C21 C22 1.373(4) . ?
C21 H21A 0.9300 . ?
C22 N2 1.342(3) . ?
C22 H22A 0.9300 . ?
C23 N2 1.329(3) . ?
C23 C24 1.372(3) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
O3 N1 1.336(2) . ?
O3 Co3 2.1280(19) 2_646 ?
O6 N2 1.350(2) . ?
O6 Co2 2.1153(18) 2_656 ?
O7 H7B 0.8488 . ?
O7 H7C 0.9177 . ?
O8 H8B 0.8471 . ?
O8 H8C 0.8563 . ?
N3 N4 1.200(3) . ?
N4 N5 1.153(3) . ?
N6 N7 1.205(3) . ?
N7 N8 1.152(3) . ?

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
O4 Co1 O1 177.62(8) . . ?
O4 Co1 O7 86.70(7) . . ?
O1 Co1 O7 90.92(8) . . ?
O4 Co1 N6 91.95(8) . . ?
O1 Co1 N6 90.40(8) . . ?
O7 Co1 N6 171.45(8) . . ?
O4 Co1 O8 89.91(7) . . ?
O1 Co1 O8 89.62(7) . . ?
O7 Co1 O8 78.94(7) . . ?
N6 Co1 O8 92.62(8) . . ?
O4 Co1 N3 88.33(8) . . ?
O1 Co1 N3 91.64(8) . . ?
O7 Co1 N3 88.76(8) . . ?
N6 Co1 N3 99.65(9) . . ?
O8 Co1 N3 167.66(8) . . ?
O2 Co2 O2 180.000(1) 3_657 . ?
O2 Co2 O6 95.25(7) 3_657 4_566 ?
O2 Co2 O6 84.75(7) . 4_566 ?
O2 Co2 O6 84.75(7) 3_657 2_646 ?
O2 Co2 O6 95.25(7) . 2_646 ?
O6 Co2 O6 180.00(9) 4_566 2_646 ?
O2 Co2 N3 89.94(8) 3_657 . ?
O2 Co2 N3 90.06(8) . . ?
O6 Co2 N3 91.42(8) 4_566 . ?
O6 Co2 N3 88.58(8) 2_646 . ?
O2 Co2 N3 90.06(8) 3_657 3_657 ?
O2 Co2 N3 89.94(8) . 3_657 ?
O6 Co2 N3 88.58(8) 4_566 3_657 ?
O6 Co2 N3 91.42(8) 2_646 3_657 ?
N3 Co2 N3 180.000(1) . 3_657 ?
O5 Co3 O5 180.00(5) . 3_656 ?
O5 Co3 O3 92.74(7) . 2_656 ?
O5 Co3 O3 87.26(7) 3_656 2_656 ?
O5 Co3 O3 87.26(7) . 4 ?
O5 Co3 O3 92.74(7) 3_656 4 ?
O3 Co3 O3 180.00(8) 2_656 4 ?
O5 Co3 N6 90.79(8) . . ?
O5 Co3 N6 89.21(8) 3_656 . ?
O3 Co3 N6 91.18(8) 2_656 . ?
O3 Co3 N6 88.82(8) 4 . ?
O5 Co3 N6 89.21(8) . 3_656 ?
O5 Co3 N6 90.79(8) 3_656 3_656 ?
O3 Co3 N6 88.82(8) 2_656 3_656 ?
O3 Co3 N6 91.18(8) 4 3_656 ?
N6 Co3 N6 180.0 . 3_656 ?
O1 C1 O2 127.7(2) . . ?
O1 C1 C2 117.0(2) . . ?
O2 C1 C2 115.3(2) . . ?
C7 C2 C3 118.2(2) . . ?
C7 C2 C1 121.0(2) . . ?
C3 C2 C1 120.7(2) . . ?
C4 C3 C2 120.7(3) . . ?
C4 C3 H3A 119.6 . . ?
C2 C3 H3A 119.6 . . ?
C3 C4 C5 121.7(3) . . ?
C3 C4 H4A 119.1 . . ?
C5 C4 H4A 119.1 . . ?
C4 C5 C6 117.3(2) . . ?
C4 C5 C8 120.8(2) . . ?
C6 C5 C8 121.9(2) . . ?
C7 C6 C5 121.1(3) . . ?
C7 C6 H6A 119.4 . . ?
C5 C6 H6A 119.4 . . ?
C2 C7 C6 120.9(3) . . ?
C2 C7 H7A 119.6 . . ?
C6 C7 H7A 119.6 . . ?
C12 C8 C9 115.6(2) . . ?
C12 C8 C5 122.5(2) . . ?
C9 C8 C5 121.9(2) . . ?
C10 C9 C8 121.4(2) . . ?
C10 C9 H9A 119.3 . . ?
C8 C9 H9A 119.3 . . ?
N1 C10 C9 120.6(2) . . ?
N1 C10 H10A 119.7 . . ?
C9 C10 H10A 119.7 . . ?
N1 C11 C12 119.7(2) . . ?
N1 C11 H11A 120.1 . . ?
C12 C11 H11A 120.1 . . ?
C11 C12 C8 121.9(3) . . ?
C11 C12 H12A 119.0 . . ?
C8 C12 H12A 119.0 . . ?
O4 C13 O5 127.0(2) . . ?
O4 C13 C14 117.2(2) . . ?
O5 C13 C14 115.8(2) . . ?
C15 C14 C19 118.6(2) . . ?
C15 C14 C13 120.1(2) . . ?
C19 C14 C13 121.3(2) . . ?
C14 C15 C16 120.6(2) . . ?
C14 C15 H15A 119.7 . . ?
C16 C15 H15A 119.7 . . ?
C15 C16 C17 121.5(2) . . ?
C15 C16 H16A 119.3 . . ?
C17 C16 H16A 119.3 . . ?
C16 C17 C18 117.3(2) . . ?
C16 C17 C20 120.9(2) . . ?
C18 C17 C20 121.8(2) . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18A 119.4 . . ?
C17 C18 H18A 119.4 . . ?
C18 C19 C14 120.7(3) . . ?
C18 C19 H19A 119.6 . . ?
C14 C19 H19A 119.6 . . ?
C21 C20 C24 116.0(2) . . ?
C21 C20 C17 120.8(2) . . ?
C24 C20 C17 123.2(2) . . ?
C22 C21 C20 121.6(3) . . ?
C22 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
N2 C22 C21 119.5(3) . . ?
N2 C22 H22A 120.2 . . ?
C21 C22 H22A 120.2 . . ?
N2 C23 C24 119.9(2) . . ?
N2 C23 H23A 120.0 . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 C20 121.6(3) . . ?
C23 C24 H24A 119.2 . . ?
C20 C24 H24A 119.2 . . ?
C1 O1 Co1 130.12(16) . . ?
C1 O2 Co2 139.09(18) . . ?
N1 O3 Co3 120.29(16) . 2_646 ?
C13 O4 Co1 127.92(16) . . ?
C13 O5 Co3 137.22(17) . . ?
N2 O6 Co2 118.94(14) . 2_656 ?
Co1 O7 H7B 115.3 . . ?
Co1 O7 H7C 113.5 . . ?
H7B O7 H7C 109.8 . . ?
Co1 O8 H8B 114.7 . . ?
Co1 O8 H8C 103.5 . . ?
H8B O8 H8C 106.6 . . ?
O3 N1 C10 118.6(2) . . ?
O3 N1 C11 120.7(2) . . ?
C10 N1 C11 120.7(2) . . ?
C23 N2 C22 121.4(2) . . ?
C23 N2 O6 119.2(2) . . ?
C22 N2 O6 119.4(2) . . ?
N4 N3 Co2 117.80(17) . . ?
N4 N3 Co1 118.78(17) . . ?
Co2 N3 Co1 123.38(11) . . ?
N5 N4 N3 179.5(3) . . ?
N7 N6 Co1 120.34(18) . . ?
N7 N6 Co3 118.71(18) . . ?
Co1 N6 Co3 120.46(11) . . ?
N8 N7 N6 179.2(3) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.075