# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010



data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 768478'
#TrackingRef 'cocliso.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H36 Co N4 O2, 2(C12 H18 Cl3 Co N2 O)'

_chemical_formula_sum            'C48 H72 Cl6 Co3 N8 O4'
_chemical_formula_weight         1214.63

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   7.842(5)
_cell_length_b                   11.799(5)
_cell_length_c                   32.729(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.930(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     3028(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    53
_cell_measurement_theta_min      12
_cell_measurement_theta_max      20

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1262
_exptl_absorpt_coefficient_mu    1.122
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.8170
_exptl_absorpt_correction_T_max  0.8203
_exptl_absorpt_process_details   'North et. al.,1968'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Siemens P4 diffractometer'
_diffrn_measurement_method       theta-2theta
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            6409
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_sigmaI/netI    0.2074
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.24
_diffrn_reflns_theta_max         25.51
_reflns_number_total             5442
_reflns_number_gt                1879
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Siemens XSCANS'
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_reduction        'SHELXTL-PC (Sheldrick, 1993)'
_computing_structure_solution    'SIR-92 (Altamore et. al., 1992)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
'ORTEP,Mercury(Farrugia,1997;Bruno et.al.,2002)'
_computing_publication_material  'WINGX,(Farrugia, 1999)'

_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^)+(0.1435P)^2^+0.0000P] 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    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5442
_refine_ls_number_parameters     313
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2174
_refine_ls_R_factor_gt           0.0818
_refine_ls_wR_factor_ref         0.2876
_refine_ls_wR_factor_gt          0.2149
_refine_ls_goodness_of_fit_ref   0.869
_refine_ls_restrained_S_all      0.869
_refine_ls_shift/su_max          0.000
_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
C1 C 0.7580(14) 0.0461(9) 0.3427(3) 0.047(3) Uani 1 1 d . . .
H1 H 0.8731 0.0273 0.3424 0.057 Uiso 1 1 calc R . .
C2 C 0.6437(14) -0.0266(10) 0.3258(3) 0.053(3) Uani 1 1 d . . .
H2 H 0.6799 -0.0941 0.3141 0.064 Uiso 1 1 calc R . .
C3 C 0.4749(13) 0.0004(9) 0.3261(3) 0.042(3) Uani 1 1 d . . .
C4 C 0.4213(14) 0.0985(10) 0.3435(3) 0.054(3) Uani 1 1 d . . .
H4 H 0.3062 0.1174 0.3442 0.065 Uiso 1 1 calc R . .
C5 C 0.5452(14) 0.1694(10) 0.3603(3) 0.054(3) Uani 1 1 d . . .
H5 H 0.5105 0.2368 0.3724 0.065 Uiso 1 1 calc R . .
C6 C 0.3417(14) -0.0822(10) 0.3115(3) 0.052(3) Uani 1 1 d . . .
C7 C 0.3939(16) -0.0138(10) 0.2405(3) 0.060(3) Uani 1 1 d . . .
H7 H 0.4728 0.0357 0.2556 0.072 Uiso 1 1 calc R . .
C8 C 0.4980(19) -0.0830(13) 0.2116(4) 0.102(5) Uani 1 1 d . . .
H8A H 0.5760 -0.1299 0.2269 0.153 Uiso 1 1 calc R . .
H8B H 0.5609 -0.0334 0.1941 0.153 Uiso 1 1 calc R . .
H8C H 0.4238 -0.1300 0.1952 0.153 Uiso 1 1 calc R . .
C9 C 0.269(2) 0.0626(13) 0.2171(5) 0.109(6) Uani 1 1 d . . .
H9A H 0.2057 0.1073 0.2361 0.164 Uiso 1 1 calc R . .
H9B H 0.1918 0.0167 0.2011 0.164 Uiso 1 1 calc R . .
H9C H 0.3311 0.1118 0.1993 0.164 Uiso 1 1 calc R . .
C10 C 0.1751(14) -0.1651(9) 0.2546(3) 0.053(3) Uani 1 1 d . . .
H10 H 0.1682 -0.1538 0.2249 0.064 Uiso 1 1 calc R . .
C11 C 0.2291(18) -0.2890(10) 0.2616(5) 0.088(5) Uani 1 1 d . . .
H11A H 0.3405 -0.3008 0.2506 0.132 Uiso 1 1 calc R . .
H11B H 0.1489 -0.3385 0.2481 0.132 Uiso 1 1 calc R . .
H11C H 0.2315 -0.3050 0.2903 0.132 Uiso 1 1 calc R . .
C12 C 0.0009(14) -0.1402(11) 0.2708(4) 0.076(4) Uani 1 1 d . . .
H12A H -0.0272 -0.0622 0.2657 0.114 Uiso 1 1 calc R . .
H12B H 0.0002 -0.1543 0.2997 0.114 Uiso 1 1 calc R . .
H12C H -0.0817 -0.1880 0.2574 0.114 Uiso 1 1 calc R . .
C13 C 1.6182(13) -0.1414(10) 0.5106(3) 0.052(3) Uani 1 1 d . . .
H13 H 1.6624 -0.1496 0.5370 0.062 Uiso 1 1 calc R . .
C14 C 1.4647(12) -0.1913(9) 0.5013(3) 0.047(3) Uani 1 1 d . . .
H14 H 1.4094 -0.2348 0.5208 0.057 Uiso 1 1 calc R . .
C15 C 1.3930(11) -0.1771(8) 0.4632(3) 0.035(2) Uani 1 1 d . . .
C16 C 1.4802(11) -0.1166(8) 0.4355(3) 0.040(2) Uani 1 1 d . . .
H16 H 1.4355 -0.1063 0.4092 0.048 Uiso 1 1 calc R . .
C17 C 1.6364(13) -0.0700(9) 0.4462(3) 0.047(3) Uani 1 1 d . . .
H17 H 1.6946 -0.0289 0.4266 0.057 Uiso 1 1 calc R . .
C18 C 1.2167(12) -0.2163(8) 0.4540(3) 0.036(2) Uani 1 1 d . . .
C19 C 1.3318(14) -0.3936(9) 0.4275(3) 0.050(3) Uani 1 1 d . . .
H19 H 1.4374 -0.3567 0.4369 0.060 Uiso 1 1 calc R . .
C20 C 1.3104(16) -0.5028(10) 0.4527(4) 0.074(4) Uani 1 1 d . . .
H20A H 1.3036 -0.4839 0.4811 0.111 Uiso 1 1 calc R . .
H20B H 1.4066 -0.5516 0.4485 0.111 Uiso 1 1 calc R . .
H20C H 1.2079 -0.5409 0.4441 0.111 Uiso 1 1 calc R . .
C21 C 1.3472(17) -0.4154(11) 0.3825(4) 0.079(4) Uani 1 1 d . . .
H21A H 1.3613 -0.3448 0.3684 0.119 Uiso 1 1 calc R . .
H21B H 1.2458 -0.4525 0.3725 0.119 Uiso 1 1 calc R . .
H21C H 1.4442 -0.4630 0.3778 0.119 Uiso 1 1 calc R . .
C22 C 1.0129(12) -0.3503(9) 0.4248(3) 0.047(3) Uani 1 1 d . . .
H22 H 1.0218 -0.4259 0.4127 0.056 Uiso 1 1 calc R . .
C23 C 0.9011(13) -0.3625(9) 0.4614(3) 0.055(3) Uani 1 1 d . . .
H23A H 0.9548 -0.4123 0.4809 0.083 Uiso 1 1 calc R . .
H23B H 0.7928 -0.3934 0.4531 0.083 Uiso 1 1 calc R . .
H23C H 0.8843 -0.2895 0.4737 0.083 Uiso 1 1 calc R . .
C24 C 0.9328(15) -0.2750(11) 0.3924(3) 0.074(4) Uani 1 1 d . . .
H24A H 1.0067 -0.2707 0.3693 0.110 Uiso 1 1 calc R . .
H24B H 0.9160 -0.2004 0.4033 0.110 Uiso 1 1 calc R . .
H24C H 0.8248 -0.3060 0.3839 0.110 Uiso 1 1 calc R . .
N1 N 0.7103(11) 0.1459(7) 0.3601(2) 0.045(2) Uani 1 1 d . . .
N2 N 0.3093(10) -0.0863(7) 0.2705(2) 0.043(2) Uani 1 1 d . . .
N3 N 1.7085(10) -0.0809(7) 0.4834(3) 0.043(2) Uani 1 1 d . . .
N4 N 1.1887(10) -0.3159(7) 0.4365(2) 0.042(2) Uani 1 1 d . . .
O1 O 0.2714(11) -0.1408(8) 0.3363(2) 0.080(3) Uani 1 1 d . . .
O2 O 1.0996(8) -0.1503(6) 0.4638(2) 0.0496(19) Uani 1 1 d . . .
Cl2 Cl 0.7500(5) 0.3796(3) 0.42004(13) 0.1020(14) Uani 1 1 d . . .
Cl3 Cl 1.0741(4) 0.3047(3) 0.34023(10) 0.0788(11) Uani 1 1 d . . .
Co2 Co 0.89314(18) 0.24786(13) 0.38739(4) 0.0460(4) Uani 1 1 d . . .
Co1 Co 1.0000 0.0000 0.5000 0.0793(9) Uani 1 2 d S . .
Cl1 Cl 1.0214(4) 0.1135(3) 0.42750(10) 0.0883(12) 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
C1 0.044(7) 0.053(7) 0.045(6) -0.012(5) 0.000(5) 0.010(6)
C2 0.053(8) 0.062(8) 0.045(6) -0.018(6) -0.008(6) -0.004(6)
C3 0.050(7) 0.046(7) 0.032(5) -0.004(5) 0.009(5) -0.010(6)
C4 0.048(7) 0.058(8) 0.056(7) -0.004(6) -0.009(6) -0.002(6)
C5 0.053(7) 0.053(7) 0.057(7) -0.007(6) 0.001(6) 0.009(6)
C6 0.053(7) 0.065(8) 0.036(6) -0.018(6) 0.003(5) -0.012(6)
C7 0.079(9) 0.063(8) 0.038(6) -0.003(6) 0.007(6) -0.028(7)
C8 0.108(12) 0.126(14) 0.073(10) -0.009(10) 0.034(9) -0.014(11)
C9 0.127(14) 0.090(11) 0.110(13) 0.046(10) -0.026(11) -0.001(11)
C10 0.059(7) 0.058(8) 0.042(6) -0.015(6) -0.002(5) -0.002(6)
C11 0.082(10) 0.056(9) 0.126(12) -0.019(8) -0.004(9) -0.012(8)
C12 0.053(8) 0.082(10) 0.094(10) -0.020(8) 0.007(7) -0.012(8)
C13 0.045(7) 0.074(8) 0.036(6) 0.000(6) -0.006(5) 0.013(6)
C14 0.034(6) 0.055(7) 0.052(7) -0.002(6) 0.005(5) -0.008(5)
C15 0.026(5) 0.039(6) 0.041(6) -0.006(5) -0.004(4) -0.011(5)
C16 0.028(5) 0.051(7) 0.040(6) 0.000(5) -0.008(4) -0.010(5)
C17 0.047(7) 0.049(7) 0.045(6) 0.004(5) -0.003(5) -0.010(6)
C18 0.027(5) 0.043(6) 0.037(5) 0.000(5) 0.006(4) -0.008(5)
C19 0.049(7) 0.043(7) 0.060(7) -0.010(6) 0.014(5) 0.010(6)
C20 0.067(9) 0.073(9) 0.082(9) 0.011(7) 0.013(7) 0.027(7)
C21 0.087(10) 0.085(10) 0.066(8) -0.022(7) 0.023(7) 0.015(8)
C22 0.042(6) 0.036(6) 0.063(7) -0.013(5) 0.008(6) -0.017(5)
C23 0.048(7) 0.039(6) 0.079(8) -0.011(6) 0.011(6) -0.006(6)
C24 0.060(8) 0.097(11) 0.064(8) -0.010(8) -0.011(6) -0.025(8)
N1 0.044(6) 0.047(6) 0.044(5) 0.005(4) -0.001(4) -0.003(5)
N2 0.040(5) 0.045(5) 0.045(5) -0.007(4) 0.001(4) -0.013(4)
N3 0.036(5) 0.047(5) 0.046(5) -0.006(4) 0.001(4) -0.008(4)
N4 0.046(5) 0.032(5) 0.049(5) -0.009(4) 0.011(4) -0.005(4)
O1 0.096(7) 0.097(7) 0.047(5) 0.005(5) 0.012(5) -0.063(6)
O2 0.035(4) 0.040(4) 0.074(5) -0.013(4) 0.011(4) -0.005(4)
Cl2 0.097(3) 0.072(2) 0.138(4) -0.048(2) 0.043(3) -0.020(2)
Cl3 0.060(2) 0.103(3) 0.074(2) 0.036(2) 0.0098(17) -0.0040(19)
Co2 0.0489(9) 0.0453(8) 0.0437(8) -0.0007(8) -0.0020(6) -0.0090(8)
Co1 0.0776(18) 0.0747(19) 0.0851(19) -0.0052(15) -0.0092(15) -0.0015(15)
Cl1 0.084(2) 0.103(3) 0.077(2) 0.047(2) -0.0379(19) -0.028(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
C1 C2 1.352(13) . ?
C1 N1 1.363(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.362(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.360(14) . ?
C3 C6 1.501(14) . ?
C4 C5 1.389(14) . ?
C4 H4 0.9300 . ?
C5 N1 1.324(13) . ?
C5 H5 0.9300 . ?
C6 O1 1.206(12) . ?
C6 N2 1.362(12) . ?
C7 N2 1.469(12) . ?
C7 C8 1.502(16) . ?
C7 C9 1.527(17) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 N2 1.492(12) . ?
C10 C12 1.503(14) . ?
C10 C11 1.537(16) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 N3 1.350(13) . ?
C13 C14 1.370(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.371(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.349(12) . ?
C15 C18 1.484(12) . ?
C16 C17 1.384(12) . ?
C16 H16 0.9300 . ?
C17 N3 1.340(12) . ?
C17 H17 0.9300 . ?
C18 O2 1.250(11) . ?
C18 N4 1.324(11) . ?
C19 N4 1.482(12) . ?
C19 C21 1.502(15) . ?
C19 C20 1.540(15) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N4 1.481(12) . ?
C22 C23 1.503(13) . ?
C22 C24 1.514(15) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N1 Co2 2.064(8) . ?
O2 Co1 2.278(7) . ?
Cl2 Co2 2.204(4) . ?
Cl3 Co2 2.217(3) . ?
Co2 Cl1 2.282(4) . ?
Co1 O2 2.278(7) 3_756 ?
Co1 Cl1 2.732(3) . ?
Co1 Cl1 2.732(3) 3_756 ?

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
C2 C1 N1 122.3(10) . . ?
C2 C1 H1 118.8 . . ?
N1 C1 H1 118.8 . . ?
C1 C2 C3 119.1(10) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.6(10) . . ?
C4 C3 C6 117.9(10) . . ?
C2 C3 C6 121.2(10) . . ?
C3 C4 C5 117.4(10) . . ?
C3 C4 H4 121.3 . . ?
C5 C4 H4 121.3 . . ?
N1 C5 C4 123.3(10) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
O1 C6 N2 124.2(10) . . ?
O1 C6 C3 118.8(9) . . ?
N2 C6 C3 117.0(10) . . ?
N2 C7 C8 111.1(10) . . ?
N2 C7 C9 112.7(10) . . ?
C8 C7 C9 110.9(11) . . ?
N2 C7 H7 107.3 . . ?
C8 C7 H7 107.3 . . ?
C9 C7 H7 107.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C12 113.2(9) . . ?
N2 C10 C11 110.4(9) . . ?
C12 C10 C11 112.6(11) . . ?
N2 C10 H10 106.7 . . ?
C12 C10 H10 106.7 . . ?
C11 C10 H10 106.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 123.3(10) . . ?
N3 C13 H13 118.3 . . ?
C14 C13 H13 118.3 . . ?
C13 C14 C15 119.7(10) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 118.2(9) . . ?
C16 C15 C18 120.7(8) . . ?
C14 C15 C18 120.8(9) . . ?
C15 C16 C17 119.7(9) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
N3 C17 C16 123.5(9) . . ?
N3 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
O2 C18 N4 123.1(9) . . ?
O2 C18 C15 116.1(8) . . ?
N4 C18 C15 120.8(9) . . ?
N4 C19 C21 111.9(9) . . ?
N4 C19 C20 108.8(9) . . ?
C21 C19 C20 113.1(10) . . ?
N4 C19 H19 107.6 . . ?
C21 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C22 C23 111.9(8) . . ?
N4 C22 C24 113.2(9) . . ?
C23 C22 C24 112.0(9) . . ?
N4 C22 H22 106.4 . . ?
C23 C22 H22 106.4 . . ?
C24 C22 H22 106.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 N1 C1 117.3(9) . . ?
C5 N1 Co2 123.2(8) . . ?
C1 N1 Co2 119.4(7) . . ?
C6 N2 C7 124.0(8) . . ?
C6 N2 C10 119.0(8) . . ?
C7 N2 C10 117.0(8) . . ?
C17 N3 C13 115.6(8) . . ?
C18 N4 C22 120.1(8) . . ?
C18 N4 C19 120.9(8) . . ?
C22 N4 C19 119.0(8) . . ?
C18 O2 Co1 151.4(6) . . ?
N1 Co2 Cl2 105.4(3) . . ?
N1 Co2 Cl3 108.9(3) . . ?
Cl2 Co2 Cl3 117.45(16) . . ?
N1 Co2 Cl1 98.0(3) . . ?
Cl2 Co2 Cl1 115.75(17) . . ?
Cl3 Co2 Cl1 109.24(14) . . ?
O2 Co1 O2 180.0(3) 3_756 . ?
O2 Co1 Cl1 95.5(2) 3_756 . ?
O2 Co1 Cl1 84.5(2) . . ?
O2 Co1 Cl1 84.5(2) 3_756 3_756 ?
O2 Co1 Cl1 95.5(2) . 3_756 ?
Cl1 Co1 Cl1 180.000(1) . 3_756 ?
Co2 Cl1 Co1 143.86(19) . . ?

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
N1 C1 C2 C3 0.1(16) . . . . ?
C1 C2 C3 C4 -0.8(16) . . . . ?
C1 C2 C3 C6 -173.9(10) . . . . ?
C2 C3 C4 C5 0.8(16) . . . . ?
C6 C3 C4 C5 174.1(10) . . . . ?
C3 C4 C5 N1 -0.1(17) . . . . ?
C4 C3 C6 O1 -77.5(15) . . . . ?
C2 C3 C6 O1 95.8(13) . . . . ?
C4 C3 C6 N2 103.1(11) . . . . ?
C2 C3 C6 N2 -83.7(13) . . . . ?
N3 C13 C14 C15 -2.6(17) . . . . ?
C13 C14 C15 C16 2.2(16) . . . . ?
C13 C14 C15 C18 -171.4(9) . . . . ?
C14 C15 C16 C17 -0.8(15) . . . . ?
C18 C15 C16 C17 172.8(9) . . . . ?
C15 C16 C17 N3 -0.3(16) . . . . ?
C16 C15 C18 O2 -90.1(12) . . . . ?
C14 C15 C18 O2 83.3(12) . . . . ?
C16 C15 C18 N4 89.9(12) . . . . ?
C14 C15 C18 N4 -96.7(12) . . . . ?
C4 C5 N1 C1 -0.6(16) . . . . ?
C4 C5 N1 Co2 -177.2(8) . . . . ?
C2 C1 N1 C5 0.6(15) . . . . ?
C2 C1 N1 Co2 177.3(8) . . . . ?
O1 C6 N2 C7 179.3(12) . . . . ?
C3 C6 N2 C7 -1.3(15) . . . . ?
O1 C6 N2 C10 2.0(17) . . . . ?
C3 C6 N2 C10 -178.6(9) . . . . ?
C8 C7 N2 C6 116.4(12) . . . . ?
C9 C7 N2 C6 -118.5(12) . . . . ?
C8 C7 N2 C10 -66.3(13) . . . . ?
C9 C7 N2 C10 58.8(13) . . . . ?
C12 C10 N2 C6 60.9(13) . . . . ?
C11 C10 N2 C6 -66.4(13) . . . . ?
C12 C10 N2 C7 -116.5(11) . . . . ?
C11 C10 N2 C7 116.2(11) . . . . ?
C16 C17 N3 C13 0.0(15) . . . . ?
C14 C13 N3 C17 1.4(15) . . . . ?
O2 C18 N4 C22 4.4(14) . . . . ?
C15 C18 N4 C22 -175.6(9) . . . . ?
O2 C18 N4 C19 -176.7(9) . . . . ?
C15 C18 N4 C19 3.3(13) . . . . ?
C23 C22 N4 C18 -63.9(12) . . . . ?
C24 C22 N4 C18 63.9(12) . . . . ?
C23 C22 N4 C19 117.2(10) . . . . ?
C24 C22 N4 C19 -115.0(10) . . . . ?
C21 C19 N4 C18 -117.7(11) . . . . ?
C20 C19 N4 C18 116.6(10) . . . . ?
C21 C19 N4 C22 61.2(13) . . . . ?
C20 C19 N4 C22 -64.5(12) . . . . ?
N4 C18 O2 Co1 161.7(9) . . . . ?
C15 C18 O2 Co1 -18.3(18) . . . . ?
C5 N1 Co2 Cl2 6.5(9) . . . . ?
C1 N1 Co2 Cl2 -170.0(7) . . . . ?
C5 N1 Co2 Cl3 -120.3(8) . . . . ?
C1 N1 Co2 Cl3 63.2(7) . . . . ?
C5 N1 Co2 Cl1 126.1(8) . . . . ?
C1 N1 Co2 Cl1 -50.4(7) . . . . ?
C18 O2 Co1 O2 0(100) . . . 3_756 ?
C18 O2 Co1 Cl1 103.5(14) . . . . ?
C18 O2 Co1 Cl1 -76.5(14) . . . 3_756 ?
N1 Co2 Cl1 Co1 -82.6(4) . . . . ?
Cl2 Co2 Cl1 Co1 28.9(3) . . . . ?
Cl3 Co2 Cl1 Co1 164.1(2) . . . . ?
O2 Co1 Cl1 Co2 -36.6(3) 3_756 . . . ?
O2 Co1 Cl1 Co2 143.4(3) . . . . ?
Cl1 Co1 Cl1 Co2 -64(100) 3_756 . . . ?

_diffrn_measured_fraction_theta_max 0.963
_diffrn_reflns_theta_full        25.51
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         0.574
_refine_diff_density_min         -1.857
_refine_diff_density_rms         0.169