# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_mo_data_0m_a

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H30 Co3 N20 O4'
_chemical_formula_sum            'C28 H30 Co3 N20 O4'
_chemical_formula_weight         887.51

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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'

_cell_length_a                   6.6673(5)
_cell_length_b                   21.2751(15)
_cell_length_c                   13.0771(9)
_cell_angle_alpha                90
_cell_angle_beta                 102.492(2)
_cell_angle_gamma                90
_cell_volume                     1811.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    2021
_cell_measurement_theta_min      3.1847
_cell_measurement_theta_max      31.4185

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_F_000             902
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.176
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.131
_exptl_absorpt_coefficient_mu    1.424
_shelx_estimated_absorpt_T_min   0.788
_shelx_estimated_absorpt_T_max   0.835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21478
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.860
_diffrn_reflns_theta_max         26.365
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3708
_reflns_number_gt                3442
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 (Bruker, 2011)'
_computing_cell_refinement       'SAINT V8.30C (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.30C (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2010)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2011)'

_refine_special_details          
;
From .ins file:

DFIX 0.84 O1 H1 O2 H2A O2 H2B
DFIX 0.88 N1 H1A N1 H1B N10 H10A N10 H10B

The restraints used were to fix the OH and NH bond distances
;
_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0219P)²+1.7561P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3708
_refine_ls_number_parameters     271
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0552
_refine_ls_wR_factor_gt          0.0543
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.003
_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_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 1.5000 0.5000 1.0000 0.00631(7) Uani 1 2 d S . P . .
Co2 Co 0.98249(3) 0.56695(2) 0.95344(2) 0.00686(6) Uani 1 1 d . . . . .
O1 O 1.21342(16) 0.51220(5) 1.05013(8) 0.0080(2) Uani 1 1 d D . . . .
H1 H 1.234(3) 0.5249(9) 1.1087(12) 0.010 Uiso 1 1 d D U . . .
O2 O 0.76923(18) 0.60969(6) 0.82694(9) 0.0137(2) Uani 1 1 d D . . . .
H2A H 0.666(3) 0.5882(9) 0.8080(16) 0.016 Uiso 1 1 d D U . . .
H2B H 0.827(3) 0.6065(10) 0.7793(14) 0.016 Uiso 1 1 d D U . . .
N1 N 1.2364(3) 0.58064(8) 0.25847(12) 0.0198(3) Uani 1 1 d D . . . .
H1A H 1.127(3) 0.6013(10) 0.2196(16) 0.024 Uiso 1 1 d D U . . .
H1B H 1.360(3) 0.5897(10) 0.2415(16) 0.024 Uiso 1 1 d D U . . .
N2 N 1.0758(2) 0.56393(7) 0.73302(11) 0.0165(3) Uani 1 1 d . . . . .
N3 N 1.1414(2) 0.54858(7) 0.83340(11) 0.0135(3) Uani 1 1 d . . . . .
N4 N 1.4103(2) 0.54462(7) 0.76477(11) 0.0164(3) Uani 1 1 d . . . . .
N5 N 1.3453(2) 0.53847(7) 0.85363(11) 0.0137(3) Uani 1 1 d . . . . .
N6 N 0.8158(2) 0.60539(6) 1.06103(10) 0.0101(3) Uani 1 1 d . . . . .
N7 N 0.6325(2) 0.58591(6) 1.06858(10) 0.0101(3) Uani 1 1 d . . . . .
N8 N 0.8684(2) 0.65639(6) 1.12200(11) 0.0120(3) Uani 1 1 d . . . . .
N9 N 0.5602(2) 0.62281(7) 1.13546(11) 0.0127(3) Uani 1 1 d . . . . .
N10 N 0.6601(2) 0.84430(6) 1.48558(11) 0.0106(3) Uani 1 1 d D . . . .
H10A H 0.784(2) 0.8538(9) 1.5208(14) 0.013 Uiso 1 1 d D U . . .
H10B H 0.597(3) 0.8261(9) 1.5286(14) 0.013 Uiso 1 1 d D U . . .
C1 C 1.2396(3) 0.58029(9) 0.36583(14) 0.0186(4) Uani 1 1 d . . . . .
C2 C 1.0561(3) 0.58174(10) 0.40109(14) 0.0236(4) Uani 1 1 d . . . . .
H2 H 0.9290 0.5859 0.3520 0.028 Uiso 1 1 calc R U . . .
C3 C 1.4237(3) 0.57632(11) 0.43946(15) 0.0279(5) Uani 1 1 d . . . . .
H3 H 1.5499 0.5770 0.4169 0.033 Uiso 1 1 calc R U . . .
C4 C 1.0582(3) 0.57715(10) 0.50691(15) 0.0234(4) Uani 1 1 d . . . . .
H4 H 0.9323 0.5783 0.5297 0.028 Uiso 1 1 calc R U . . .
C5 C 1.4256(3) 0.57141(11) 0.54540(15) 0.0267(4) Uani 1 1 d . . . . .
H5 H 1.5530 0.5683 0.5945 0.032 Uiso 1 1 calc R U . . .
C6 C 1.2426(3) 0.57091(9) 0.58060(14) 0.0184(4) Uani 1 1 d . . . . .
C7 C 1.2437(3) 0.56099(8) 0.69131(13) 0.0141(3) Uani 1 1 d . . . . .
C8 C 0.7083(2) 0.66605(8) 1.16696(12) 0.0113(3) Uani 1 1 d . . . . .
C9 C 0.6961(3) 0.71522(8) 1.24459(13) 0.0130(3) Uani 1 1 d . . . . .
C10 C 0.8614(3) 0.75462(8) 1.28424(14) 0.0152(3) Uani 1 1 d . . . . .
H10 H 0.9823 0.7521 1.2571 0.018 Uiso 1 1 calc R U . . .
C11 C 0.5176(3) 0.72077(8) 1.28335(14) 0.0185(4) Uani 1 1 d . . . . .
H11 H 0.4020 0.6952 1.2551 0.022 Uiso 1 1 calc R U . . .
C12 C 0.8512(3) 0.79749(8) 1.36306(13) 0.0148(3) Uani 1 1 d . . . . .
H12 H 0.9646 0.8243 1.3893 0.018 Uiso 1 1 calc R U . . .
C13 C 0.5069(3) 0.76306(8) 1.36243(14) 0.0172(4) Uani 1 1 d . . . . .
H13 H 0.3850 0.7661 1.3886 0.021 Uiso 1 1 calc R U . . .
C14 C 0.6749(3) 0.80112(7) 1.40355(12) 0.0114(3) Uani 1 1 d . . . . .


_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 N5 2.1315(14) . ?
Co1 N5 2.1315(14) 3_867 ?
Co1 N7 2.1406(14) 3_767 ?
Co1 N7 2.1406(14) 1_655 ?
Co1 O1 2.1655(11) 3_867 ?
Co1 O1 2.1656(11) . ?
Co2 N3 2.1116(14) . ?
Co2 O1 2.1175(11) . ?
Co2 O1 2.1252(11) 3_767 ?
Co2 N6 2.1354(13) . ?
Co2 O2 2.1372(12) . ?
Co2 N10 2.2202(14) 4_675 ?
O1 Co2 2.1253(11) 3_767 ?
O1 H1 0.796(15) . ?
O2 H2A 0.820(16) . ?
O2 H2B 0.804(15) . ?
N1 C1 1.400(2) . ?
N1 H1A 0.909(16) . ?
N1 H1B 0.918(16) . ?
N2 N3 1.331(2) . ?
N2 C7 1.349(2) . ?
N3 N5 1.345(2) . ?
N4 N5 1.3316(19) . ?
N4 C7 1.348(2) . ?
N6 N7 1.3142(19) . ?
N6 N8 1.3473(19) . ?
N7 N9 1.3400(19) . ?
N7 Co1 2.1407(13) 1_455 ?
N8 C8 1.341(2) . ?
N9 C8 1.347(2) . ?
N10 C14 1.432(2) . ?
N10 Co2 2.2202(14) 4_576 ?
N10 H10A 0.878(15) . ?
N10 H10B 0.863(15) . ?
C1 C3 1.389(3) . ?
C1 C2 1.397(3) . ?
C2 C4 1.384(3) . ?
C2 H2 0.9500 . ?
C3 C5 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C6 1.394(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.462(2) . ?
C8 C9 1.472(2) . ?
C9 C10 1.392(2) . ?
C9 C11 1.396(2) . ?
C10 C12 1.389(2) . ?
C10 H10 0.9500 . ?
C11 C13 1.384(2) . ?
C11 H11 0.9500 . ?
C12 C14 1.392(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(2) . ?
C13 H13 0.9500 . ?

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
N5 Co1 N5 180.0 . 3_867 ?
N5 Co1 N7 82.88(5) . 3_767 ?
N5 Co1 N7 97.12(5) 3_867 3_767 ?
N5 Co1 N7 97.12(5) . 1_655 ?
N5 Co1 N7 82.88(5) 3_867 1_655 ?
N7 Co1 N7 180.00(4) 3_767 1_655 ?
N5 Co1 O1 93.52(5) . 3_867 ?
N5 Co1 O1 86.48(5) 3_867 3_867 ?
N7 Co1 O1 94.71(5) 3_767 3_867 ?
N7 Co1 O1 85.29(5) 1_655 3_867 ?
N5 Co1 O1 86.48(5) . . ?
N5 Co1 O1 93.52(5) 3_867 . ?
N7 Co1 O1 85.29(5) 3_767 . ?
N7 Co1 O1 94.71(5) 1_655 . ?
O1 Co1 O1 180.0 3_867 . ?
N3 Co2 O1 85.71(5) . . ?
N3 Co2 O1 104.00(5) . 3_767 ?
O1 Co2 O1 86.64(4) . 3_767 ?
N3 Co2 N6 167.69(5) . . ?
O1 Co2 N6 103.42(5) . . ?
O1 Co2 N6 85.00(5) 3_767 . ?
N3 Co2 O2 81.96(5) . . ?
O1 Co2 O2 166.48(5) . . ?
O1 Co2 O2 90.99(5) 3_767 . ?
N6 Co2 O2 89.60(5) . . ?
N3 Co2 N10 88.01(5) . 4_675 ?
O1 Co2 N10 93.76(5) . 4_675 ?
O1 Co2 N10 167.98(5) 3_767 4_675 ?
N6 Co2 N10 83.22(5) . 4_675 ?
O2 Co2 N10 91.32(5) . 4_675 ?
Co2 O1 Co2 93.36(4) . 3_767 ?
Co2 O1 Co1 117.41(5) . . ?
Co2 O1 Co1 118.47(5) 3_767 . ?
Co2 O1 H1 109.9(14) . . ?
Co2 O1 H1 105.6(14) 3_767 . ?
Co1 O1 H1 110.5(14) . . ?
Co2 O2 H2A 111.8(15) . . ?
Co2 O2 H2B 102.3(15) . . ?
H2A O2 H2B 103(2) . . ?
C1 N1 H1A 113.5(14) . . ?
C1 N1 H1B 115.1(14) . . ?
H1A N1 H1B 114.6(19) . . ?
N3 N2 C7 105.24(14) . . ?
N2 N3 N5 109.62(13) . . ?
N2 N3 Co2 125.23(11) . . ?
N5 N3 Co2 122.12(10) . . ?
N5 N4 C7 105.88(14) . . ?
N4 N5 N3 108.58(13) . . ?
N4 N5 Co1 129.48(11) . . ?
N3 N5 Co1 120.67(10) . . ?
N7 N6 N8 109.69(12) . . ?
N7 N6 Co2 123.62(10) . . ?
N8 N6 Co2 126.33(10) . . ?
N6 N7 N9 109.61(12) . . ?
N6 N7 Co1 122.96(10) . 1_455 ?
N9 N7 Co1 126.84(10) . 1_455 ?
C8 N8 N6 104.64(13) . . ?
N7 N9 C8 104.87(13) . . ?
C14 N10 Co2 121.61(10) . 4_576 ?
C14 N10 H10A 109.4(13) . . ?
Co2 N10 H10A 107.8(13) 4_576 . ?
C14 N10 H10B 108.8(13) . . ?
Co2 N10 H10B 101.0(13) 4_576 . ?
H10A N10 H10B 107.3(18) . . ?
C3 C1 C2 118.55(17) . . ?
C3 C1 N1 120.97(17) . . ?
C2 C1 N1 120.45(17) . . ?
C4 C2 C1 120.53(17) . . ?
C4 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C5 C3 C1 120.84(18) . . ?
C5 C3 H3 119.6 . . ?
C1 C3 H3 119.6 . . ?
C2 C4 C6 120.95(17) . . ?
C2 C4 H4 119.5 . . ?
C6 C4 H4 119.5 . . ?
C3 C5 C6 120.73(18) . . ?
C3 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C4 118.33(17) . . ?
C5 C6 C7 120.73(16) . . ?
C4 C6 C7 120.87(16) . . ?
N4 C7 N2 110.62(15) . . ?
N4 C7 C6 124.75(15) . . ?
N2 C7 C6 124.56(15) . . ?
N8 C8 N9 111.18(14) . . ?
N8 C8 C9 125.39(15) . . ?
N9 C8 C9 123.37(15) . . ?
C10 C9 C11 118.83(15) . . ?
C10 C9 C8 121.82(15) . . ?
C11 C9 C8 119.29(15) . . ?
C12 C10 C9 120.67(15) . . ?
C12 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C13 C11 C9 120.79(16) . . ?
C13 C11 H11 119.6 . . ?
C9 C11 H11 119.6 . . ?
C10 C12 C14 119.96(16) . . ?
C10 C12 H12 120.0 . . ?
C14 C12 H12 120.0 . . ?
C11 C13 C14 119.97(16) . . ?
C11 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C14 C13 119.72(15) . . ?
C12 C14 N10 121.41(15) . . ?
C13 C14 N10 118.86(15) . . ?

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
C7 N2 N3 N5 1.93(18) . . . . ?
C7 N2 N3 Co2 162.45(12) . . . . ?
C7 N4 N5 N3 2.31(18) . . . . ?
C7 N4 N5 Co1 169.25(12) . . . . ?
N2 N3 N5 N4 -2.72(18) . . . . ?
Co2 N3 N5 N4 -163.95(11) . . . . ?
N2 N3 N5 Co1 -171.02(11) . . . . ?
Co2 N3 N5 Co1 27.75(17) . . . . ?
N8 N6 N7 N9 -0.79(17) . . . . ?
Co2 N6 N7 N9 -174.18(10) . . . . ?
N8 N6 N7 Co1 -172.53(10) . . . 1_455 ?
Co2 N6 N7 Co1 14.08(17) . . . 1_455 ?
N7 N6 N8 C8 0.51(17) . . . . ?
Co2 N6 N8 C8 173.68(11) . . . . ?
N6 N7 N9 C8 0.71(17) . . . . ?
Co1 N7 N9 C8 172.05(11) 1_455 . . . ?
C3 C1 C2 C4 -2.2(3) . . . . ?
N1 C1 C2 C4 175.65(19) . . . . ?
C2 C1 C3 C5 2.5(3) . . . . ?
N1 C1 C3 C5 -175.3(2) . . . . ?
C1 C2 C4 C6 -0.1(3) . . . . ?
C1 C3 C5 C6 -0.6(3) . . . . ?
C3 C5 C6 C4 -1.7(3) . . . . ?
C3 C5 C6 C7 175.4(2) . . . . ?
C2 C4 C6 C5 2.0(3) . . . . ?
C2 C4 C6 C7 -175.02(18) . . . . ?
N5 N4 C7 N2 -1.13(19) . . . . ?
N5 N4 C7 C6 -178.09(16) . . . . ?
N3 N2 C7 N4 -0.49(19) . . . . ?
N3 N2 C7 C6 176.48(16) . . . . ?
C5 C6 C7 N4 -8.0(3) . . . . ?
C4 C6 C7 N4 168.92(18) . . . . ?
C5 C6 C7 N2 175.41(18) . . . . ?
C4 C6 C7 N2 -7.6(3) . . . . ?
N6 N8 C8 N9 -0.06(18) . . . . ?
N6 N8 C8 C9 177.22(15) . . . . ?
N7 N9 C8 N8 -0.39(18) . . . . ?
N7 N9 C8 C9 -177.74(15) . . . . ?
N8 C8 C9 C10 -4.4(3) . . . . ?
N9 C8 C9 C10 172.54(16) . . . . ?
N8 C8 C9 C11 178.62(17) . . . . ?
N9 C8 C9 C11 -4.4(3) . . . . ?
C11 C9 C10 C12 1.8(3) . . . . ?
C8 C9 C10 C12 -175.19(16) . . . . ?
C10 C9 C11 C13 -2.3(3) . . . . ?
C8 C9 C11 C13 174.79(16) . . . . ?
C9 C10 C12 C14 0.3(3) . . . . ?
C9 C11 C13 C14 0.6(3) . . . . ?
C10 C12 C14 C13 -2.0(3) . . . . ?
C10 C12 C14 N10 179.32(15) . . . . ?
C11 C13 C14 C12 1.6(3) . . . . ?
C11 C13 C14 N10 -179.75(16) . . . . ?
Co2 N10 C14 C12 102.87(16) 4_576 . . . ?
Co2 N10 C14 C13 -75.80(18) 4_576 . . . ?

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
O1 H1 N1 0.796(15) 2.286(15) 3.0636(19) 165.6(19) 1_556
O2 H2B N2 0.804(15) 2.090(18) 2.7784(19) 144(2) .
O2 H2A N4 0.820(16) 1.914(16) 2.7317(19) 175(2) 1_455

_refine_diff_density_max         0.626
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.057

_shelxl_version_number           2013-4

_database_code_depnum_ccdc_archive 'CCDC 986370'
