# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


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#                 Cambridge Crystallographic Data Centre
#                                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. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
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#  except for the purpose of generating routine backup copies 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 837840'
#TrackingRef '- 1.cif'

_database_code_depnum_ccdc_archive 'CCDC 837840'
#TrackingRef '- Crystal Data.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H48 Co8 N6 O27'
_chemical_formula_weight         1588.34

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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   P4(2)/mbc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z+1/2'
'y, -x, z+1/2'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z-1/2'
'-y, x, -z-1/2'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'

_cell_length_a                   19.244(3)
_cell_length_b                   19.244(3)
_cell_length_c                   16.406(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6076.1(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    45173
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3192
_exptl_absorpt_coefficient_mu    2.214
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_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  SCX-MINI
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            47666
_diffrn_reflns_av_R_equivalents  0.1379
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.99
_diffrn_reflns_theta_max         25.01
_reflns_number_total             2780
_reflns_number_gt                2413
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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.The are some restraints were
used to treat the disorder The SHELXTL instructions are:
dfix 1.5 .01 c7 c8 c7 c8'
sadi .01 c7 c9 c7 c12 c7 c9' c7 c12'
dfix 1.24 .01 c7 o3
dfix 1.5 .01 c7 c8
dfix 1.39 .01 c8 c9 c9 c10 c10 n2 n2 c11 c11 c12 c12 c8
eadp c8 c8'
eadp c9 c9' c12 c12'
eadp c10 c10' c11 c11'
eadp n2 n2'
isor .01 c8 > last
;

_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^)+(0.0552P)^2^+38.8967P] 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         2780
_refine_ls_number_parameters     217
_refine_ls_number_restraints     94
_refine_ls_R_factor_all          0.1054
_refine_ls_R_factor_gt           0.0872
_refine_ls_wR_factor_ref         0.1764
_refine_ls_wR_factor_gt          0.1693
_refine_ls_goodness_of_fit_ref   1.352
_refine_ls_restrained_S_all      1.332
_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
Co1 Co 0.27806(5) 0.91793(5) 0.89704(6) 0.0165(3) Uani 1 1 d . . .
Co2 Co 0.41514(5) 0.99674(5) 0.81139(6) 0.0151(3) Uani 1 1 d . . .
O1 O 0.2394(3) 1.0070(3) 0.8395(3) 0.0229(12) Uani 1 1 d . . .
O2 O 0.3344(3) 1.0656(3) 0.7989(3) 0.0224(13) Uani 1 1 d . . .
O4 O 0.3464(3) 0.9099(3) 0.7928(3) 0.0182(12) Uani 1 1 d . . .
O5 O 0.3756(3) 0.9773(3) 0.9321(3) 0.0209(12) Uani 1 1 d . . .
O6 O 0.2284(4) 0.9348(4) 1.0000 0.0221(18) Uani 1 2 d S . .
N1 N 0.1426(3) 1.1982(3) 0.6646(4) 0.0238(15) Uani 1 1 d . . .
C1 C 0.2699(4) 1.0541(4) 0.8017(5) 0.0174(17) Uani 1 1 d . . .
C2 C 0.2248(4) 1.1049(4) 0.7544(5) 0.0195(17) Uani 1 1 d . . .
C3 C 0.1540(5) 1.1093(5) 0.7669(6) 0.040(2) Uani 1 1 d . . .
H3A H 0.1324 1.0810 0.8052 0.048 Uiso 1 1 calc R . .
C4 C 0.1158(5) 1.1563(5) 0.7221(6) 0.043(3) Uani 1 1 d . . .
H4A H 0.0683 1.1591 0.7323 0.052 Uiso 1 1 calc R . .
C5 C 0.2105(4) 1.1917(5) 0.6523(5) 0.032(2) Uani 1 1 d . . .
H5A H 0.2306 1.2193 0.6122 0.038 Uiso 1 1 calc R . .
C6 C 0.2530(4) 1.1471(5) 0.6946(5) 0.030(2) Uani 1 1 d . . .
H6A H 0.3003 1.1452 0.6831 0.037 Uiso 1 1 calc R . .
C7 C 0.3453(5) 0.8027(5) 1.0000 0.020(2) Uani 1 2 d SD . .
C13 C 0.3573(4) 0.8573(4) 0.7500 0.016(2) Uani 1 2 d S . .
H13A H 0.3232 0.8232 0.7500 0.020 Uiso 1 2 calc SR . .
C14 C 0.3993(5) 0.9944(6) 1.0000 0.017(2) Uani 1 2 d S . .
H14A H 0.4385 1.0227 1.0000 0.021 Uiso 1 2 calc SR . .
C15 C 0.1559(10) 0.9552(13) 1.0000 0.094(7) Uani 1 2 d S . .
H15A H 0.1290 0.9210 0.9714 0.141 Uiso 0.50 1 calc PR . .
H15B H 0.1510 0.9994 0.9735 0.141 Uiso 0.50 1 calc PR . .
H15C H 0.1396 0.9587 1.0552 0.141 Uiso 0.50 1 calc PR . .
O7 O 0.4325(2) 1.0029(3) 0.6836(3) 0.0156(11) Uani 1 1 d . . .
C16 C 0.3747(4) 1.0042(4) 0.6303(5) 0.0269(19) Uani 1 1 d . . .
H16A H 0.3812 0.9704 0.5879 0.040 Uiso 1 1 calc R . .
H16B H 0.3705 1.0496 0.6065 0.040 Uiso 1 1 calc R . .
H16C H 0.3332 0.9935 0.6602 0.040 Uiso 1 1 calc R . .
O3 O 0.3291(3) 0.8266(3) 0.9320(3) 0.0267(13) Uani 1 1 d D A .
C8 C 0.3960(8) 0.7430(7) 0.9997(11) 0.053(6) Uani 0.712(15) 2 d SPGDU A -1
C9 C 0.4281(11) 0.7230(10) 0.9275(15) 0.044(5) Uani 0.356(7) 1 d PGDU A -1
H9A H 0.4186 0.7468 0.8794 0.053 Uiso 0.356(7) 1 calc PR A -1
C10 C 0.4743(11) 0.6675(11) 0.927(2) 0.087(8) Uani 0.356(7) 1 d PGDU A -1
H10A H 0.4958 0.6541 0.8788 0.104 Uiso 0.356(7) 1 calc PR A -1
N2 N 0.4884(9) 0.6319(8) 0.999(3) 0.111(9) Uani 0.712(15) 2 d SPGDU A -1
C11 C 0.4563(12) 0.6519(10) 1.071(2) 0.087(8) Uani 0.356(7) 1 d PGDU A -1
H11A H 0.4658 0.6281 1.1193 0.104 Uiso 0.356(7) 1 calc PR A -1
C12 C 0.4101(11) 0.7074(10) 1.0716(15) 0.044(5) Uani 0.356(7) 1 d PGDU A -1
H12A H 0.3886 0.7208 1.1199 0.053 Uiso 0.356(7) 1 calc PR A -1
C8' C 0.3754(18) 0.7305(9) 0.996(4) 0.053(6) Uani 0.144(7) 1 d PGDU A -2
C9' C 0.4404(16) 0.7199(15) 0.961(3) 0.044(5) Uani 0.144(7) 1 d PGDU A -2
H9'A H 0.4644 0.7570 0.9382 0.053 Uiso 0.144(7) 1 calc PR A -2
C10' C 0.470(2) 0.6538(18) 0.961(4) 0.087(8) Uani 0.144(7) 1 d PGU A -2
H10B H 0.5132 0.6467 0.9378 0.104 Uiso 0.144(7) 1 calc PR A -2
N2' N 0.434(3) 0.5984(14) 0.995(5) 0.111(9) Uani 0.144(7) 1 d PGU A -2
C11' C 0.369(3) 0.6090(8) 1.030(4) 0.087(8) Uani 0.144(7) 1 d PGU A -2
H11B H 0.3448 0.5719 1.0530 0.104 Uiso 0.144(7) 1 calc PR A -2
C12' C 0.340(2) 0.6750(8) 1.030(3) 0.044(5) Uani 0.144(7) 1 d PGDU A -2
H12B H 0.2960 0.6821 1.0534 0.053 Uiso 0.144(7) 1 calc PR A -2
O1W O 0.0000 1.0000 0.0000 0.135(9) Uani 1 4 d SU . .

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 0.0160(5) 0.0175(6) 0.0159(5) 0.0001(4) 0.0005(4) -0.0008(4)
Co2 0.0135(5) 0.0166(5) 0.0152(5) -0.0001(4) 0.0010(4) 0.0004(4)
O1 0.019(3) 0.021(3) 0.029(3) 0.010(3) -0.003(2) -0.003(2)
O2 0.013(3) 0.020(3) 0.035(3) 0.007(2) 0.003(2) 0.003(2)
O4 0.020(3) 0.022(3) 0.012(3) -0.007(2) 0.002(2) 0.000(2)
O5 0.019(3) 0.032(3) 0.011(3) 0.001(2) 0.001(2) -0.006(2)
O6 0.015(4) 0.035(5) 0.017(4) 0.000 0.000 0.002(3)
N1 0.021(4) 0.023(4) 0.027(4) 0.004(3) -0.004(3) 0.005(3)
C1 0.019(4) 0.015(4) 0.018(4) 0.003(3) 0.001(3) 0.002(3)
C2 0.022(4) 0.017(4) 0.020(4) -0.001(3) -0.007(3) 0.003(3)
C3 0.023(5) 0.050(6) 0.046(6) 0.032(5) 0.001(4) 0.002(4)
C4 0.019(5) 0.056(7) 0.054(6) 0.032(6) 0.001(4) 0.000(4)
C5 0.022(5) 0.036(5) 0.038(5) 0.015(4) 0.010(4) 0.006(4)
C6 0.018(4) 0.037(5) 0.037(5) 0.010(4) 0.009(4) 0.010(4)
C7 0.025(6) 0.011(5) 0.024(7) 0.000 0.000 0.005(5)
C13 0.016(3) 0.016(3) 0.017(5) 0.002(3) -0.002(3) -0.006(4)
C14 0.014(5) 0.020(6) 0.019(5) 0.000 0.000 -0.003(5)
C15 0.079(15) 0.13(2) 0.072(14) 0.000 0.000 0.003(14)
O7 0.014(3) 0.018(3) 0.014(2) 0.001(2) -0.001(2) 0.003(2)
C16 0.023(5) 0.031(5) 0.027(4) 0.000(4) -0.002(4) 0.000(4)
O3 0.028(3) 0.025(3) 0.027(3) 0.001(3) -0.001(3) 0.006(2)
C8 0.053(8) 0.056(8) 0.052(7) 0.000(7) 0.000(7) 0.001(6)
C9 0.044(7) 0.042(6) 0.046(6) 0.002(5) 0.003(5) 0.002(5)
C10 0.089(9) 0.086(9) 0.085(9) 0.001(5) 0.002(5) 0.007(5)
N2 0.112(11) 0.109(11) 0.111(11) 0.000(7) 0.000(7) 0.010(7)
C11 0.089(9) 0.086(9) 0.085(9) 0.001(5) 0.002(5) 0.007(5)
C12 0.044(7) 0.042(6) 0.046(6) 0.002(5) 0.003(5) 0.002(5)
C8' 0.053(8) 0.056(8) 0.052(7) 0.000(7) 0.000(7) 0.001(6)
C9' 0.044(7) 0.042(6) 0.046(6) 0.002(5) 0.003(5) 0.002(5)
C10' 0.089(9) 0.086(9) 0.085(9) 0.001(5) 0.002(5) 0.007(5)
N2' 0.112(11) 0.109(11) 0.111(11) 0.000(7) 0.000(7) 0.010(7)
C11' 0.089(9) 0.086(9) 0.085(9) 0.001(5) 0.002(5) 0.007(5)
C12' 0.044(7) 0.042(6) 0.046(6) 0.002(5) 0.003(5) 0.002(5)
O1W 0.137(12) 0.122(12) 0.144(12) 0.000 0.000 -0.019(9)

_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 O6 1.968(4) . ?
Co1 O1 2.094(5) . ?
Co1 O3 2.094(5) . ?
Co1 O4 2.162(5) . ?
Co1 N1 2.178(6) 11_467 ?
Co1 O5 2.271(5) . ?
Co2 O2 2.053(5) . ?
Co2 O7 2.086(5) 8_666 ?
Co2 O7 2.094(5) 7_456 ?
Co2 O7 2.126(5) . ?
Co2 O4 2.153(5) . ?
Co2 O5 2.154(5) . ?
Co2 Co2 2.998(2) 7_456 ?
O1 C1 1.245(9) . ?
O2 C1 1.261(9) . ?
O4 C13 1.250(7) . ?
O5 C14 1.248(7) . ?
O6 C15 1.45(2) . ?
O6 Co1 1.968(4) 10_557 ?
N1 C5 1.327(10) . ?
N1 C4 1.344(11) . ?
N1 Co1 2.178(6) 12_667 ?
C1 C2 1.521(10) . ?
C2 C3 1.379(12) . ?
C2 C6 1.385(11) . ?
C3 C4 1.378(12) . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9300 . ?
C5 C6 1.374(11) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 O3 1.246(5) . ?
C7 O3 1.246(5) 10_557 ?
C7 C8 1.508(6) . ?
C7 C8' 1.507(7) . ?
C7 C8' 1.507(7) 10_557 ?
C13 O4 1.250(7) 7_456 ?
C13 H13A 0.9300 . ?
C14 O5 1.248(7) 10_557 ?
C14 H14A 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
O7 C16 1.416(9) . ?
O7 Co2 2.086(5) 8_666 ?
O7 Co2 2.094(5) 7_456 ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C8 C9 1.3900 . ?
C8 C12 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9300 . ?
C10 N2 1.3900 . ?
C10 H10A 0.9300 . ?
N2 C11 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C8' C9' 1.3900 . ?
C8' C12' 1.3900 . ?
C9' C10' 1.3900 . ?
C9' H9'A 0.9300 . ?
C10' N2' 1.3900 . ?
C10' H10B 0.9300 . ?
N2' C11' 1.3900 . ?
C11' C12' 1.3900 . ?
C11' H11B 0.9300 . ?
C12' H12B 0.9300 . ?

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
O6 Co1 O1 94.6(3) . . ?
O6 Co1 O3 97.5(3) . . ?
O1 Co1 O3 167.8(2) . . ?
O6 Co1 O4 170.4(3) . . ?
O1 Co1 O4 85.3(2) . . ?
O3 Co1 O4 82.6(2) . . ?
O6 Co1 N1 98.3(3) . 11_467 ?
O1 Co1 N1 88.7(2) . 11_467 ?
O3 Co1 N1 90.5(2) . 11_467 ?
O4 Co1 N1 91.4(2) . 11_467 ?
O6 Co1 O5 95.8(2) . . ?
O1 Co1 O5 89.8(2) . . ?
O3 Co1 O5 88.0(2) . . ?
O4 Co1 O5 74.56(18) . . ?
N1 Co1 O5 165.9(2) 11_467 . ?
O2 Co2 O7 98.9(2) . 8_666 ?
O2 Co2 O7 174.5(2) . 7_456 ?
O7 Co2 O7 76.9(2) 8_666 7_456 ?
O2 Co2 O7 89.1(2) . . ?
O7 Co2 O7 83.3(2) 8_666 . ?
O7 Co2 O7 86.81(19) 7_456 . ?
O2 Co2 O4 91.3(2) . . ?
O7 Co2 O4 167.71(19) 8_666 . ?
O7 Co2 O4 92.45(19) 7_456 . ?
O7 Co2 O4 90.02(19) . . ?
O2 Co2 O5 86.3(2) . . ?
O7 Co2 O5 110.17(19) 8_666 . ?
O7 Co2 O5 98.43(19) 7_456 . ?
O7 Co2 O5 166.30(19) . . ?
O4 Co2 O5 77.18(19) . . ?
O2 Co2 Co2 131.90(16) . 7_456 ?
O7 Co2 Co2 88.39(13) 8_666 7_456 ?
O7 Co2 Co2 45.14(13) 7_456 7_456 ?
O7 Co2 Co2 44.30(13) . 7_456 ?
O4 Co2 Co2 79.65(13) . 7_456 ?
O5 Co2 Co2 135.37(15) . 7_456 ?
C1 O1 Co1 130.8(5) . . ?
C1 O2 Co2 128.9(5) . . ?
C13 O4 Co2 127.2(5) . . ?
C13 O4 Co1 127.2(5) . . ?
Co2 O4 Co1 101.9(2) . . ?
C14 O5 Co2 130.2(5) . . ?
C14 O5 Co1 131.3(5) . . ?
Co2 O5 Co1 98.4(2) . . ?
C15 O6 Co1 120.81(19) . 10_557 ?
C15 O6 Co1 120.81(19) . . ?
Co1 O6 Co1 118.3(4) 10_557 . ?
C5 N1 C4 115.4(7) . . ?
C5 N1 Co1 121.4(6) . 12_667 ?
C4 N1 Co1 122.9(6) . 12_667 ?
O1 C1 O2 127.6(7) . . ?
O1 C1 C2 116.9(7) . . ?
O2 C1 C2 115.5(6) . . ?
C3 C2 C6 117.1(7) . . ?
C3 C2 C1 121.9(7) . . ?
C6 C2 C1 120.9(7) . . ?
C4 C3 C2 119.3(8) . . ?
C4 C3 H3A 120.4 . . ?
C2 C3 H3A 120.4 . . ?
N1 C4 C3 124.2(8) . . ?
N1 C4 H4A 117.9 . . ?
C3 C4 H4A 117.9 . . ?
N1 C5 C6 124.6(8) . . ?
N1 C5 H5A 117.7 . . ?
C6 C5 H5A 117.7 . . ?
C5 C6 C2 119.4(8) . . ?
C5 C6 H6A 120.3 . . ?
C2 C6 H6A 120.3 . . ?
O3 C7 O3 127.0(8) . 10_557 ?
O3 C7 C8 116.1(8) . . ?
O3 C7 C8 116.5(8) 10_557 . ?
O3 C7 C8' 113(2) . . ?
O3 C7 C8' 118(2) 10_557 . ?
C8 C7 C8' 17.9(18) . . ?
O3 C7 C8' 118(2) . 10_557 ?
O3 C7 C8' 113(2) 10_557 10_557 ?
C8 C7 C8' 17.9(18) . 10_557 ?
C8' C7 C8' 5(4) . 10_557 ?
O4 C13 O4 126.1(10) . 7_456 ?
O4 C13 H13A 116.9 . . ?
O4 C13 H13A 116.9 7_456 . ?
O5 C14 O5 126.4(10) . 10_557 ?
O5 C14 H14A 116.8 . . ?
O5 C14 H14A 116.8 10_557 . ?
O6 C15 H15A 109.5 . . ?
O6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 O7 Co2 121.5(5) . 8_666 ?
C16 O7 Co2 120.2(5) . 7_456 ?
Co2 O7 Co2 102.9(2) 8_666 7_456 ?
C16 O7 Co2 119.2(4) . . ?
Co2 O7 Co2 96.1(2) 8_666 . ?
Co2 O7 Co2 90.56(19) 7_456 . ?
O7 C16 H16A 109.5 . . ?
O7 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O7 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C7 O3 Co1 132.3(5) . . ?
C9 C8 C12 120.0 . . ?
C9 C8 C7 120.1(4) . . ?
C12 C8 C7 119.9(4) . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
N2 C10 C9 120.0 . . ?
N2 C10 H10A 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C10 N2 C11 120.0 . . ?
C12 C11 N2 120.0 . . ?
C12 C11 H11A 120.0 . . ?
N2 C11 H11A 120.0 . . ?
C11 C12 C8 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C8 C12 H12A 120.0 . . ?
C9' C8' C12' 120.0 . . ?
C9' C8' C7 120.0(4) . . ?
C12' C8' C7 120.0(4) . . ?
C8' C9' C10' 120.0 . . ?
C8' C9' H9'A 120.0 . . ?
C10' C9' H9'A 120.0 . . ?
N2' C10' C9' 120.0 . . ?
N2' C10' H10B 120.0 . . ?
C9' C10' H10B 120.0 . . ?
C10' N2' C11' 120.0 . . ?
C12' C11' N2' 120.0 . . ?
C12' C11' H11B 120.0 . . ?
N2' C11' H11B 120.0 . . ?
C11' C12' C8' 120.0 . . ?
C11' C12' H12B 120.0 . . ?
C8' C12' H12B 120.0 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.946
_refine_diff_density_rms         0.130