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

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_z

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H48 Co2 N8 O10'
_chemical_formula_weight         1014.80

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           Monoclinic
_symmetry_space_group_name_H-M   Pc

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

_cell_length_a                   11.020(2)
_cell_length_b                   9.7200(19)
_cell_length_c                   21.600(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.00(3)
_cell_angle_gamma                90.00
_cell_volume                     2301.0(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1052
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.8581
_exptl_absorpt_correction_T_max  0.8775
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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 P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21731
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.37
_reflns_number_total             7915
_reflns_number_gt                7199
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0263P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.008(9)
_refine_ls_number_reflns         7915
_refine_ls_number_parameters     613
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0730
_refine_ls_wR_factor_gt          0.0691
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_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 0.02447(3) 0.92504(4) 0.81869(2) 0.03143(11) Uani 1 1 d . . .
Co2 Co -0.19966(3) 0.79806(4) 0.91646(2) 0.03062(11) Uani 1 1 d . . .
O1 O -0.2526(2) 0.9882(2) 0.88005(11) 0.0450(6) Uani 1 1 d . . .
O2 O -0.1200(2) 1.0662(2) 0.81824(12) 0.0486(6) Uani 1 1 d . . .
O3 O -0.8724(2) 1.0781(2) 0.86872(12) 0.0487(7) Uani 1 1 d . . .
O4 O -0.8481(2) 0.9992(3) 0.96593(12) 0.0550(7) Uani 1 1 d . . .
O5 O -0.00615(18) 0.8287(2) 0.90608(10) 0.0312(5) Uani 1 1 d . . .
H5A H 0.0253 0.8785 0.9359 0.047 Uiso 1 1 d R . .
H5B H 0.0298 0.7512 0.9086 0.047 Uiso 1 1 d R . .
O6 O -0.2187(2) 0.6962(3) 0.83206(11) 0.0413(6) Uani 1 1 d . . .
O7 O -0.0787(2) 0.7728(2) 0.77274(10) 0.0434(6) Uani 1 1 d . . .
O8 O -0.1560(2) 0.3892(2) 0.46133(11) 0.0435(6) Uani 1 1 d . . .
O9 O 0.0169(2) 0.4429(2) 0.42203(11) 0.0416(6) Uani 1 1 d . . .
O10 O 0.0315(4) 0.3572(3) 0.82518(15) 0.0903(10) Uani 1 1 d . . .
H10A H 0.0453 0.4123 0.8557 0.135 Uiso 1 1 d R . .
H10B H 0.0581 0.2777 0.8358 0.135 Uiso 1 1 d R . .
N1 N 0.0615(3) 1.0112(3) 0.73254(13) 0.0389(7) Uani 1 1 d . . .
N2 N 0.0752(3) 1.1528(3) 0.65458(14) 0.0478(8) Uani 1 1 d . . .
N3 N 0.4426(2) 1.3328(3) 0.45221(13) 0.0385(7) Uani 1 1 d . . .
N4 N 0.6143(3) 1.2405(3) 0.42947(14) 0.0381(7) Uani 1 1 d . . .
N5 N 0.1840(2) 0.7980(3) 0.81587(13) 0.0368(6) Uani 1 1 d . . .
N6 N 0.3697(3) 0.7443(3) 0.79427(15) 0.0493(8) Uani 1 1 d . . .
N7 N 0.7826(3) 1.0689(3) 0.60181(13) 0.0475(8) Uani 1 1 d . . .
N8 N 0.8207(3) 1.1081(3) 0.50596(13) 0.0406(7) Uani 1 1 d . . .
C1 C -0.2141(3) 1.0758(3) 0.84549(15) 0.0324(7) Uani 1 1 d . . .
C2 C -0.2865(3) 1.2086(3) 0.83404(18) 0.0404(9) Uani 1 1 d . . .
H2A H -0.2359 1.2844 0.8507 0.049 Uiso 1 1 calc R . .
H2B H -0.3021 1.2223 0.7894 0.049 Uiso 1 1 calc R . .
C3 C -0.4058(3) 1.2160(3) 0.86126(17) 0.0374(8) Uani 1 1 d . . .
C4 C -0.5171(3) 1.2139(4) 0.82439(17) 0.0465(9) Uani 1 1 d . . .
H4 H -0.5174 1.2126 0.7813 0.056 Uiso 1 1 calc R . .
C5 C -0.6276(3) 1.2138(4) 0.84965(19) 0.0487(9) Uani 1 1 d . . .
H5 H -0.7002 1.2141 0.8235 0.058 Uiso 1 1 calc R . .
C6 C -0.6307(3) 1.2133(3) 0.91427(17) 0.0385(8) Uani 1 1 d . . .
C7 C -0.5206(3) 1.2162(3) 0.95089(17) 0.0413(8) Uani 1 1 d . . .
H7 H -0.5199 1.2165 0.9940 0.050 Uiso 1 1 calc R . .
C8 C -0.4110(3) 1.2187(3) 0.92488(17) 0.0415(9) Uani 1 1 d . . .
H8 H -0.3385 1.2223 0.9511 0.050 Uiso 1 1 calc R . .
C9 C -0.7504(3) 1.2105(3) 0.94300(19) 0.0419(9) Uani 1 1 d . . .
H9A H -0.7963 1.2928 0.9304 0.050 Uiso 1 1 calc R . .
H9B H -0.7331 1.2131 0.9879 0.050 Uiso 1 1 calc R . .
C10 C -0.8299(3) 1.0846(4) 0.92515(18) 0.0394(9) Uani 1 1 d . . .
C11 C -0.1593(3) 0.6921(3) 0.78550(15) 0.0332(8) Uani 1 1 d . . .
C12 C -0.1903(4) 0.5702(4) 0.74142(16) 0.0454(9) Uani 1 1 d . . .
H12A H -0.1480 0.4897 0.7593 0.055 Uiso 1 1 calc R . .
H12B H -0.2771 0.5522 0.7402 0.055 Uiso 1 1 calc R . .
C13 C -0.1599(3) 0.5851(3) 0.67572(16) 0.0394(8) Uani 1 1 d . . .
C14 C -0.2498(4) 0.5783(4) 0.62626(18) 0.0490(10) Uani 1 1 d . . .
H14 H -0.3307 0.5683 0.6340 0.059 Uiso 1 1 calc R . .
C15 C -0.2217(4) 0.5860(4) 0.56517(17) 0.0481(9) Uani 1 1 d . . .
H15 H -0.2841 0.5792 0.5328 0.058 Uiso 1 1 calc R . .
C16 C -0.1033(3) 0.6035(3) 0.55152(16) 0.0397(8) Uani 1 1 d . . .
C17 C -0.0138(3) 0.6152(4) 0.60072(17) 0.0429(9) Uani 1 1 d . . .
H17 H 0.0664 0.6307 0.5928 0.051 Uiso 1 1 calc R . .
C18 C -0.0407(3) 0.6044(4) 0.66166(16) 0.0436(9) Uani 1 1 d . . .
H18 H 0.0221 0.6102 0.6939 0.052 Uiso 1 1 calc R . .
C19 C -0.0712(4) 0.6094(3) 0.48517(16) 0.0443(9) Uani 1 1 d . . .
H19A H 0.0085 0.6516 0.4850 0.053 Uiso 1 1 calc R . .
H19B H -0.1299 0.6678 0.4611 0.053 Uiso 1 1 calc R . .
C20 C -0.0694(3) 0.4689(3) 0.45343(14) 0.0332(8) Uani 1 1 d . . .
C21 C 0.0465(3) 1.1376(4) 0.71309(17) 0.0481(9) Uani 1 1 d . . .
H21 H 0.0193 1.2087 0.7369 0.058 Uiso 1 1 calc R . .
C22 C 0.1013(4) 0.9423(4) 0.68312(18) 0.0529(10) Uani 1 1 d . . .
H22 H 0.1206 0.8492 0.6829 0.063 Uiso 1 1 calc R . .
C23 C 0.1084(4) 1.0285(4) 0.63526(18) 0.0538(10) Uani 1 1 d . . .
H23 H 0.1317 1.0065 0.5963 0.065 Uiso 1 1 calc R . .
C24 C 0.0663(4) 1.2789(5) 0.6183(2) 0.0703(14) Uani 1 1 d . . .
H24A H 0.0219 1.3470 0.6398 0.084 Uiso 1 1 calc R . .
H24B H 0.0200 1.2608 0.5784 0.084 Uiso 1 1 calc R . .
C25 C 0.1894(4) 1.3373(4) 0.6073(2) 0.0510(10) Uani 1 1 d . . .
C26 C 0.2166(3) 1.3595(4) 0.54759(18) 0.0452(9) Uani 1 1 d . . .
H26 H 0.1594 1.3354 0.5146 0.054 Uiso 1 1 calc R . .
C27 C 0.3253(4) 1.4162(4) 0.53476(17) 0.0446(9) Uani 1 1 d . . .
C28 C 0.4088(5) 1.4492(6) 0.5840(2) 0.098(2) Uani 1 1 d . . .
H28 H 0.4832 1.4876 0.5766 0.118 Uiso 1 1 calc R . .
C29 C 0.3845(6) 1.4265(8) 0.6438(3) 0.135(3) Uani 1 1 d . . .
H29 H 0.4423 1.4489 0.6768 0.162 Uiso 1 1 calc R . .
C30 C 0.2742(6) 1.3704(6) 0.6552(2) 0.0939(18) Uani 1 1 d . . .
H30 H 0.2577 1.3552 0.6960 0.113 Uiso 1 1 calc R . .
C31 C 0.3544(3) 1.4356(4) 0.46916(18) 0.0485(10) Uani 1 1 d . . .
H31A H 0.2800 1.4280 0.4411 0.058 Uiso 1 1 calc R . .
H31B H 0.3876 1.5270 0.4646 0.058 Uiso 1 1 calc R . .
C32 C 0.5579(3) 1.3549(4) 0.43781(16) 0.0384(8) Uani 1 1 d . . .
H32 H 0.5923 1.4416 0.4343 0.046 Uiso 1 1 calc R . .
C33 C 0.4261(3) 1.1946(4) 0.45287(19) 0.0509(10) Uani 1 1 d . . .
H33 H 0.3564 1.1477 0.4617 0.061 Uiso 1 1 calc R . .
C34 C 0.5312(3) 1.1392(4) 0.43817(19) 0.0495(10) Uani 1 1 d . . .
H34 H 0.5455 1.0454 0.4344 0.059 Uiso 1 1 calc R . .
C35 C 0.2926(3) 0.8466(4) 0.80577(18) 0.0463(9) Uani 1 1 d . . .
H35 H 0.3130 0.9394 0.8065 0.056 Uiso 1 1 calc R . .
C36 C 0.1935(4) 0.6595(4) 0.81041(18) 0.0479(9) Uani 1 1 d . . .
H36 H 0.1313 0.5970 0.8152 0.057 Uiso 1 1 calc R . .
C37 C 0.3060(4) 0.6260(4) 0.79705(18) 0.0516(10) Uani 1 1 d . . .
H37 H 0.3349 0.5377 0.7908 0.062 Uiso 1 1 calc R . .
C38 C 0.4951(4) 0.7612(6) 0.7795(2) 0.0730(14) Uani 1 1 d . . .
H38A H 0.5308 0.6712 0.7746 0.088 Uiso 1 1 calc R . .
H38B H 0.5421 0.8070 0.8140 0.088 Uiso 1 1 calc R . .
C39 C 0.5033(3) 0.8441(5) 0.72063(18) 0.0600(12) Uani 1 1 d . . .
C40 C 0.4128(4) 0.8436(7) 0.6718(2) 0.104(2) Uani 1 1 d . . .
H40 H 0.3440 0.7889 0.6736 0.125 Uiso 1 1 calc R . .
C41 C 0.4241(5) 0.9250(9) 0.6195(2) 0.127(3) Uani 1 1 d . . .
H41 H 0.3619 0.9267 0.5869 0.152 Uiso 1 1 calc R . .
C42 C 0.5276(4) 1.0028(8) 0.6165(2) 0.107(2) Uani 1 1 d . . .
H42 H 0.5354 1.0558 0.5813 0.128 Uiso 1 1 calc R . .
C43 C 0.6198(4) 1.0034(5) 0.66476(17) 0.0637(12) Uani 1 1 d . . .
C44 C 0.6075(3) 0.9219(4) 0.71645(17) 0.0521(10) Uani 1 1 d . . .
H44 H 0.6702 0.9195 0.7488 0.063 Uiso 1 1 calc R . .
C45 C 0.7332(4) 1.0882(5) 0.66161(18) 0.0699(13) Uani 1 1 d . . .
H45A H 0.7142 1.1847 0.6669 0.084 Uiso 1 1 calc R . .
H45B H 0.7941 1.0616 0.6952 0.084 Uiso 1 1 calc R . .
C46 C 0.7781(4) 1.1610(4) 0.55515(17) 0.0485(10) Uani 1 1 d . . .
H46 H 0.7487 1.2504 0.5575 0.058 Uiso 1 1 calc R . .
C47 C 0.8303(4) 0.9518(4) 0.58101(19) 0.0537(10) Uani 1 1 d . . .
H47 H 0.8444 0.8703 0.6032 0.064 Uiso 1 1 calc R . .
C48 C 0.8533(3) 0.9755(4) 0.52228(18) 0.0487(9) Uani 1 1 d . . .
H48 H 0.8863 0.9120 0.4965 0.058 Uiso 1 1 calc R . .


_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 O7 2.057(2) . ?
Co1 O2 2.101(2) . ?
Co1 O3 2.102(2) 1_655 ?
Co1 N1 2.119(3) . ?
Co1 N5 2.154(3) . ?
Co1 O5 2.165(2) . ?
Co2 O6 2.066(2) . ?
Co2 O1 2.068(2) . ?
Co2 O8 2.095(2) 2_565 ?
Co2 N8 2.128(3) 2_475 ?
Co2 N4 2.131(3) 2_475 ?
Co2 O5 2.188(2) . ?
O1 C1 1.237(4) . ?
O2 C1 1.248(4) . ?
O3 C10 1.261(4) . ?
O3 Co1 2.102(2) 1_455 ?
O4 C10 1.242(4) . ?
O5 H5A 0.8499 . ?
O5 H5B 0.8500 . ?
O6 C11 1.257(4) . ?
O7 C11 1.238(4) . ?
O8 C20 1.255(4) . ?
O8 Co2 2.095(2) 2_564 ?
O9 C20 1.251(4) . ?
O10 H10A 0.8501 . ?
O10 H10B 0.8500 . ?
N1 C21 1.303(5) . ?
N1 C22 1.371(5) . ?
N2 C21 1.342(4) . ?
N2 C23 1.342(5) . ?
N2 C24 1.453(5) . ?
N3 C33 1.356(4) . ?
N3 C32 1.356(4) . ?
N3 C31 1.467(4) . ?
N4 C32 1.295(4) . ?
N4 C34 1.371(4) . ?
N4 Co2 2.131(3) 2_674 ?
N5 C35 1.325(4) . ?
N5 C36 1.357(4) . ?
N6 C35 1.348(5) . ?
N6 C37 1.352(5) . ?
N6 C38 1.459(5) . ?
N7 C46 1.345(5) . ?
N7 C47 1.350(5) . ?
N7 C45 1.465(5) . ?
N8 C46 1.311(4) . ?
N8 C48 1.374(5) . ?
N8 Co2 2.128(3) 2_674 ?
C1 C2 1.524(4) . ?
C2 C3 1.497(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C8 1.382(5) . ?
C3 C4 1.391(5) . ?
C4 C5 1.385(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.400(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.378(5) . ?
C6 C9 1.516(4) . ?
C7 C8 1.384(5) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.531(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C12 1.536(5) . ?
C12 C13 1.499(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.380(5) . ?
C13 C18 1.392(5) . ?
C14 C15 1.388(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.378(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.377(5) . ?
C16 C19 1.513(5) . ?
C17 C18 1.383(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.529(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 H21 0.9300 . ?
C22 C23 1.339(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.512(5) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C30 1.358(6) . ?
C25 C26 1.372(5) . ?
C26 C27 1.373(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.370(6) . ?
C27 C31 1.497(5) . ?
C28 C29 1.363(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.378(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32 0.9300 . ?
C33 C34 1.345(5) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C37 1.342(5) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.517(6) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.374(6) . ?
C39 C44 1.387(6) . ?
C40 C41 1.394(8) . ?
C40 H40 0.9300 . ?
C41 C42 1.376(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.377(6) . ?
C42 H42 0.9300 . ?
C43 C44 1.387(5) . ?
C43 C45 1.505(6) . ?
C44 H44 0.9300 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46 0.9300 . ?
C47 C48 1.340(5) . ?
C47 H47 0.9300 . ?
C48 H48 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
O7 Co1 O2 95.01(10) . . ?
O7 Co1 O3 177.90(10) . 1_655 ?
O2 Co1 O3 84.77(11) . 1_655 ?
O7 Co1 N1 90.46(10) . . ?
O2 Co1 N1 87.31(10) . . ?
O3 Co1 N1 91.62(11) 1_655 . ?
O7 Co1 N5 89.17(10) . . ?
O2 Co1 N5 173.91(11) . . ?
O3 Co1 N5 91.22(11) 1_655 . ?
N1 Co1 N5 88.23(11) . . ?
O7 Co1 O5 88.91(9) . . ?
O2 Co1 O5 95.71(9) . . ?
O3 Co1 O5 89.04(9) 1_655 . ?
N1 Co1 O5 176.96(10) . . ?
N5 Co1 O5 88.78(9) . . ?
O6 Co2 O1 95.40(10) . . ?
O6 Co2 O8 89.36(10) . 2_565 ?
O1 Co2 O8 173.97(9) . 2_565 ?
O6 Co2 N8 176.74(11) . 2_475 ?
O1 Co2 N8 87.78(11) . 2_475 ?
O8 Co2 N8 87.41(11) 2_565 2_475 ?
O6 Co2 N4 91.23(11) . 2_475 ?
O1 Co2 N4 88.31(10) . 2_475 ?
O8 Co2 N4 87.90(10) 2_565 2_475 ?
N8 Co2 N4 88.14(11) 2_475 2_475 ?
O6 Co2 O5 89.15(9) . . ?
O1 Co2 O5 94.51(9) . . ?
O8 Co2 O5 89.24(9) 2_565 . ?
N8 Co2 O5 91.33(10) 2_475 . ?
N4 Co2 O5 177.11(11) 2_475 . ?
C1 O1 Co2 138.1(2) . . ?
C1 O2 Co1 135.5(2) . . ?
C10 O3 Co1 131.2(2) . 1_455 ?
Co1 O5 Co2 112.99(10) . . ?
Co1 O5 H5A 109.0 . . ?
Co2 O5 H5A 109.0 . . ?
Co1 O5 H5B 109.0 . . ?
Co2 O5 H5B 109.0 . . ?
H5A O5 H5B 107.8 . . ?
C11 O6 Co2 135.0(2) . . ?
C11 O7 Co1 136.2(2) . . ?
C20 O8 Co2 127.9(2) . 2_564 ?
H10A O10 H10B 109.5 . . ?
C21 N1 C22 104.5(3) . . ?
C21 N1 Co1 128.8(2) . . ?
C22 N1 Co1 126.7(2) . . ?
C21 N2 C23 107.0(3) . . ?
C21 N2 C24 126.3(4) . . ?
C23 N2 C24 126.7(3) . . ?
C33 N3 C32 106.8(3) . . ?
C33 N3 C31 125.4(3) . . ?
C32 N3 C31 127.6(3) . . ?
C32 N4 C34 105.1(3) . . ?
C32 N4 Co2 130.7(2) . 2_674 ?
C34 N4 Co2 123.8(2) . 2_674 ?
C35 N5 C36 105.0(3) . . ?
C35 N5 Co1 123.6(2) . . ?
C36 N5 Co1 130.0(2) . . ?
C35 N6 C37 106.2(3) . . ?
C35 N6 C38 125.9(4) . . ?
C37 N6 C38 127.8(4) . . ?
C46 N7 C47 107.3(3) . . ?
C46 N7 C45 126.0(4) . . ?
C47 N7 C45 126.5(4) . . ?
C46 N8 C48 105.5(3) . . ?
C46 N8 Co2 123.7(2) . 2_674 ?
C48 N8 Co2 129.4(2) . 2_674 ?
O1 C1 O2 126.0(3) . . ?
O1 C1 C2 118.3(3) . . ?
O2 C1 C2 115.7(3) . . ?
C3 C2 C1 116.3(3) . . ?
C3 C2 H2A 108.2 . . ?
C1 C2 H2A 108.2 . . ?
C3 C2 H2B 108.2 . . ?
C1 C2 H2B 108.2 . . ?
H2A C2 H2B 107.4 . . ?
C8 C3 C4 116.4(3) . . ?
C8 C3 C2 121.4(3) . . ?
C4 C3 C2 122.2(3) . . ?
C5 C4 C3 122.2(4) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C4 C5 C6 120.4(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 117.4(3) . . ?
C7 C6 C9 121.2(3) . . ?
C5 C6 C9 121.4(3) . . ?
C6 C7 C8 121.4(3) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C3 C8 C7 122.1(3) . . ?
C3 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C6 C9 C10 114.3(3) . . ?
C6 C9 H9A 108.7 . . ?
C10 C9 H9A 108.7 . . ?
C6 C9 H9B 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
O4 C10 O3 125.6(3) . . ?
O4 C10 C9 119.1(3) . . ?
O3 C10 C9 115.4(3) . . ?
O7 C11 O6 127.2(3) . . ?
O7 C11 C12 118.0(3) . . ?
O6 C11 C12 114.8(3) . . ?
C13 C12 C11 117.1(3) . . ?
C13 C12 H12A 108.0 . . ?
C11 C12 H12A 108.0 . . ?
C13 C12 H12B 108.0 . . ?
C11 C12 H12B 108.0 . . ?
H12A C12 H12B 107.3 . . ?
C14 C13 C18 117.0(3) . . ?
C14 C13 C12 121.0(3) . . ?
C18 C13 C12 121.9(3) . . ?
C13 C14 C15 121.4(4) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 H14 119.3 . . ?
C16 C15 C14 121.3(3) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C17 C16 C15 117.6(3) . . ?
C17 C16 C19 120.5(3) . . ?
C15 C16 C19 121.9(3) . . ?
C16 C17 C18 121.4(3) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C16 C19 C20 114.0(3) . . ?
C16 C19 H19A 108.8 . . ?
C20 C19 H19A 108.8 . . ?
C16 C19 H19B 108.8 . . ?
C20 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
O9 C20 O8 125.6(3) . . ?
O9 C20 C19 118.0(3) . . ?
O8 C20 C19 116.4(3) . . ?
N1 C21 N2 111.9(3) . . ?
N1 C21 H21 124.0 . . ?
N2 C21 H21 124.0 . . ?
C23 C22 N1 110.2(4) . . ?
C23 C22 H22 124.9 . . ?
N1 C22 H22 124.9 . . ?
C22 C23 N2 106.5(3) . . ?
C22 C23 H23 126.8 . . ?
N2 C23 H23 126.8 . . ?
N2 C24 C25 112.9(3) . . ?
N2 C24 H24A 109.0 . . ?
C25 C24 H24A 109.0 . . ?
N2 C24 H24B 109.0 . . ?
C25 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C30 C25 C26 118.6(4) . . ?
C30 C25 C24 121.8(4) . . ?
C26 C25 C24 119.6(4) . . ?
C25 C26 C27 122.3(4) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C28 C27 C26 117.8(4) . . ?
C28 C27 C31 120.9(4) . . ?
C26 C27 C31 121.3(4) . . ?
C29 C28 C27 121.0(4) . . ?
C29 C28 H28 119.5 . . ?
C27 C28 H28 119.5 . . ?
C28 C29 C30 119.8(5) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C25 C30 C29 120.5(4) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
N3 C31 C27 111.3(3) . . ?
N3 C31 H31A 109.4 . . ?
C27 C31 H31A 109.4 . . ?
N3 C31 H31B 109.4 . . ?
C27 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
N4 C32 N3 111.7(3) . . ?
N4 C32 H32 124.1 . . ?
N3 C32 H32 124.1 . . ?
C34 C33 N3 105.9(3) . . ?
C34 C33 H33 127.0 . . ?
N3 C33 H33 127.0 . . ?
C33 C34 N4 110.4(3) . . ?
C33 C34 H34 124.8 . . ?
N4 C34 H34 124.8 . . ?
N5 C35 N6 111.4(3) . . ?
N5 C35 H35 124.3 . . ?
N6 C35 H35 124.3 . . ?
C37 C36 N5 110.0(3) . . ?
C37 C36 H36 125.0 . . ?
N5 C36 H36 125.0 . . ?
C36 C37 N6 107.4(3) . . ?
C36 C37 H37 126.3 . . ?
N6 C37 H37 126.3 . . ?
N6 C38 C39 112.6(3) . . ?
N6 C38 H38A 109.1 . . ?
C39 C38 H38A 109.1 . . ?
N6 C38 H38B 109.1 . . ?
C39 C38 H38B 109.1 . . ?
H38A C38 H38B 107.8 . . ?
C40 C39 C44 119.5(4) . . ?
C40 C39 C38 122.7(4) . . ?
C44 C39 C38 117.8(4) . . ?
C39 C40 C41 120.0(5) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 119.6(5) . . ?
C42 C41 H41 120.2 . . ?
C40 C41 H41 120.2 . . ?
C41 C42 C43 121.1(5) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 H42 119.4 . . ?
C42 C43 C44 118.7(4) . . ?
C42 C43 C45 121.3(4) . . ?
C44 C43 C45 120.0(4) . . ?
C39 C44 C43 121.0(4) . . ?
C39 C44 H44 119.5 . . ?
C43 C44 H44 119.5 . . ?
N7 C45 C43 110.9(4) . . ?
N7 C45 H45A 109.5 . . ?
C43 C45 H45A 109.5 . . ?
N7 C45 H45B 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
N8 C46 N7 111.0(3) . . ?
N8 C46 H46 124.5 . . ?
N7 C46 H46 124.5 . . ?
C48 C47 N7 106.8(3) . . ?
C48 C47 H47 126.6 . . ?
N7 C47 H47 126.6 . . ?
C47 C48 N8 109.5(3) . . ?
C47 C48 H48 125.2 . . ?
N8 C48 H48 125.2 . . ?

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
O6 Co2 O1 C1 -66.7(4) . . . . ?
O8 Co2 O1 C1 151.1(9) 2_565 . . . ?
N8 Co2 O1 C1 114.0(4) 2_475 . . . ?
N4 Co2 O1 C1 -157.8(4) 2_475 . . . ?
O5 Co2 O1 C1 22.9(4) . . . . ?
O7 Co1 O2 C1 71.2(3) . . . . ?
O3 Co1 O2 C1 -106.7(3) 1_655 . . . ?
N1 Co1 O2 C1 161.4(3) . . . . ?
N5 Co1 O2 C1 -155.6(9) . . . . ?
O5 Co1 O2 C1 -18.2(3) . . . . ?
O7 Co1 O5 Co2 -54.35(11) . . . . ?
O2 Co1 O5 Co2 40.58(12) . . . . ?
O3 Co1 O5 Co2 125.23(11) 1_655 . . . ?
N1 Co1 O5 Co2 -132.3(19) . . . . ?
N5 Co1 O5 Co2 -143.54(11) . . . . ?
O6 Co2 O5 Co1 53.66(11) . . . . ?
O1 Co2 O5 Co1 -41.70(11) . . . . ?
O8 Co2 O5 Co1 143.03(11) 2_565 . . . ?
N8 Co2 O5 Co1 -129.57(11) 2_475 . . . ?
N4 Co2 O5 Co1 151(2) 2_475 . . . ?
O1 Co2 O6 C11 74.1(3) . . . . ?
O8 Co2 O6 C11 -109.6(3) 2_565 . . . ?
N8 Co2 O6 C11 -118.9(18) 2_475 . . . ?
N4 Co2 O6 C11 162.5(3) 2_475 . . . ?
O5 Co2 O6 C11 -20.4(3) . . . . ?
O2 Co1 O7 C11 -72.3(3) . . . . ?
O3 Co1 O7 C11 12(3) 1_655 . . . ?
N1 Co1 O7 C11 -159.6(3) . . . . ?
N5 Co1 O7 C11 112.1(3) . . . . ?
O5 Co1 O7 C11 23.3(3) . . . . ?
O7 Co1 N1 C21 127.3(3) . . . . ?
O2 Co1 N1 C21 32.3(3) . . . . ?
O3 Co1 N1 C21 -52.3(3) 1_655 . . . ?
N5 Co1 N1 C21 -143.5(3) . . . . ?
O5 Co1 N1 C21 -154.7(18) . . . . ?
O7 Co1 N1 C22 -49.0(3) . . . . ?
O2 Co1 N1 C22 -144.0(3) . . . . ?
O3 Co1 N1 C22 131.4(3) 1_655 . . . ?
N5 Co1 N1 C22 40.2(3) . . . . ?
O5 Co1 N1 C22 29(2) . . . . ?
O7 Co1 N5 C35 141.1(3) . . . . ?
O2 Co1 N5 C35 7.7(12) . . . . ?
O3 Co1 N5 C35 -41.0(3) 1_655 . . . ?
N1 Co1 N5 C35 50.6(3) . . . . ?
O5 Co1 N5 C35 -130.0(3) . . . . ?
O7 Co1 N5 C36 -23.5(3) . . . . ?
O2 Co1 N5 C36 -156.9(9) . . . . ?
O3 Co1 N5 C36 154.4(3) 1_655 . . . ?
N1 Co1 N5 C36 -114.0(3) . . . . ?
O5 Co1 N5 C36 65.4(3) . . . . ?
Co2 O1 C1 O2 3.0(6) . . . . ?
Co2 O1 C1 C2 -177.3(3) . . . . ?
Co1 O2 C1 O1 -6.2(6) . . . . ?
Co1 O2 C1 C2 174.1(2) . . . . ?
O1 C1 C2 C3 -5.6(5) . . . . ?
O2 C1 C2 C3 174.2(3) . . . . ?
C1 C2 C3 C8 66.8(4) . . . . ?
C1 C2 C3 C4 -110.1(4) . . . . ?
C8 C3 C4 C5 -0.3(5) . . . . ?
C2 C3 C4 C5 176.7(3) . . . . ?
C3 C4 C5 C6 -1.2(6) . . . . ?
C4 C5 C6 C7 1.5(5) . . . . ?
C4 C5 C6 C9 -178.8(3) . . . . ?
C5 C6 C7 C8 -0.4(5) . . . . ?
C9 C6 C7 C8 179.9(3) . . . . ?
C4 C3 C8 C7 1.5(5) . . . . ?
C2 C3 C8 C7 -175.6(3) . . . . ?
C6 C7 C8 C3 -1.1(5) . . . . ?
C7 C6 C9 C10 -120.4(4) . . . . ?
C5 C6 C9 C10 60.0(5) . . . . ?
Co1 O3 C10 O4 -4.8(5) 1_455 . . . ?
Co1 O3 C10 C9 175.6(2) 1_455 . . . ?
C6 C9 C10 O4 113.2(4) . . . . ?
C6 C9 C10 O3 -67.1(4) . . . . ?
Co1 O7 C11 O6 12.9(6) . . . . ?
Co1 O7 C11 C12 -165.3(2) . . . . ?
Co2 O6 C11 O7 -14.7(6) . . . . ?
Co2 O6 C11 C12 163.6(2) . . . . ?
O7 C11 C12 C13 -23.3(5) . . . . ?
O6 C11 C12 C13 158.2(3) . . . . ?
C11 C12 C13 C14 -119.6(4) . . . . ?
C11 C12 C13 C18 61.3(5) . . . . ?
C18 C13 C14 C15 2.0(5) . . . . ?
C12 C13 C14 C15 -177.1(4) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C14 C15 C16 C17 -1.0(5) . . . . ?
C14 C15 C16 C19 178.8(3) . . . . ?
C15 C16 C17 C18 2.5(5) . . . . ?
C19 C16 C17 C18 -177.3(3) . . . . ?
C16 C17 C18 C13 -1.8(6) . . . . ?
C14 C13 C18 C17 -0.4(5) . . . . ?
C12 C13 C18 C17 178.6(3) . . . . ?
C17 C16 C19 C20 102.6(4) . . . . ?
C15 C16 C19 C20 -77.2(4) . . . . ?
Co2 O8 C20 O9 -9.2(5) 2_564 . . . ?
Co2 O8 C20 C19 170.7(2) 2_564 . . . ?
C16 C19 C20 O9 -136.2(3) . . . . ?
C16 C19 C20 O8 43.9(5) . . . . ?
C22 N1 C21 N2 -0.4(4) . . . . ?
Co1 N1 C21 N2 -177.3(2) . . . . ?
C23 N2 C21 N1 1.0(5) . . . . ?
C24 N2 C21 N1 178.5(4) . . . . ?
C21 N1 C22 C23 -0.5(4) . . . . ?
Co1 N1 C22 C23 176.6(3) . . . . ?
N1 C22 C23 N2 1.1(5) . . . . ?
C21 N2 C23 C22 -1.3(4) . . . . ?
C24 N2 C23 C22 -178.7(4) . . . . ?
C21 N2 C24 C25 110.6(4) . . . . ?
C23 N2 C24 C25 -72.5(6) . . . . ?
N2 C24 C25 C30 -57.7(6) . . . . ?
N2 C24 C25 C26 123.2(4) . . . . ?
C30 C25 C26 C27 -1.2(6) . . . . ?
C24 C25 C26 C27 177.9(4) . . . . ?
C25 C26 C27 C28 0.9(6) . . . . ?
C25 C26 C27 C31 178.1(3) . . . . ?
C26 C27 C28 C29 -0.1(8) . . . . ?
C31 C27 C28 C29 -177.3(5) . . . . ?
C27 C28 C29 C30 -0.4(11) . . . . ?
C26 C25 C30 C29 0.6(8) . . . . ?
C24 C25 C30 C29 -178.4(6) . . . . ?
C28 C29 C30 C25 0.1(11) . . . . ?
C33 N3 C31 C27 59.4(5) . . . . ?
C32 N3 C31 C27 -115.1(4) . . . . ?
C28 C27 C31 N3 72.3(5) . . . . ?
C26 C27 C31 N3 -104.8(4) . . . . ?
C34 N4 C32 N3 0.7(4) . . . . ?
Co2 N4 C32 N3 -172.0(2) 2_674 . . . ?
C33 N3 C32 N4 0.0(4) . . . . ?
C31 N3 C32 N4 175.3(3) . . . . ?
C32 N3 C33 C34 -0.7(4) . . . . ?
C31 N3 C33 C34 -176.1(3) . . . . ?
N3 C33 C34 N4 1.2(5) . . . . ?
C32 N4 C34 C33 -1.2(4) . . . . ?
Co2 N4 C34 C33 172.2(3) 2_674 . . . ?
C36 N5 C35 N6 -0.1(4) . . . . ?
Co1 N5 C35 N6 -167.9(2) . . . . ?
C37 N6 C35 N5 0.3(4) . . . . ?
C38 N6 C35 N5 178.2(3) . . . . ?
C35 N5 C36 C37 -0.2(4) . . . . ?
Co1 N5 C36 C37 166.6(3) . . . . ?
N5 C36 C37 N6 0.4(5) . . . . ?
C35 N6 C37 C36 -0.4(4) . . . . ?
C38 N6 C37 C36 -178.2(4) . . . . ?
C35 N6 C38 C39 -60.5(6) . . . . ?
C37 N6 C38 C39 116.9(5) . . . . ?
N6 C38 C39 C40 -30.7(7) . . . . ?
N6 C38 C39 C44 149.9(4) . . . . ?
C44 C39 C40 C41 -2.5(9) . . . . ?
C38 C39 C40 C41 178.2(6) . . . . ?
C39 C40 C41 C42 1.8(11) . . . . ?
C40 C41 C42 C43 -1.1(11) . . . . ?
C41 C42 C43 C44 1.1(10) . . . . ?
C41 C42 C43 C45 179.9(6) . . . . ?
C40 C39 C44 C43 2.6(7) . . . . ?
C38 C39 C44 C43 -178.1(4) . . . . ?
C42 C43 C44 C39 -1.8(7) . . . . ?
C45 C43 C44 C39 179.3(4) . . . . ?
C46 N7 C45 C43 107.2(5) . . . . ?
C47 N7 C45 C43 -66.1(5) . . . . ?
C42 C43 C45 N7 -47.5(7) . . . . ?
C44 C43 C45 N7 131.3(4) . . . . ?
C48 N8 C46 N7 0.3(4) . . . . ?
Co2 N8 C46 N7 167.9(2) 2_674 . . . ?
C47 N7 C46 N8 -0.1(4) . . . . ?
C45 N7 C46 N8 -174.5(4) . . . . ?
C46 N7 C47 C48 -0.2(4) . . . . ?
C45 N7 C47 C48 174.2(4) . . . . ?
N7 C47 C48 N8 0.3(5) . . . . ?
C46 N8 C48 C47 -0.4(4) . . . . ?
Co2 N8 C48 C47 -167.0(3) 2_674 . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.37
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.047
_database_code_depnum_ccdc_archive 'CCDC 943097'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_z

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H82 Cl2 Co5 N16 O22'
_chemical_formula_weight         2057.23

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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.949(6)
_cell_length_b                   12.429(5)
_cell_length_c                   16.064(7)
_cell_angle_alpha                93.020(8)
_cell_angle_beta                 94.659(5)
_cell_angle_gamma                101.286(6)
_cell_volume                     2326.2(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1055
_exptl_absorpt_coefficient_mu    1.009
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8160
_exptl_absorpt_correction_T_max  0.8552
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21213
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         25.50
_reflns_number_total             8637
_reflns_number_gt                7558
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

These restraints mainly to deal with the disorder of perchlorate, refinement
for distances of Cl-O bond and O...O. And the Cl and O atoms were refined by
the commands: DELU, SIMU and ISOR.
In addition, the C3-C9 ring, C41-C46 ring and corresponding C atoms were
refined by the commands: DELU, SIMU and ISOR.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0832P)²+1.8006P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8637
_refine_ls_number_parameters     632
_refine_ls_number_restraints     386
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_ref         0.1480
_refine_ls_wR_factor_gt          0.1403
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.097
_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
O8 O 0.9018(7) 0.2967(6) 1.0098(5) 0.153(2) Uani 0.702(4) 1 d PDU A 1
O9 O 0.9079(5) 0.1224(5) 0.9605(4) 0.1089(18) Uani 0.702(4) 1 d PDU A 1
O10 O 0.7339(4) 0.1800(6) 0.9542(5) 0.123(2) Uani 0.702(4) 1 d PDU A 1
O11 O 0.8684(7) 0.2504(7) 0.8695(4) 0.150(2) Uani 0.702(4) 1 d PDU A 1
O8' O 0.8638(14) 0.3203(8) 0.9278(10) 0.153(2) Uani 0.298(4) 1 d PDU A 2
O9' O 0.9534(9) 0.1924(12) 0.9867(9) 0.1089(18) Uani 0.298(4) 1 d PDU A 2
O10' O 0.7744(10) 0.2034(13) 1.0188(8) 0.123(2) Uani 0.298(4) 1 d PDU A 2
O11' O 0.8005(13) 0.1377(11) 0.8875(7) 0.150(2) Uani 0.298(4) 1 d PDU A 2
Co1 Co 0.5000 0.5000 0.5000 0.02818(15) Uani 1 2 d S . .
Co2 Co 0.65295(3) 0.69900(3) 0.42720(2) 0.03128(14) Uani 1 1 d . . .
Co3 Co 0.44793(4) 0.47437(3) 0.30432(3) 0.03367(14) Uani 1 1 d . . .
Cl1 Cl 0.85018(11) 0.21419(13) 0.95211(10) 0.0843(4) Uani 1 1 d DU . .
O1 O 0.4654(2) 0.31490(18) 0.34274(14) 0.0442(6) Uani 1 1 d . . .
O2 O 0.48264(19) 0.33057(17) 0.48281(13) 0.0356(5) Uani 1 1 d . . .
O3 O 0.4163(2) -0.37817(19) 0.27268(16) 0.0513(7) Uani 1 1 d . . .
O4 O 0.5370(2) -0.24103(19) 0.34860(15) 0.0430(6) Uani 1 1 d . . .
O5 O 0.58134(18) 0.53602(16) 0.39240(12) 0.0301(4) Uani 1 1 d . . .
H5A H 0.6367 0.4981 0.3972 0.045 Uiso 1 1 d R . .
O6 O 0.23159(19) 0.3601(2) 0.48458(15) 0.0431(6) Uani 1 1 d . . .
O7 O 0.34724(18) 0.49059(18) 0.42283(14) 0.0365(5) Uani 1 1 d . . .
N1 N 0.5495(3) 0.4477(2) 0.20419(17) 0.0436(7) Uani 1 1 d . . .
N2 N 0.5854(3) 0.3911(3) 0.07808(19) 0.0523(8) Uani 1 1 d . . .
N3 N 0.1635(3) 0.2675(3) -0.21325(19) 0.0587(9) Uani 1 1 d . . .
N4 N 0.2275(2) 0.2922(2) -0.33670(17) 0.0405(6) Uani 1 1 d . . .
N5 N 0.2983(3) 0.3937(3) 0.23085(18) 0.0459(7) Uani 1 1 d . . .
N6 N 0.1803(3) 0.2587(3) 0.1563(2) 0.0653(10) Uani 1 1 d . . .
N7 N 0.1776(3) -0.0057(3) 0.4451(2) 0.0546(8) Uani 1 1 d . . .
N8 N 0.2768(3) 0.1391(2) 0.52080(19) 0.0425(7) Uani 1 1 d . . .
C1 C 0.4843(3) 0.2796(2) 0.4121(2) 0.0332(6) Uani 1 1 d . . .
C2 C 0.5197(4) 0.1688(3) 0.4181(2) 0.0477(9) Uani 1 1 d . . .
H2A H 0.5994 0.1822 0.4405 0.057 Uiso 1 1 calc R . .
H2B H 0.4750 0.1285 0.4585 0.057 Uiso 1 1 calc R . .
C3 C 0.5068(3) 0.0960(3) 0.3386(2) 0.0423(8) Uani 1 1 d U . .
C4 C 0.4443(3) -0.0101(3) 0.3353(3) 0.0486(8) Uani 1 1 d U . .
H4 H 0.4039 -0.0329 0.3805 0.058 Uiso 1 1 calc R . .
C5 C 0.4399(4) -0.0837(3) 0.2670(3) 0.0616(11) Uani 1 1 d U . .
C6 C 0.5016(5) -0.0483(4) 0.2012(3) 0.0776(13) Uani 1 1 d U . .
H6 H 0.5011 -0.0968 0.1551 0.093 Uiso 1 1 calc R . .
C7 C 0.5638(5) 0.0572(4) 0.2026(3) 0.0753(13) Uani 1 1 d U . .
H7 H 0.6040 0.0797 0.1573 0.090 Uiso 1 1 calc R . .
C8 C 0.5668(4) 0.1304(3) 0.2715(3) 0.0578(10) Uani 1 1 d U . .
H8 H 0.6088 0.2019 0.2725 0.069 Uiso 1 1 calc R . .
C9 C 0.3774(4) -0.2015(4) 0.2676(4) 0.0841(16) Uani 1 1 d U . .
H9A H 0.3445 -0.2270 0.2111 0.101 Uiso 1 1 calc R . .
H9B H 0.3146 -0.2039 0.3025 0.101 Uiso 1 1 calc R . .
C10 C 0.4510(3) -0.2802(3) 0.2987(2) 0.0414(8) Uani 1 1 d . . .
C11 C 0.5052(3) 0.4090(3) 0.1277(2) 0.0514(9) Uani 1 1 d . . .
H11 H 0.4272 0.3957 0.1105 0.062 Uiso 1 1 calc R . .
C12 C 0.6646(4) 0.4534(4) 0.2020(3) 0.0614(11) Uani 1 1 d . . .
H12 H 0.7193 0.4776 0.2471 0.074 Uiso 1 1 calc R . .
C13 C 0.6881(4) 0.4188(4) 0.1251(3) 0.0632(11) Uani 1 1 d . . .
H13 H 0.7598 0.4149 0.1080 0.076 Uiso 1 1 calc R . .
C14 C 0.5639(4) 0.3524(4) -0.0118(2) 0.0620(11) Uani 1 1 d . . .
H14A H 0.6282 0.3224 -0.0290 0.074 Uiso 1 1 calc R . .
H14B H 0.5568 0.4140 -0.0452 0.074 Uiso 1 1 calc R . .
C15 C 0.4561(4) 0.2658(3) -0.0269(2) 0.0532(10) Uani 1 1 d . . .
C16 C 0.3586(4) 0.2877(4) -0.0701(2) 0.0548(10) Uani 1 1 d . . .
H16 H 0.3603 0.3568 -0.0900 0.066 Uiso 1 1 calc R . .
C17 C 0.2576(4) 0.2074(5) -0.0841(2) 0.0673(13) Uani 1 1 d . . .
C18 C 0.2569(5) 0.1057(5) -0.0514(3) 0.0795(16) Uani 1 1 d . . .
H18 H 0.1911 0.0508 -0.0597 0.095 Uiso 1 1 calc R . .
C19 C 0.3545(6) 0.0861(4) -0.0065(3) 0.0819(16) Uani 1 1 d . . .
H19 H 0.3531 0.0186 0.0163 0.098 Uiso 1 1 calc R . .
C20 C 0.4523(5) 0.1651(4) 0.0045(3) 0.0704(13) Uani 1 1 d . . .
H20 H 0.5174 0.1503 0.0337 0.084 Uiso 1 1 calc R . .
C21 C 0.1507(4) 0.2325(7) -0.1270(3) 0.099(2) Uani 1 1 d . . .
H21A H 0.0902 0.1675 -0.1293 0.118 Uiso 1 1 calc R . .
H21B H 0.1273 0.2903 -0.0938 0.118 Uiso 1 1 calc R . .
C22 C 0.2455(3) 0.2550(4) -0.2622(2) 0.0525(9) Uani 1 1 d . . .
H22 H 0.3079 0.2239 -0.2459 0.063 Uiso 1 1 calc R . .
C23 C 0.1272(3) 0.3297(3) -0.3351(2) 0.0508(9) Uani 1 1 d . . .
H23 H 0.0921 0.3602 -0.3792 0.061 Uiso 1 1 calc R . .
C24 C 0.0874(3) 0.3152(4) -0.2593(3) 0.0612(11) Uani 1 1 d . . .
H24 H 0.0210 0.3340 -0.2418 0.073 Uiso 1 1 calc R . .
C25 C 0.2702(4) 0.2858(3) 0.2145(2) 0.0541(10) Uani 1 1 d . . .
H25 H 0.3077 0.2356 0.2400 0.065 Uiso 1 1 calc R . .
C26 C 0.1502(4) 0.3541(5) 0.1337(3) 0.0746(14) Uani 1 1 d . . .
H26 H 0.0907 0.3608 0.0944 0.090 Uiso 1 1 calc R . .
C27 C 0.2238(4) 0.4377(4) 0.1795(3) 0.0612(11) Uani 1 1 d . . .
H27 H 0.2237 0.5122 0.1765 0.073 Uiso 1 1 calc R . .
C28 C 0.1222(5) 0.1446(4) 0.1280(3) 0.0801(16) Uani 1 1 d . . .
H28A H 0.1788 0.1019 0.1144 0.096 Uiso 1 1 calc R . .
H28B H 0.0713 0.1453 0.0779 0.096 Uiso 1 1 calc R . .
C29 C 0.0540(4) 0.0919(4) 0.1956(3) 0.0584(11) Uani 1 1 d . . .
C30 C 0.1023(4) 0.0310(4) 0.2513(3) 0.0637(12) Uani 1 1 d . . .
H30 H 0.1761 0.0203 0.2450 0.076 Uiso 1 1 calc R . .
C31 C 0.0464(4) -0.0156(3) 0.3168(3) 0.0592(11) Uani 1 1 d . . .
C32 C -0.0631(4) -0.0013(4) 0.3241(3) 0.0748(14) Uani 1 1 d . . .
H32 H -0.1025 -0.0310 0.3679 0.090 Uiso 1 1 calc R . .
C33 C -0.1158(4) 0.0566(5) 0.2676(4) 0.0871(17) Uani 1 1 d . . .
H33 H -0.1914 0.0629 0.2722 0.104 Uiso 1 1 calc R . .
C34 C -0.0566(5) 0.1062(5) 0.2032(4) 0.0791(14) Uani 1 1 d . . .
H34 H -0.0911 0.1479 0.1663 0.095 Uiso 1 1 calc R . .
C35 C 0.1027(5) -0.0783(4) 0.3786(3) 0.0848(17) Uani 1 1 d . . .
H35A H 0.0442 -0.1280 0.4039 0.102 Uiso 1 1 calc R . .
H35B H 0.1480 -0.1223 0.3495 0.102 Uiso 1 1 calc R . .
C36 C 0.2030(4) 0.1053(3) 0.4552(3) 0.0528(10) Uani 1 1 d . . .
H36 H 0.1723 0.1516 0.4202 0.063 Uiso 1 1 calc R . .
C37 C 0.2990(3) 0.0458(3) 0.5542(3) 0.0507(9) Uani 1 1 d . . .
H37 H 0.3485 0.0441 0.6016 0.061 Uiso 1 1 calc R . .
C38 C 0.2385(4) -0.0433(3) 0.5081(3) 0.0566(10) Uani 1 1 d . . .
H38 H 0.2384 -0.1165 0.5177 0.068 Uiso 1 1 calc R . .
C39 C 0.2496(3) 0.4379(3) 0.43818(19) 0.0351(7) Uani 1 1 d . B .
C40 C 0.1468(3) 0.4792(4) 0.4001(3) 0.0603(11) Uani 1 1 d D . .
H40A H 0.1441 0.4648 0.3406 0.072 Uiso 1 1 d R B .
H40B H 0.1628 0.5577 0.4109 0.072 Uiso 1 1 d R . .
C41 C 0.0344(6) 0.4381(7) 0.4219(5) 0.0513(16) Uani 0.50 1 d PU B -1
C42 C 0.001(2) 0.4902(19) 0.4925(14) 0.044(2) Uani 0.50 1 d PU B -1
H42A H 0.0512 0.5522 0.5230 0.052 Uiso 0.50 1 d PR B -1
C43 C -0.1058(6) 0.4612(6) 0.5220(4) 0.0433(14) Uani 0.50 1 d PU . -1
C44 C -0.1812(7) 0.3706(7) 0.4778(6) 0.0589(18) Uani 0.50 1 d PU B -1
H44 H -0.2529 0.3458 0.4962 0.071 Uiso 0.50 1 calc PR B -1
C45 C -0.1505(8) 0.3184(8) 0.4080(7) 0.072(2) Uani 0.50 1 d PU B -1
H45 H -0.2025 0.2609 0.3784 0.086 Uiso 0.50 1 calc PR B -1
C46 C -0.0422(8) 0.3514(8) 0.3819(6) 0.066(2) Uani 0.50 1 d PU B -1
H46 H -0.0213 0.3137 0.3361 0.079 Uiso 0.50 1 calc PR B -1


_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
O8 Cl1 1.360(6) . ?
O9 Cl1 1.451(5) . ?
O10 Cl1 1.375(5) . ?
O11 Cl1 1.444(6) . ?
O8' Cl1 1.379(9) . ?
O9' Cl1 1.392(8) . ?
O10' Cl1 1.452(9) . ?
O11' Cl1 1.382(9) . ?
Co1 O2 2.077(2) . ?
Co1 O2 2.077(2) 2_666 ?
Co1 O5 2.078(2) . ?
Co1 O5 2.078(2) 2_666 ?
Co1 O7 2.101(2) . ?
Co1 O7 2.101(2) 2_666 ?
Co2 O5 2.067(2) . ?
Co2 O4 2.071(2) 1_565 ?
Co2 N4 2.112(3) 2_665 ?
Co2 N8 2.122(3) 2_666 ?
Co2 O6 2.154(2) 2_666 ?
Co2 O2 2.248(2) 2_666 ?
Co3 O3 2.024(3) 1_565 ?
Co3 O5 2.043(2) . ?
Co3 N5 2.103(3) . ?
Co3 N1 2.142(3) . ?
Co3 O1 2.150(2) . ?
Co3 O7 2.354(2) . ?
O1 C1 1.239(4) . ?
O2 C1 1.274(4) . ?
O2 Co2 2.248(2) 2_666 ?
O3 C10 1.245(4) . ?
O3 Co3 2.024(3) 1_545 ?
O4 C10 1.251(4) . ?
O4 Co2 2.071(2) 1_545 ?
O5 H5A 0.8851 . ?
O6 C39 1.248(4) . ?
O6 Co2 2.154(2) 2_666 ?
O7 C39 1.272(4) . ?
N1 C11 1.324(5) . ?
N1 C12 1.367(5) . ?
N2 C11 1.340(5) . ?
N2 C13 1.361(5) . ?
N2 C14 1.484(5) . ?
N3 C22 1.333(5) . ?
N3 C24 1.369(6) . ?
N3 C21 1.485(5) . ?
N4 C22 1.322(5) . ?
N4 C23 1.369(5) . ?
N4 Co2 2.112(3) 2_665 ?
N5 C25 1.323(5) . ?
N5 C27 1.376(5) . ?
N6 C25 1.343(5) . ?
N6 C26 1.364(7) . ?
N6 C28 1.482(6) . ?
N7 C36 1.352(5) . ?
N7 C38 1.355(5) . ?
N7 C35 1.478(5) . ?
N8 C36 1.313(5) . ?
N8 C37 1.366(5) . ?
N8 Co2 2.122(3) 2_666 ?
C1 C2 1.523(4) . ?
C2 C3 1.506(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.378(5) . ?
C3 C8 1.383(5) . ?
C4 C5 1.382(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(7) . ?
C5 C9 1.508(6) . ?
C6 C7 1.372(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(6) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.515(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 H11 0.9300 . ?
C12 C13 1.355(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.502(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C20 1.368(6) . ?
C15 C16 1.388(6) . ?
C16 C17 1.401(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.393(8) . ?
C17 C21 1.496(7) . ?
C18 C19 1.391(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.364(8) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22 0.9300 . ?
C23 C24 1.351(6) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.360(6) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.511(6) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.366(7) . ?
C29 C34 1.382(7) . ?
C30 C31 1.384(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.368(7) . ?
C31 C35 1.491(7) . ?
C32 C33 1.374(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.403(8) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36 0.9300 . ?
C37 C38 1.346(5) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.518(5) . ?
C40 C41 1.419(8) . ?
C40 C43 1.580(7) 2_566 ?
C40 H40A 0.9600 . ?
C40 H40B 0.9601 . ?
C41 C46 1.363(13) . ?
C41 C42 1.40(2) . ?
C42 C43 1.39(3) . ?
C42 H42A 0.9600 . ?
C43 C44 1.413(11) . ?
C43 C40 1.580(7) 2_566 ?
C44 C45 1.378(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.384(12) . ?
C45 H45 0.9300 . ?
C46 H46 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
O2 Co1 O2 180.000(1) . 2_666 ?
O2 Co1 O5 95.87(8) . . ?
O2 Co1 O5 84.13(8) 2_666 . ?
O2 Co1 O5 84.13(8) . 2_666 ?
O2 Co1 O5 95.87(8) 2_666 2_666 ?
O5 Co1 O5 180.000(1) . 2_666 ?
O2 Co1 O7 89.88(9) . . ?
O2 Co1 O7 90.12(9) 2_666 . ?
O5 Co1 O7 85.29(9) . . ?
O5 Co1 O7 94.71(9) 2_666 . ?
O2 Co1 O7 90.12(9) . 2_666 ?
O2 Co1 O7 89.88(9) 2_666 2_666 ?
O5 Co1 O7 94.71(9) . 2_666 ?
O5 Co1 O7 85.29(9) 2_666 2_666 ?
O7 Co1 O7 180.000(1) . 2_666 ?
O5 Co2 O4 94.10(9) . 1_565 ?
O5 Co2 N4 93.08(10) . 2_665 ?
O4 Co2 N4 92.53(11) 1_565 2_665 ?
O5 Co2 N8 172.51(10) . 2_666 ?
O4 Co2 N8 90.18(11) 1_565 2_666 ?
N4 Co2 N8 92.86(12) 2_665 2_666 ?
O5 Co2 O6 87.05(9) . 2_666 ?
O4 Co2 O6 176.46(10) 1_565 2_666 ?
N4 Co2 O6 90.76(11) 2_665 2_666 ?
N8 Co2 O6 88.32(11) 2_666 2_666 ?
O5 Co2 O2 80.22(8) . 2_666 ?
O4 Co2 O2 87.58(10) 1_565 2_666 ?
N4 Co2 O2 173.29(9) 2_665 2_666 ?
N8 Co2 O2 93.85(10) 2_666 2_666 ?
O6 Co2 O2 89.32(9) 2_666 2_666 ?
O3 Co3 O5 96.08(9) 1_565 . ?
O3 Co3 N5 90.26(12) 1_565 . ?
O5 Co3 N5 169.64(10) . . ?
O3 Co3 N1 97.42(12) 1_565 . ?
O5 Co3 N1 96.77(10) . . ?
N5 Co3 N1 90.50(12) . . ?
O3 Co3 O1 174.41(11) 1_565 . ?
O5 Co3 O1 86.16(9) . . ?
N5 Co3 O1 86.81(11) . . ?
N1 Co3 O1 87.37(11) . . ?
O3 Co3 O7 88.40(10) 1_565 . ?
O5 Co3 O7 79.84(9) . . ?
N5 Co3 O7 92.20(11) . . ?
N1 Co3 O7 173.57(10) . . ?
O1 Co3 O7 86.95(9) . . ?
O8 Cl1 O10 115.7(4) . . ?
O8 Cl1 O8' 62.6(7) . . ?
O10 Cl1 O8' 104.8(8) . . ?
O8 Cl1 O11' 174.3(7) . . ?
O10 Cl1 O11' 66.8(7) . . ?
O8' Cl1 O11' 112.0(6) . . ?
O8 Cl1 O9' 70.1(7) . . ?
O10 Cl1 O9' 140.6(7) . . ?
O8' Cl1 O9' 111.3(6) . . ?
O11' Cl1 O9' 111.6(6) . . ?
O8 Cl1 O11 108.8(4) . . ?
O10 Cl1 O11 107.0(4) . . ?
O8' Cl1 O11 52.8(7) . . ?
O11' Cl1 O11 65.5(6) . . ?
O9' Cl1 O11 107.2(7) . . ?
O8 Cl1 O9 108.6(4) . . ?
O10 Cl1 O9 110.7(4) . . ?
O8' Cl1 O9 143.1(7) . . ?
O11' Cl1 O9 74.4(7) . . ?
O9' Cl1 O9 40.4(6) . . ?
O11 Cl1 O9 105.6(4) . . ?
O8 Cl1 O10' 76.6(7) . . ?
O10 Cl1 O10' 46.0(6) . . ?
O8' Cl1 O10' 108.2(6) . . ?
O11' Cl1 O10' 107.7(6) . . ?
O9' Cl1 O10' 105.7(6) . . ?
O11 Cl1 O10' 146.4(7) . . ?
O9 Cl1 O10' 103.6(7) . . ?
C1 O1 Co3 132.8(2) . . ?
C1 O2 Co1 123.8(2) . . ?
C1 O2 Co2 128.1(2) . 2_666 ?
Co1 O2 Co2 92.10(8) . 2_666 ?
C10 O3 Co3 136.5(2) . 1_545 ?
C10 O4 Co2 137.0(2) . 1_545 ?
Co3 O5 Co2 128.06(10) . . ?
Co3 O5 Co1 99.36(9) . . ?
Co2 O5 Co1 97.48(8) . . ?
Co3 O5 H5A 116.1 . . ?
Co2 O5 H5A 107.8 . . ?
Co1 O5 H5A 101.7 . . ?
C39 O6 Co2 130.4(2) . 2_666 ?
C39 O7 Co1 124.6(2) . . ?
C39 O7 Co3 129.4(2) . . ?
Co1 O7 Co3 89.50(9) . . ?
C11 N1 C12 104.1(3) . . ?
C11 N1 Co3 123.4(3) . . ?
C12 N1 Co3 132.1(2) . . ?
C11 N2 C13 106.9(3) . . ?
C11 N2 C14 125.4(3) . . ?
C13 N2 C14 127.7(3) . . ?
C22 N3 C24 106.7(3) . . ?
C22 N3 C21 128.0(4) . . ?
C24 N3 C21 125.2(4) . . ?
C22 N4 C23 105.5(3) . . ?
C22 N4 Co2 122.8(3) . 2_665 ?
C23 N4 Co2 131.4(2) . 2_665 ?
C25 N5 C27 106.2(3) . . ?
C25 N5 Co3 123.9(3) . . ?
C27 N5 Co3 129.0(3) . . ?
C25 N6 C26 107.3(4) . . ?
C25 N6 C28 124.8(4) . . ?
C26 N6 C28 127.7(4) . . ?
C36 N7 C38 107.0(3) . . ?
C36 N7 C35 129.4(4) . . ?
C38 N7 C35 123.6(4) . . ?
C36 N8 C37 105.6(3) . . ?
C36 N8 Co2 130.0(3) . 2_666 ?
C37 N8 Co2 124.4(2) . 2_666 ?
O1 C1 O2 125.8(3) . . ?
O1 C1 C2 120.1(3) . . ?
O2 C1 C2 113.9(3) . . ?
C3 C2 C1 117.2(3) . . ?
C3 C2 H2A 108.0 . . ?
C1 C2 H2A 108.0 . . ?
C3 C2 H2B 108.0 . . ?
C1 C2 H2B 108.0 . . ?
H2A C2 H2B 107.2 . . ?
C4 C3 C8 119.2(4) . . ?
C4 C3 C2 119.9(3) . . ?
C8 C3 C2 120.5(4) . . ?
C3 C4 C5 122.1(4) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C6 C5 C4 117.8(4) . . ?
C6 C5 C9 121.1(4) . . ?
C4 C5 C9 120.9(5) . . ?
C7 C6 C5 121.3(4) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C6 C7 C8 120.2(5) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C3 C8 C7 119.4(4) . . ?
C3 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C5 C9 C10 114.8(4) . . ?
C5 C9 H9A 108.6 . . ?
C10 C9 H9A 108.6 . . ?
C5 C9 H9B 108.6 . . ?
C10 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
O3 C10 O4 127.4(3) . . ?
O3 C10 C9 115.3(3) . . ?
O4 C10 C9 117.4(3) . . ?
N1 C11 N2 112.3(4) . . ?
N1 C11 H11 123.8 . . ?
N2 C11 H11 123.8 . . ?
C13 C12 N1 110.7(4) . . ?
C13 C12 H12 124.7 . . ?
N1 C12 H12 124.7 . . ?
C12 C13 N2 105.9(4) . . ?
C12 C13 H13 127.0 . . ?
N2 C13 H13 127.0 . . ?
N2 C14 C15 110.5(3) . . ?
N2 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
N2 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C20 C15 C16 119.3(4) . . ?
C20 C15 C14 119.9(4) . . ?
C16 C15 C14 120.8(4) . . ?
C15 C16 C17 121.1(4) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 118.0(5) . . ?
C18 C17 C21 120.6(5) . . ?
C16 C17 C21 121.2(5) . . ?
C19 C18 C17 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.5(5) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C15 121.0(5) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
N3 C21 C17 113.8(4) . . ?
N3 C21 H21A 108.8 . . ?
C17 C21 H21A 108.8 . . ?
N3 C21 H21B 108.8 . . ?
C17 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
N4 C22 N3 111.8(4) . . ?
N4 C22 H22 124.1 . . ?
N3 C22 H22 124.1 . . ?
C24 C23 N4 109.2(4) . . ?
C24 C23 H23 125.4 . . ?
N4 C23 H23 125.4 . . ?
C23 C24 N3 106.8(4) . . ?
C23 C24 H24 126.6 . . ?
N3 C24 H24 126.6 . . ?
N5 C25 N6 110.9(4) . . ?
N5 C25 H25 124.5 . . ?
N6 C25 H25 124.5 . . ?
C27 C26 N6 106.8(4) . . ?
C27 C26 H26 126.6 . . ?
N6 C26 H26 126.6 . . ?
C26 C27 N5 108.7(4) . . ?
C26 C27 H27 125.7 . . ?
N5 C27 H27 125.7 . . ?
N6 C28 C29 110.5(4) . . ?
N6 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
N6 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C30 C29 C34 119.1(4) . . ?
C30 C29 C28 120.0(4) . . ?
C34 C29 C28 120.8(5) . . ?
C29 C30 C31 122.9(4) . . ?
C29 C30 H30 118.5 . . ?
C31 C30 H30 118.5 . . ?
C32 C31 C30 117.8(5) . . ?
C32 C31 C35 120.4(5) . . ?
C30 C31 C35 121.8(5) . . ?
C31 C32 C33 120.9(5) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C32 C33 C34 120.6(5) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 118.6(5) . . ?
C29 C34 H34 120.7 . . ?
C33 C34 H34 120.7 . . ?
N7 C35 C31 112.6(4) . . ?
N7 C35 H35A 109.1 . . ?
C31 C35 H35A 109.1 . . ?
N7 C35 H35B 109.1 . . ?
C31 C35 H35B 109.1 . . ?
H35A C35 H35B 107.8 . . ?
N8 C36 N7 111.0(3) . . ?
N8 C36 H36 124.5 . . ?
N7 C36 H36 124.5 . . ?
C38 C37 N8 109.8(4) . . ?
C38 C37 H37 125.1 . . ?
N8 C37 H37 125.1 . . ?
C37 C38 N7 106.6(3) . . ?
C37 C38 H38 126.7 . . ?
N7 C38 H38 126.7 . . ?
O6 C39 O7 126.0(3) . . ?
O6 C39 C40 117.9(3) . . ?
O7 C39 C40 116.0(3) . . ?
C41 C40 C39 121.6(4) . . ?
C41 C40 C43 62.6(5) . 2_566 ?
C39 C40 C43 102.9(4) . 2_566 ?
C41 C40 H40A 106.1 . . ?
C39 C40 H40A 106.5 . . ?
C43 C40 H40A 149.8 2_566 . ?
C41 C40 H40B 107.9 . . ?
C39 C40 H40B 107.1 . . ?
C43 C40 H40B 57.0 2_566 . ?
H40A C40 H40B 106.9 . . ?
C46 C41 C42 117.6(13) . . ?
C46 C41 C40 126.0(7) . . ?
C42 C41 C40 116.3(12) . . ?
C43 C42 C41 123.8(16) . . ?
C43 C42 H42A 114.5 . . ?
C41 C42 H42A 121.6 . . ?
C42 C43 C44 115.7(9) . . ?
C42 C43 C40 124.9(9) . 2_566 ?
C44 C43 C40 119.3(6) . 2_566 ?
C45 C44 C43 121.3(8) . . ?
C45 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?
C44 C45 C46 120.0(9) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 121.4(9) . . ?
C41 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?

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
O3 Co3 O1 C1 -73.2(10) 1_565 . . . ?
O5 Co3 O1 C1 40.6(3) . . . . ?
N5 Co3 O1 C1 -131.7(3) . . . . ?
N1 Co3 O1 C1 137.6(3) . . . . ?
O7 Co3 O1 C1 -39.4(3) . . . . ?
O2 Co1 O2 C1 -106(100) 2_666 . . . ?
O5 Co1 O2 C1 -22.0(2) . . . . ?
O5 Co1 O2 C1 158.0(2) 2_666 . . . ?
O7 Co1 O2 C1 63.2(2) . . . . ?
O7 Co1 O2 C1 -116.8(2) 2_666 . . . ?
O2 Co1 O2 Co2 114(100) 2_666 . . 2_666 ?
O5 Co1 O2 Co2 -162.08(8) . . . 2_666 ?
O5 Co1 O2 Co2 17.92(8) 2_666 . . 2_666 ?
O7 Co1 O2 Co2 -76.83(9) . . . 2_666 ?
O7 Co1 O2 Co2 103.17(9) 2_666 . . 2_666 ?
O3 Co3 O5 Co2 -1.65(15) 1_565 . . . ?
N5 Co3 O5 Co2 -129.2(6) . . . . ?
N1 Co3 O5 Co2 96.60(14) . . . . ?
O1 Co3 O5 Co2 -176.51(13) . . . . ?
O7 Co3 O5 Co2 -88.92(13) . . . . ?
O3 Co3 O5 Co1 105.61(11) 1_565 . . . ?
N5 Co3 O5 Co1 -21.9(6) . . . . ?
N1 Co3 O5 Co1 -156.14(10) . . . . ?
O1 Co3 O5 Co1 -69.25(9) . . . . ?
O7 Co3 O5 Co1 18.33(8) . . . . ?
O4 Co2 O5 Co3 2.97(14) 1_565 . . . ?
N4 Co2 O5 Co3 -89.79(14) 2_665 . . . ?
N8 Co2 O5 Co3 127.8(7) 2_666 . . . ?
O6 Co2 O5 Co3 179.61(13) 2_666 . . . ?
O2 Co2 O5 Co3 89.80(13) 2_666 . . . ?
O4 Co2 O5 Co1 -105.16(10) 1_565 . . . ?
N4 Co2 O5 Co1 162.09(10) 2_665 . . . ?
N8 Co2 O5 Co1 19.6(8) 2_666 . . . ?
O6 Co2 O5 Co1 71.49(10) 2_666 . . . ?
O2 Co2 O5 Co1 -18.33(8) 2_666 . . . ?
O2 Co1 O5 Co3 69.03(9) . . . . ?
O2 Co1 O5 Co3 -110.97(9) 2_666 . . . ?
O5 Co1 O5 Co3 -152(100) 2_666 . . . ?
O7 Co1 O5 Co3 -20.36(9) . . . . ?
O7 Co1 O5 Co3 159.64(9) 2_666 . . . ?
O2 Co1 O5 Co2 -160.29(9) . . . . ?
O2 Co1 O5 Co2 19.71(9) 2_666 . . . ?
O5 Co1 O5 Co2 -21(100) 2_666 . . . ?
O7 Co1 O5 Co2 110.32(9) . . . . ?
O7 Co1 O5 Co2 -69.68(9) 2_666 . . . ?
O2 Co1 O7 C39 61.4(2) . . . . ?
O2 Co1 O7 C39 -118.6(2) 2_666 . . . ?
O5 Co1 O7 C39 157.3(2) . . . . ?
O5 Co1 O7 C39 -22.7(2) 2_666 . . . ?
O7 Co1 O7 C39 -70(100) 2_666 . . . ?
O2 Co1 O7 Co3 -78.56(8) . . . . ?
O2 Co1 O7 Co3 101.44(8) 2_666 . . . ?
O5 Co1 O7 Co3 17.34(8) . . . . ?
O5 Co1 O7 Co3 -162.66(8) 2_666 . . . ?
O7 Co1 O7 Co3 150(100) 2_666 . . . ?
O3 Co3 O7 C39 108.9(3) 1_565 . . . ?
O5 Co3 O7 C39 -154.7(3) . . . . ?
N5 Co3 O7 C39 18.7(3) . . . . ?
N1 Co3 O7 C39 -96.1(9) . . . . ?
O1 Co3 O7 C39 -68.0(3) . . . . ?
O3 Co3 O7 Co1 -114.34(9) 1_565 . . . ?
O5 Co3 O7 Co1 -17.87(8) . . . . ?
N5 Co3 O7 Co1 155.45(11) . . . . ?
N1 Co3 O7 Co1 40.7(9) . . . . ?
O1 Co3 O7 Co1 68.77(9) . . . . ?
O3 Co3 N1 C11 -81.4(3) 1_565 . . . ?
O5 Co3 N1 C11 -178.5(3) . . . . ?
N5 Co3 N1 C11 8.9(3) . . . . ?
O1 Co3 N1 C11 95.7(3) . . . . ?
O7 Co3 N1 C11 123.8(8) . . . . ?
O3 Co3 N1 C12 106.0(4) 1_565 . . . ?
O5 Co3 N1 C12 8.9(4) . . . . ?
N5 Co3 N1 C12 -163.7(4) . . . . ?
O1 Co3 N1 C12 -76.9(4) . . . . ?
O7 Co3 N1 C12 -48.9(10) . . . . ?
O3 Co3 N5 C25 171.8(3) 1_565 . . . ?
O5 Co3 N5 C25 -60.2(7) . . . . ?
N1 Co3 N5 C25 74.4(3) . . . . ?
O1 Co3 N5 C25 -12.9(3) . . . . ?
O7 Co3 N5 C25 -99.7(3) . . . . ?
O3 Co3 N5 C27 4.7(3) 1_565 . . . ?
O5 Co3 N5 C27 132.6(6) . . . . ?
N1 Co3 N5 C27 -92.7(3) . . . . ?
O1 Co3 N5 C27 179.9(3) . . . . ?
O7 Co3 N5 C27 93.1(3) . . . . ?
Co3 O1 C1 O2 10.6(5) . . . . ?
Co3 O1 C1 C2 -165.6(3) . . . . ?
Co1 O2 C1 O1 -20.6(5) . . . . ?
Co2 O2 C1 O1 104.8(3) 2_666 . . . ?
Co1 O2 C1 C2 155.8(2) . . . . ?
Co2 O2 C1 C2 -78.7(3) 2_666 . . . ?
O1 C1 C2 C3 -12.3(5) . . . . ?
O2 C1 C2 C3 171.0(3) . . . . ?
C1 C2 C3 C4 -125.3(4) . . . . ?
C1 C2 C3 C8 61.5(5) . . . . ?
C8 C3 C4 C5 0.2(6) . . . . ?
C2 C3 C4 C5 -173.1(3) . . . . ?
C3 C4 C5 C6 0.7(6) . . . . ?
C3 C4 C5 C9 175.8(4) . . . . ?
C4 C5 C6 C7 -1.2(7) . . . . ?
C9 C5 C6 C7 -176.3(4) . . . . ?
C5 C6 C7 C8 0.8(8) . . . . ?
C4 C3 C8 C7 -0.6(6) . . . . ?
C2 C3 C8 C7 172.7(4) . . . . ?
C6 C7 C8 C3 0.1(7) . . . . ?
C6 C5 C9 C10 83.4(6) . . . . ?
C4 C5 C9 C10 -91.5(6) . . . . ?
Co3 O3 C10 O4 13.8(7) 1_545 . . . ?
Co3 O3 C10 C9 -164.3(4) 1_545 . . . ?
Co2 O4 C10 O3 -10.6(7) 1_545 . . . ?
Co2 O4 C10 C9 167.5(4) 1_545 . . . ?
C5 C9 C10 O3 -155.1(4) . . . . ?
C5 C9 C10 O4 26.6(7) . . . . ?
C12 N1 C11 N2 -0.5(5) . . . . ?
Co3 N1 C11 N2 -174.9(3) . . . . ?
C13 N2 C11 N1 0.6(5) . . . . ?
C14 N2 C11 N1 -177.3(4) . . . . ?
C11 N1 C12 C13 0.3(5) . . . . ?
Co3 N1 C12 C13 173.9(3) . . . . ?
N1 C12 C13 N2 0.1(6) . . . . ?
C11 N2 C13 C12 -0.4(5) . . . . ?
C14 N2 C13 C12 177.4(4) . . . . ?
C11 N2 C14 C15 -40.1(6) . . . . ?
C13 N2 C14 C15 142.5(5) . . . . ?
N2 C14 C15 C20 -68.2(5) . . . . ?
N2 C14 C15 C16 109.7(4) . . . . ?
C20 C15 C16 C17 -1.9(6) . . . . ?
C14 C15 C16 C17 -179.8(4) . . . . ?
C15 C16 C17 C18 1.7(6) . . . . ?
C15 C16 C17 C21 177.0(4) . . . . ?
C16 C17 C18 C19 -0.1(6) . . . . ?
C21 C17 C18 C19 -175.4(4) . . . . ?
C17 C18 C19 C20 -1.4(7) . . . . ?
C18 C19 C20 C15 1.3(7) . . . . ?
C16 C15 C20 C19 0.3(6) . . . . ?
C14 C15 C20 C19 178.3(4) . . . . ?
C22 N3 C21 C17 16.9(9) . . . . ?
C24 N3 C21 C17 -166.5(5) . . . . ?
C18 C17 C21 N3 -124.7(5) . . . . ?
C16 C17 C21 N3 60.2(7) . . . . ?
C23 N4 C22 N3 -0.6(5) . . . . ?
Co2 N4 C22 N3 173.8(3) 2_665 . . . ?
C24 N3 C22 N4 0.4(5) . . . . ?
C21 N3 C22 N4 177.5(5) . . . . ?
C22 N4 C23 C24 0.5(5) . . . . ?
Co2 N4 C23 C24 -173.1(3) 2_665 . . . ?
N4 C23 C24 N3 -0.3(5) . . . . ?
C22 N3 C24 C23 0.0(5) . . . . ?
C21 N3 C24 C23 -177.2(5) . . . . ?
C27 N5 C25 N6 -1.0(5) . . . . ?
Co3 N5 C25 N6 -170.6(3) . . . . ?
C26 N6 C25 N5 0.6(5) . . . . ?
C28 N6 C25 N5 -175.6(4) . . . . ?
C25 N6 C26 C27 0.0(5) . . . . ?
C28 N6 C26 C27 176.0(4) . . . . ?
N6 C26 C27 N5 -0.6(6) . . . . ?
C25 N5 C27 C26 1.0(5) . . . . ?
Co3 N5 C27 C26 169.9(3) . . . . ?
C25 N6 C28 C29 71.5(6) . . . . ?
C26 N6 C28 C29 -103.9(6) . . . . ?
N6 C28 C29 C30 -93.1(6) . . . . ?
N6 C28 C29 C34 85.6(5) . . . . ?
C34 C29 C30 C31 -1.5(6) . . . . ?
C28 C29 C30 C31 177.2(4) . . . . ?
C29 C30 C31 C32 1.5(6) . . . . ?
C29 C30 C31 C35 -177.7(4) . . . . ?
C30 C31 C32 C33 0.6(7) . . . . ?
C35 C31 C32 C33 179.8(5) . . . . ?
C31 C32 C33 C34 -2.7(9) . . . . ?
C30 C29 C34 C33 -0.6(7) . . . . ?
C28 C29 C34 C33 -179.3(5) . . . . ?
C32 C33 C34 C29 2.7(9) . . . . ?
C36 N7 C35 C31 -2.2(8) . . . . ?
C38 N7 C35 C31 -179.6(4) . . . . ?
C32 C31 C35 N7 -97.2(6) . . . . ?
C30 C31 C35 N7 81.9(6) . . . . ?
C37 N8 C36 N7 -0.2(5) . . . . ?
Co2 N8 C36 N7 -177.9(3) 2_666 . . . ?
C38 N7 C36 N8 0.2(5) . . . . ?
C35 N7 C36 N8 -177.5(5) . . . . ?
C36 N8 C37 C38 0.1(5) . . . . ?
Co2 N8 C37 C38 177.9(3) 2_666 . . . ?
N8 C37 C38 N7 0.0(5) . . . . ?
C36 N7 C38 C37 -0.1(5) . . . . ?
C35 N7 C38 C37 177.8(5) . . . . ?
Co2 O6 C39 O7 12.2(5) 2_666 . . . ?
Co2 O6 C39 C40 -163.8(3) 2_666 . . . ?
Co1 O7 C39 O6 -22.3(4) . . . . ?
Co3 O7 C39 O6 101.4(4) . . . . ?
Co1 O7 C39 C40 153.8(3) . . . . ?
Co3 O7 C39 C40 -82.6(4) . . . . ?
O6 C39 C40 C41 5.5(7) . . . . ?
O7 C39 C40 C41 -170.9(5) . . . . ?
O6 C39 C40 C43 71.1(5) . . . 2_566 ?
O7 C39 C40 C43 -105.4(4) . . . 2_566 ?
C39 C40 C41 C46 -91.3(9) . . . . ?
C43 C40 C41 C46 -179.9(10) 2_566 . . . ?
C39 C40 C41 C42 86.8(15) . . . . ?
C43 C40 C41 C42 -1.8(14) 2_566 . . . ?
C46 C41 C42 C43 -2(3) . . . . ?
C40 C41 C42 C43 179.3(17) . . . . ?
C41 C42 C43 C44 3(3) . . . . ?
C41 C42 C43 C40 -178.0(15) . . . 2_566 ?
C42 C43 C44 C45 -2.6(18) . . . . ?
C40 C43 C44 C45 177.9(8) 2_566 . . . ?
C43 C44 C45 C46 2.7(15) . . . . ?
C42 C41 C46 C45 2.4(19) . . . . ?
C40 C41 C46 C45 -179.5(8) . . . . ?
C44 C45 C46 C41 -2.6(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.085
_database_code_depnum_ccdc_archive 'CCDC 943098'
