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


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Golam Mostafa'
_publ_contact_author_email       mostafa@phys.jdvu.ac.in
loop_
_publ_author_name
'Rajat Saha'
S.Kumar

data_gs4_gm
_database_code_depnum_ccdc_archive 'CCDC 806999'
#TrackingRef '3669_web_deposit_cif_file_0_RajatSaha_1294386331.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H32 Co2 N4 O8, 2(C6 H5 N)'
_chemical_formula_sum            'C60 H42 Co2 N6 O8'
_chemical_formula_weight         1092.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2

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

_cell_length_a                   12.228(2)
_cell_length_b                   13.654(3)
_cell_length_c                   16.958(3)
_cell_angle_alpha                77.040(10)
_cell_angle_beta                 71.340(10)
_cell_angle_gamma                87.900(10)
_cell_volume                     2612.3(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8986
_cell_measurement_theta_min      1.53
_cell_measurement_theta_max      26.05

_exptl_crystal_description       Rhombohedral
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1124
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_T_max  0.920
_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  ?
_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            13322
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_sigmaI/netI    0.1037
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         26.05
_reflns_number_total             8986
_reflns_number_gt                4172
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for windows (Farrugia, 1997)'
_computing_publication_material  'Platon99 (Spek, 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^)+(0.0613P)^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    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8986
_refine_ls_number_parameters     673
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1045
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1348
_refine_ls_wR_factor_gt          0.1171
_refine_ls_goodness_of_fit_ref   0.811
_refine_ls_restrained_S_all      0.812
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.27462(5) 0.36808(4) 0.11565(4) 0.05183(18) Uani 1 1 d . . .
Co2 Co 0.23372(5) 0.37044(4) 0.36173(4) 0.05357(18) Uani 1 1 d . . .
O1 O 0.1575(3) 0.3826(2) 0.03649(18) 0.0651(8) Uani 1 1 d . . .
O2 O 0.3452(2) 0.3761(2) -0.01931(18) 0.0644(8) Uani 1 1 d . . .
O3 O 0.3538(3) 0.3673(3) -0.5640(2) 0.0763(9) Uani 1 1 d . . .
O4 O 0.1670(3) 0.3522(2) -0.50216(18) 0.0687(8) Uani 1 1 d . . .
O5 O 0.4334(2) 0.3497(2) 0.13338(18) 0.0583(7) Uani 1 1 d . . .
O6 O 0.3729(2) 0.3998(2) 0.25600(18) 0.0588(7) Uani 1 1 d . . .
O7 O 1.1364(2) 0.3601(2) 0.22115(19) 0.0661(8) Uani 1 1 d . . .
O8 O 1.0693(2) 0.3673(2) 0.35634(18) 0.0606(8) Uani 1 1 d . . .
N1 N 0.2616(3) 0.2069(3) 0.1324(2) 0.0593(9) Uani 1 1 d . . .
N2 N 0.2902(3) -0.4719(2) 0.0988(2) 0.0543(9) Uani 1 1 d . . .
N3 N 0.2436(3) 0.2116(3) 0.3697(2) 0.0624(9) Uani 1 1 d . . .
N4 N 0.2178(3) -0.4707(3) 0.3498(2) 0.0587(9) Uani 1 1 d . . .
C1 C 0.3555(4) 0.1544(4) 0.1096(3) 0.0731(13) Uani 1 1 d . . .
H1 H 0.4275 0.1865 0.0940 0.088 Uiso 1 1 calc R . .
C2 C 0.3507(4) 0.0549(4) 0.1082(3) 0.0782(14) Uani 1 1 d . . .
H2 H 0.4188 0.0212 0.0918 0.094 Uiso 1 1 calc R . .
C3 C 0.2447(4) 0.0035(3) 0.1312(3) 0.0688(13) Uani 1 1 d . . .
C4 C 0.1477(4) 0.0573(4) 0.1589(3) 0.0828(15) Uani 1 1 d . . .
H4 H 0.0745 0.0265 0.1783 0.099 Uiso 1 1 calc R . .
C5 C 0.1611(4) 0.1565(4) 0.1573(3) 0.0773(14) Uani 1 1 d . . .
H5 H 0.0944 0.1917 0.1751 0.093 Uiso 1 1 calc R . .
C6 C 0.2324(4) -0.1027(4) 0.1286(3) 0.0807(15) Uani 1 1 d . . .
H6 H 0.1587 -0.1327 0.1538 0.097 Uiso 1 1 calc R . .
C7 C 0.3160(4) -0.1593(4) 0.0941(3) 0.0771(14) Uani 1 1 d . . .
H7 H 0.3894 -0.1288 0.0680 0.092 Uiso 1 1 calc R . .
C8 C 0.3044(4) -0.2656(3) 0.0930(3) 0.0664(12) Uani 1 1 d . . .
C9 C 0.1997(4) -0.3167(4) 0.1073(3) 0.0790(15) Uani 1 1 d . . .
H9 H 0.1319 -0.2816 0.1147 0.095 Uiso 1 1 calc R . .
C10 C 0.1967(4) -0.4153(3) 0.1104(3) 0.0689(13) Uani 1 1 d . . .
H10 H 0.1254 -0.4466 0.1213 0.083 Uiso 1 1 calc R . .
C11 C 0.3906(4) -0.4221(3) 0.0808(3) 0.0579(11) Uani 1 1 d . . .
H11 H 0.4575 -0.4586 0.0705 0.070 Uiso 1 1 calc R . .
C12 C 0.4020(4) -0.3228(3) 0.0764(3) 0.0623(12) Uani 1 1 d . . .
H12 H 0.4749 -0.2929 0.0625 0.075 Uiso 1 1 calc R . .
C13 C 0.2451(4) 0.3797(3) -0.0267(3) 0.0550(11) Uani 1 1 d . . .
C14 C 0.2318(4) 0.3762(3) -0.1102(3) 0.0557(11) Uani 1 1 d . . .
C15 C 0.1197(4) 0.3715(4) -0.1157(3) 0.0691(13) Uani 1 1 d . . .
H15 H 0.0555 0.3708 -0.0678 0.083 Uiso 1 1 calc R . .
C16 C 0.1062(4) 0.3679(4) -0.1914(3) 0.0724(13) Uani 1 1 d . . .
H16 H 0.0321 0.3654 -0.1950 0.087 Uiso 1 1 calc R . .
C17 C 0.2014(4) 0.3679(3) -0.2642(3) 0.0611(12) Uani 1 1 d . . .
C18 C 0.3140(4) 0.3759(3) -0.2598(3) 0.0606(11) Uani 1 1 d . . .
C19 C 0.3245(4) 0.3785(3) -0.1793(3) 0.0624(12) Uani 1 1 d . . .
H19 H 0.3978 0.3819 -0.1745 0.075 Uiso 1 1 calc R . .
C20 C 0.1889(4) 0.3635(3) -0.3440(3) 0.0623(12) Uani 1 1 d . . .
H20 H 0.1152 0.3587 -0.3478 0.075 Uiso 1 1 calc R . .
C21 C 0.2821(4) 0.3660(3) -0.4147(3) 0.0605(11) Uani 1 1 d . . .
C22 C 0.3945(4) 0.3747(4) -0.4104(3) 0.0817(15) Uani 1 1 d . . .
H22 H 0.4585 0.3764 -0.4586 0.098 Uiso 1 1 calc R . .
C23 C 0.4089(4) 0.3807(4) -0.3347(3) 0.0847(16) Uani 1 1 d . . .
H23 H 0.4832 0.3882 -0.3327 0.102 Uiso 1 1 calc R . .
C24 C 0.2689(4) 0.3621(3) -0.4995(3) 0.0612(12) Uani 1 1 d . . .
C25 C 0.4501(4) 0.3720(3) 0.1979(3) 0.0529(10) Uani 1 1 d . . .
C26 C 0.5706(3) 0.3671(3) 0.2018(3) 0.0525(10) Uani 1 1 d . . .
C27 C 0.5917(3) 0.3704(3) 0.2755(3) 0.0561(11) Uani 1 1 d . . .
H27 H 0.5300 0.3749 0.3237 0.067 Uiso 1 1 calc R . .
C28 C 0.7057(3) 0.3672(3) 0.2800(3) 0.0539(10) Uani 1 1 d . . .
C29 C 0.7993(4) 0.3614(3) 0.2064(3) 0.0558(11) Uani 1 1 d . . .
C30 C 0.7758(4) 0.3573(3) 0.1296(3) 0.0622(12) Uani 1 1 d . . .
H30 H 0.8367 0.3543 0.0805 0.075 Uiso 1 1 calc R . .
C31 C 0.6650(4) 0.3579(3) 0.1279(3) 0.0630(12) Uani 1 1 d . . .
H31 H 0.6507 0.3522 0.0784 0.076 Uiso 1 1 calc R . .
C32 C 0.9137(3) 0.3614(3) 0.2101(3) 0.0549(11) Uani 1 1 d . . .
H32 H 0.9758 0.3591 0.1616 0.066 Uiso 1 1 calc R . .
C33 C 0.9329(3) 0.3647(3) 0.2846(3) 0.0527(10) Uani 1 1 d . . .
C34 C 0.8395(4) 0.3682(3) 0.3585(3) 0.0594(11) Uani 1 1 d . . .
H34 H 0.8530 0.3693 0.4093 0.071 Uiso 1 1 calc R . .
C35 C 0.7296(4) 0.3702(3) 0.3555(3) 0.0597(11) Uani 1 1 d . . .
H35 H 0.6687 0.3736 0.4045 0.072 Uiso 1 1 calc R . .
C36 C 1.0549(4) 0.3642(3) 0.2870(3) 0.0518(10) Uani 1 1 d . . .
C37 C 0.3444(4) 0.1677(4) 0.3434(3) 0.0729(13) Uani 1 1 d . . .
H37 H 0.4116 0.2065 0.3297 0.088 Uiso 1 1 calc R . .
C38 C 0.3565(4) 0.0694(4) 0.3351(3) 0.0790(14) Uani 1 1 d . . .
H38 H 0.4294 0.0442 0.3151 0.095 Uiso 1 1 calc R . .
C39 C 0.2590(5) 0.0094(4) 0.3568(3) 0.0749(14) Uani 1 1 d . . .
C40 C 0.1527(5) 0.0521(4) 0.3869(4) 0.0912(17) Uani 1 1 d . . .
H40 H 0.0844 0.0139 0.4033 0.109 Uiso 1 1 calc R . .
C41 C 0.1497(4) 0.1528(4) 0.3921(3) 0.0819(15) Uani 1 1 d . . .
H41 H 0.0781 0.1801 0.4124 0.098 Uiso 1 1 calc R . .
C42 C 0.2679(5) -0.0967(4) 0.3485(4) 0.0922(17) Uani 1 1 d . . .
H42 H 0.3421 -0.1184 0.3260 0.111 Uiso 1 1 calc R . .
C43 C 0.1863(5) -0.1610(4) 0.3687(3) 0.0856(15) Uani 1 1 d . . .
H43 H 0.1118 -0.1399 0.3909 0.103 Uiso 1 1 calc R . .
C44 C 0.1979(4) -0.2660(4) 0.3602(3) 0.0704(13) Uani 1 1 d . . .
C45 C 0.2987(4) -0.3040(4) 0.3113(3) 0.0794(14) Uani 1 1 d . . .
H45 H 0.3627 -0.2608 0.2809 0.095 Uiso 1 1 calc R . .
C46 C 0.3052(4) -0.4042(4) 0.3074(3) 0.0690(13) Uani 1 1 d . . .
H46 H 0.3735 -0.4260 0.2737 0.083 Uiso 1 1 calc R . .
C47 C 0.1194(4) -0.4338(4) 0.3938(3) 0.0758(14) Uani 1 1 d . . .
H47 H 0.0554 -0.4776 0.4214 0.091 Uiso 1 1 calc R . .
C48 C 0.1073(4) -0.3337(4) 0.4005(3) 0.0794(15) Uani 1 1 d . . .
H48 H 0.0371 -0.3131 0.4327 0.095 Uiso 1 1 calc R . .
C49 C 0.0281(17) -0.0318(9) -0.0167(10) 0.242(7) Uani 1 1 d . . .
H49 H -0.0046 -0.0955 -0.0072 0.290 Uiso 1 1 calc R . .
C50 C 0.1605(5) -0.0049(8) -0.0779(4) 0.169(4) Uani 1 1 d G . .
C51 C 0.2222(8) 0.0859(5) -0.0984(5) 0.198(4) Uani 1 1 d G . .
H51 H 0.1868 0.1403 -0.0772 0.238 Uiso 1 1 calc R . .
C52 C 0.3369(8) 0.0952(5) -0.1505(5) 0.255(6) Uani 1 1 d G . .
H52 H 0.3782 0.1560 -0.1642 0.306 Uiso 1 1 calc R . .
N5 N 0.3898(5) 0.0139(8) -0.1821(4) 0.228(4) Uani 1 1 d G . .
C54 C 0.3281(10) -0.0768(6) -0.1616(5) 0.235(6) Uani 1 1 d G . .
H54 H 0.3636 -0.1312 -0.1827 0.282 Uiso 1 1 calc R . .
C55 C 0.2135(9) -0.0862(5) -0.1095(6) 0.209(5) Uani 1 1 d G . .
H55 H 0.1722 -0.1469 -0.0958 0.251 Uiso 1 1 calc R . .
C56 C 0.4646(10) -0.0298(8) 0.5182(8) 0.202(5) Uani 1 1 d D . .
H56 H 0.4807 -0.0968 0.5178 0.243 Uiso 1 1 calc R . .
C57 C 0.3351(7) -0.0023(8) 0.5716(5) 0.134(3) Uani 1 1 d D . .
C58 C 0.2876(9) 0.0898(6) 0.5812(6) 0.152(3) Uani 1 1 d . . .
H58 H 0.3330 0.1488 0.5563 0.182 Uiso 1 1 calc R . .
C59 C 0.1769(9) 0.0936(7) 0.6262(8) 0.200(5) Uani 1 1 d . . .
H59 H 0.1483 0.1564 0.6330 0.240 Uiso 1 1 calc R . .
N6 N 0.1076(7) 0.0179(7) 0.6606(6) 0.190(4) Uani 1 1 d . . .
C61 C 0.1483(9) -0.0672(9) 0.6553(8) 0.205(5) Uani 1 1 d . . .
H61 H 0.0984 -0.1227 0.6845 0.246 Uiso 1 1 calc R . .
C62 C 0.2593(11) -0.0863(6) 0.6106(7) 0.178(4) Uani 1 1 d . . .
H62 H 0.2826 -0.1511 0.6065 0.214 Uiso 1 1 calc R . .

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 0.0469(3) 0.0587(4) 0.0560(4) -0.0165(3) -0.0227(3) 0.0060(3)
Co2 0.0495(4) 0.0612(4) 0.0570(4) -0.0177(3) -0.0239(3) 0.0052(3)
O1 0.0593(19) 0.088(2) 0.052(2) -0.0187(16) -0.0221(16) 0.0093(16)
O2 0.0540(19) 0.086(2) 0.062(2) -0.0232(16) -0.0255(16) 0.0077(15)
O3 0.064(2) 0.118(3) 0.052(2) -0.0313(19) -0.0194(18) 0.0075(19)
O4 0.059(2) 0.097(2) 0.057(2) -0.0189(17) -0.0263(16) 0.0020(16)
O5 0.0538(18) 0.0655(18) 0.066(2) -0.0224(15) -0.0292(15) 0.0090(13)
O6 0.0463(17) 0.074(2) 0.0589(19) -0.0199(16) -0.0178(15) 0.0100(14)
O7 0.0444(18) 0.091(2) 0.065(2) -0.0182(17) -0.0203(16) 0.0053(15)
O8 0.0553(18) 0.077(2) 0.062(2) -0.0264(16) -0.0293(16) 0.0097(14)
N1 0.062(2) 0.056(2) 0.066(2) -0.0171(19) -0.026(2) 0.0046(19)
N2 0.051(2) 0.058(2) 0.060(2) -0.0191(18) -0.0210(18) 0.0057(17)
N3 0.064(3) 0.062(2) 0.068(3) -0.021(2) -0.027(2) 0.002(2)
N4 0.051(2) 0.063(2) 0.066(3) -0.020(2) -0.0199(19) 0.0057(18)
C1 0.066(3) 0.060(3) 0.098(4) -0.029(3) -0.027(3) 0.011(2)
C2 0.060(3) 0.069(3) 0.104(4) -0.027(3) -0.021(3) 0.011(3)
C3 0.068(3) 0.056(3) 0.083(4) -0.022(3) -0.021(3) 0.006(2)
C4 0.062(3) 0.069(3) 0.118(5) -0.036(3) -0.020(3) 0.002(3)
C5 0.061(3) 0.067(3) 0.105(4) -0.027(3) -0.023(3) 0.007(2)
C6 0.070(3) 0.062(3) 0.106(4) -0.021(3) -0.021(3) 0.002(3)
C7 0.064(3) 0.065(3) 0.098(4) -0.025(3) -0.017(3) 0.006(2)
C8 0.067(3) 0.051(3) 0.082(4) -0.023(2) -0.021(3) 0.007(2)
C9 0.055(3) 0.064(3) 0.121(5) -0.034(3) -0.024(3) 0.014(2)
C10 0.051(3) 0.058(3) 0.103(4) -0.025(3) -0.028(3) 0.006(2)
C11 0.051(3) 0.061(3) 0.065(3) -0.019(2) -0.020(2) 0.006(2)
C12 0.057(3) 0.059(3) 0.073(3) -0.016(2) -0.023(2) 0.002(2)
C13 0.057(3) 0.057(3) 0.053(3) -0.013(2) -0.021(2) 0.002(2)
C14 0.058(3) 0.066(3) 0.051(3) -0.020(2) -0.024(2) 0.007(2)
C15 0.055(3) 0.106(4) 0.056(3) -0.032(3) -0.022(2) 0.008(2)
C16 0.051(3) 0.112(4) 0.060(3) -0.026(3) -0.020(2) 0.005(3)
C17 0.058(3) 0.077(3) 0.055(3) -0.018(2) -0.026(2) 0.000(2)
C18 0.053(3) 0.077(3) 0.056(3) -0.018(2) -0.022(2) 0.005(2)
C19 0.059(3) 0.078(3) 0.060(3) -0.023(2) -0.029(3) 0.009(2)
C20 0.051(3) 0.074(3) 0.069(3) -0.020(3) -0.025(3) 0.001(2)
C21 0.053(3) 0.077(3) 0.055(3) -0.014(2) -0.023(2) 0.003(2)
C22 0.053(3) 0.138(5) 0.061(3) -0.036(3) -0.019(3) 0.002(3)
C23 0.050(3) 0.147(5) 0.067(4) -0.036(3) -0.023(3) 0.002(3)
C24 0.069(3) 0.069(3) 0.057(3) -0.019(2) -0.033(3) 0.007(2)
C25 0.052(3) 0.051(3) 0.060(3) -0.008(2) -0.027(2) 0.003(2)
C26 0.045(2) 0.059(3) 0.056(3) -0.013(2) -0.020(2) 0.0037(19)
C27 0.045(2) 0.071(3) 0.058(3) -0.021(2) -0.020(2) 0.005(2)
C28 0.046(2) 0.066(3) 0.055(3) -0.018(2) -0.020(2) 0.005(2)
C29 0.050(3) 0.068(3) 0.055(3) -0.015(2) -0.024(2) 0.008(2)
C30 0.045(3) 0.088(3) 0.056(3) -0.018(2) -0.018(2) 0.008(2)
C31 0.054(3) 0.088(3) 0.055(3) -0.015(2) -0.028(2) 0.005(2)
C32 0.043(2) 0.068(3) 0.056(3) -0.017(2) -0.018(2) 0.005(2)
C33 0.048(3) 0.060(3) 0.058(3) -0.014(2) -0.027(2) 0.0059(19)
C34 0.051(3) 0.079(3) 0.053(3) -0.021(2) -0.020(2) 0.006(2)
C35 0.049(3) 0.084(3) 0.053(3) -0.025(2) -0.020(2) 0.010(2)
C36 0.048(3) 0.052(3) 0.059(3) -0.015(2) -0.019(2) 0.0015(19)
C37 0.064(3) 0.069(3) 0.087(4) -0.013(3) -0.028(3) 0.007(2)
C38 0.069(3) 0.067(3) 0.104(4) -0.021(3) -0.031(3) 0.007(3)
C39 0.078(4) 0.066(3) 0.092(4) -0.027(3) -0.036(3) 0.014(3)
C40 0.073(4) 0.072(4) 0.130(5) -0.020(3) -0.035(4) -0.004(3)
C41 0.067(3) 0.061(3) 0.114(5) -0.013(3) -0.030(3) 0.006(3)
C42 0.085(4) 0.069(4) 0.132(5) -0.032(3) -0.041(4) 0.012(3)
C43 0.082(4) 0.073(4) 0.106(5) -0.026(3) -0.032(3) 0.010(3)
C44 0.061(3) 0.063(3) 0.091(4) -0.024(3) -0.024(3) 0.008(2)
C45 0.065(3) 0.067(3) 0.102(4) -0.010(3) -0.026(3) -0.004(2)
C46 0.056(3) 0.067(3) 0.082(4) -0.018(3) -0.018(3) 0.002(2)
C47 0.059(3) 0.073(3) 0.090(4) -0.018(3) -0.017(3) -0.001(2)
C48 0.063(3) 0.068(3) 0.102(4) -0.031(3) -0.014(3) 0.015(3)
C49 0.41(2) 0.133(12) 0.305(16) -0.061(10) -0.280(17) 0.077(12)
C50 0.123(8) 0.210(11) 0.167(9) -0.010(9) -0.058(7) -0.016(9)
C51 0.136(9) 0.143(9) 0.276(14) -0.005(8) -0.042(9) 0.033(7)
C52 0.142(10) 0.166(10) 0.366(18) 0.028(10) -0.016(11) 0.011(8)
N5 0.192(9) 0.157(8) 0.316(12) -0.053(8) -0.063(8) 0.071(7)
C54 0.218(14) 0.166(11) 0.286(16) -0.076(11) -0.017(12) 0.023(10)
C55 0.262(15) 0.163(9) 0.223(12) -0.098(9) -0.078(11) 0.082(10)
C56 0.285(18) 0.153(11) 0.210(13) 0.026(9) -0.176(14) -0.049(9)
C57 0.087(5) 0.186(9) 0.119(6) -0.022(6) -0.029(5) 0.027(6)
C58 0.125(7) 0.097(6) 0.208(9) -0.013(6) -0.032(7) -0.001(5)
C59 0.111(7) 0.115(7) 0.334(15) -0.087(8) 0.009(8) -0.011(6)
N6 0.138(7) 0.112(6) 0.278(10) -0.037(7) -0.014(6) 0.006(5)
C61 0.112(8) 0.158(10) 0.270(13) 0.028(9) -0.005(8) -0.043(7)
C62 0.170(10) 0.089(6) 0.252(12) -0.004(7) -0.058(9) -0.010(6)

_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 2.015(3) 1_455 ?
Co1 O5 2.056(3) . ?
Co1 N2 2.146(3) 1_565 ?
Co1 O2 2.151(3) . ?
Co1 N1 2.160(3) . ?
Co1 O1 2.232(3) . ?
Co2 O6 2.012(3) . ?
Co2 O8 2.044(3) 1_455 ?
Co2 N4 2.140(4) 1_565 ?
Co2 N3 2.143(4) . ?
Co2 O4 2.146(3) 1_556 ?
Co2 O3 2.213(3) 1_556 ?
Co2 C24 2.502(4) 1_556 ?
O1 C13 1.256(5) . ?
O2 C13 1.268(5) . ?
O3 C24 1.234(5) . ?
O3 Co2 2.213(3) 1_554 ?
O4 C24 1.274(5) . ?
O4 Co2 2.146(3) 1_554 ?
O5 C25 1.276(4) . ?
O6 C25 1.246(5) . ?
O7 C36 1.247(5) . ?
O7 Co1 2.015(3) 1_655 ?
O8 C36 1.254(4) . ?
O8 Co2 2.044(3) 1_655 ?
N1 C1 1.327(5) . ?
N1 C5 1.328(5) . ?
N2 C11 1.337(5) . ?
N2 C10 1.344(5) . ?
N2 Co1 2.146(3) 1_545 ?
N3 C41 1.327(6) . ?
N3 C37 1.339(5) . ?
N4 C46 1.331(5) . ?
N4 C47 1.345(5) . ?
N4 Co2 2.140(3) 1_545 ?
C1 C2 1.367(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.395(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(6) . ?
C3 C6 1.474(6) . ?
C4 C5 1.363(6) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.323(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.468(6) . ?
C7 H7 0.9300 . ?
C8 C12 1.389(6) . ?
C8 C9 1.405(6) . ?
C9 C10 1.336(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.352(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.487(5) . ?
C14 C19 1.341(5) . ?
C14 C15 1.408(5) . ?
C15 C16 1.358(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.400(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.412(5) . ?
C17 C20 1.423(5) . ?
C18 C23 1.410(6) . ?
C18 C19 1.418(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.360(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.410(5) . ?
C21 C24 1.510(6) . ?
C22 C23 1.371(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 Co2 2.502(4) 1_554 ?
C25 C26 1.494(5) . ?
C26 C27 1.364(5) . ?
C26 C31 1.433(5) . ?
C27 C28 1.420(5) . ?
C27 H27 0.9300 . ?
C28 C35 1.411(5) . ?
C28 C29 1.413(5) . ?
C29 C32 1.421(5) . ?
C29 C30 1.432(5) . ?
C30 C31 1.365(5) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.367(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.409(5) . ?
C33 C36 1.505(5) . ?
C34 C35 1.360(5) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C37 C38 1.378(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.372(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.394(7) . ?
C39 C42 1.484(7) . ?
C40 C41 1.396(6) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C43 1.262(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.470(6) . ?
C43 H43 0.9300 . ?
C44 C48 1.362(6) . ?
C44 C45 1.403(6) . ?
C45 C46 1.383(6) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C48 1.396(6) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C49 1.21(2) 2 ?
C49 C50 1.62(2) . ?
C49 H49 0.9300 . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 C52 1.3900 . ?
C51 H51 0.9300 . ?
C52 N5 1.3900 . ?
C52 H52 0.9300 . ?
N5 C54 1.3900 . ?
C54 C55 1.3900 . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C56 1.131(15) 2_656 ?
C56 C57 1.631(14) . ?
C56 H56 0.9300 . ?
C57 C58 1.387(10) . ?
C57 C62 1.399(11) . ?
C58 C59 1.330(10) . ?
C58 H58 0.9300 . ?
C59 N6 1.267(10) . ?
C59 H59 0.9300 . ?
N6 C61 1.258(11) . ?
C61 C62 1.375(12) . ?
C61 H61 0.9300 . ?
C62 H62 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 O5 116.81(11) 1_455 . ?
O7 Co1 N2 90.82(13) 1_455 1_565 ?
O5 Co1 N2 91.35(11) . 1_565 ?
O7 Co1 O2 149.75(11) 1_455 . ?
O5 Co1 O2 93.14(11) . . ?
N2 Co1 O2 92.72(12) 1_565 . ?
O7 Co1 N1 89.74(13) 1_455 . ?
O5 Co1 N1 87.80(12) . . ?
N2 Co1 N1 179.13(13) 1_565 . ?
O2 Co1 N1 87.13(12) . . ?
O7 Co1 O1 89.87(11) 1_455 . ?
O5 Co1 O1 153.01(12) . . ?
N2 Co1 O1 92.29(11) 1_565 . ?
O2 Co1 O1 59.98(10) . . ?
N1 Co1 O1 88.37(12) . . ?
O6 Co2 O8 122.26(11) . 1_455 ?
O6 Co2 N4 88.06(13) . 1_565 ?
O8 Co2 N4 86.72(12) 1_455 1_565 ?
O6 Co2 N3 92.01(13) . . ?
O8 Co2 N3 90.68(13) 1_455 . ?
N4 Co2 N3 176.96(13) 1_565 . ?
O6 Co2 O4 147.00(11) . 1_556 ?
O8 Co2 O4 90.24(11) 1_455 1_556 ?
N4 Co2 O4 88.36(13) 1_565 1_556 ?
N3 Co2 O4 93.23(13) . 1_556 ?
O6 Co2 O3 87.21(12) . 1_556 ?
O8 Co2 O3 150.28(12) 1_455 1_556 ?
N4 Co2 O3 90.93(12) 1_565 1_556 ?
N3 Co2 O3 92.12(13) . 1_556 ?
O4 Co2 O3 60.06(11) 1_556 1_556 ?
O6 Co2 C24 116.44(14) . 1_556 ?
O8 Co2 C24 120.74(15) 1_455 1_556 ?
N4 Co2 C24 87.84(14) 1_565 1_556 ?
N3 Co2 C24 94.85(13) . 1_556 ?
O4 Co2 C24 30.62(13) 1_556 1_556 ?
O3 Co2 C24 29.54(12) 1_556 1_556 ?
C13 O1 Co1 88.0(2) . . ?
C13 O2 Co1 91.3(3) . . ?
C24 O3 Co2 88.3(3) . 1_554 ?
C24 O4 Co2 90.3(3) . 1_554 ?
C25 O5 Co1 120.4(3) . . ?
C25 O6 Co2 151.3(3) . . ?
C36 O7 Co1 173.6(3) . 1_655 ?
C36 O8 Co2 118.9(3) . 1_655 ?
C1 N1 C5 116.2(4) . . ?
C1 N1 Co1 120.8(3) . . ?
C5 N1 Co1 122.6(3) . . ?
C11 N2 C10 115.2(4) . . ?
C11 N2 Co1 123.5(3) . 1_545 ?
C10 N2 Co1 121.2(3) . 1_545 ?
C41 N3 C37 115.7(4) . . ?
C41 N3 Co2 121.8(3) . . ?
C37 N3 Co2 122.1(3) . . ?
C46 N4 C47 115.9(4) . . ?
C46 N4 Co2 123.5(3) . 1_545 ?
C47 N4 Co2 120.2(3) . 1_545 ?
N1 C1 C2 122.7(5) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 120.7(4) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 116.1(4) . . ?
C4 C3 C6 120.0(5) . . ?
C2 C3 C6 123.9(4) . . ?
C5 C4 C3 118.9(5) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
N1 C5 C4 125.2(5) . . ?
N1 C5 H5 117.4 . . ?
C4 C5 H5 117.4 . . ?
C7 C6 C3 126.3(5) . . ?
C7 C6 H6 116.9 . . ?
C3 C6 H6 116.9 . . ?
C6 C7 C8 126.4(5) . . ?
C6 C7 H7 116.8 . . ?
C8 C7 H7 116.8 . . ?
C12 C8 C9 115.3(4) . . ?
C12 C8 C7 119.7(4) . . ?
C9 C8 C7 125.0(4) . . ?
C10 C9 C8 120.7(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 N2 124.0(4) . . ?
C9 C10 H10 118.0 . . ?
N2 C10 H10 118.0 . . ?
N2 C11 C12 124.9(4) . . ?
N2 C11 H11 117.6 . . ?
C12 C11 H11 117.6 . . ?
C11 C12 C8 119.7(4) . . ?
C11 C12 H12 120.2 . . ?
C8 C12 H12 120.2 . . ?
O1 C13 O2 120.6(4) . . ?
O1 C13 C14 120.1(4) . . ?
O2 C13 C14 119.3(4) . . ?
C19 C14 C15 120.3(4) . . ?
C19 C14 C13 120.9(4) . . ?
C15 C14 C13 118.8(4) . . ?
C16 C15 C14 119.5(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 121.4(4) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C16 C17 C18 119.4(4) . . ?
C16 C17 C20 122.2(4) . . ?
C18 C17 C20 118.4(4) . . ?
C23 C18 C17 118.7(4) . . ?
C23 C18 C19 123.9(4) . . ?
C17 C18 C19 117.4(4) . . ?
C14 C19 C18 121.9(4) . . ?
C14 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
C21 C20 C17 121.7(4) . . ?
C21 C20 H20 119.2 . . ?
C17 C20 H20 119.2 . . ?
C20 C21 C22 119.9(4) . . ?
C20 C21 C24 121.7(4) . . ?
C22 C21 C24 118.4(4) . . ?
C23 C22 C21 119.6(4) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C18 121.7(4) . . ?
C22 C23 H23 119.1 . . ?
C18 C23 H23 119.1 . . ?
O3 C24 O4 120.9(4) . . ?
O3 C24 C21 121.3(4) . . ?
O4 C24 C21 117.8(4) . . ?
O3 C24 Co2 62.1(2) . 1_554 ?
O4 C24 Co2 59.1(2) . 1_554 ?
C21 C24 Co2 174.1(3) . 1_554 ?
O6 C25 O5 123.9(4) . . ?
O6 C25 C26 118.7(4) . . ?
O5 C25 C26 117.4(4) . . ?
C27 C26 C31 119.5(4) . . ?
C27 C26 C25 120.6(4) . . ?
C31 C26 C25 119.9(4) . . ?
C26 C27 C28 121.3(4) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C35 C28 C29 118.5(3) . . ?
C35 C28 C27 122.4(4) . . ?
C29 C28 C27 119.2(3) . . ?
C28 C29 C32 119.2(4) . . ?
C28 C29 C30 118.9(4) . . ?
C32 C29 C30 121.9(4) . . ?
C31 C30 C29 120.6(4) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C26 120.4(4) . . ?
C30 C31 H31 119.8 . . ?
C26 C31 H31 119.8 . . ?
C33 C32 C29 120.4(4) . . ?
C33 C32 H32 119.8 . . ?
C29 C32 H32 119.8 . . ?
C32 C33 C34 120.4(4) . . ?
C32 C33 C36 119.3(4) . . ?
C34 C33 C36 120.3(4) . . ?
C35 C34 C33 119.9(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C28 121.6(4) . . ?
C34 C35 H35 119.2 . . ?
C28 C35 H35 119.2 . . ?
O7 C36 O8 123.1(4) . . ?
O7 C36 C33 119.3(4) . . ?
O8 C36 C33 117.6(4) . . ?
N3 C37 C38 125.2(5) . . ?
N3 C37 H37 117.4 . . ?
C38 C37 H37 117.4 . . ?
C39 C38 C37 118.8(5) . . ?
C39 C38 H38 120.6 . . ?
C37 C38 H38 120.6 . . ?
C38 C39 C40 117.4(5) . . ?
C38 C39 C42 120.6(5) . . ?
C40 C39 C42 121.9(5) . . ?
C39 C40 C41 119.3(5) . . ?
C39 C40 H40 120.3 . . ?
C41 C40 H40 120.3 . . ?
N3 C41 C40 123.5(5) . . ?
N3 C41 H41 118.2 . . ?
C40 C41 H41 118.2 . . ?
C43 C42 C39 127.4(6) . . ?
C43 C42 H42 116.3 . . ?
C39 C42 H42 116.3 . . ?
C42 C43 C44 126.2(5) . . ?
C42 C43 H43 116.9 . . ?
C44 C43 H43 116.9 . . ?
C48 C44 C45 115.4(5) . . ?
C48 C44 C43 120.5(5) . . ?
C45 C44 C43 124.2(5) . . ?
C46 C45 C44 121.5(5) . . ?
C46 C45 H45 119.2 . . ?
C44 C45 H45 119.2 . . ?
N4 C46 C45 122.7(4) . . ?
N4 C46 H46 118.6 . . ?
C45 C46 H46 118.6 . . ?
N4 C47 C48 124.1(5) . . ?
N4 C47 H47 117.9 . . ?
C48 C47 H47 117.9 . . ?
C44 C48 C47 120.3(5) . . ?
C44 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C49 C49 C50 120(2) 2 . ?
C49 C49 H49 120.2 2 . ?
C50 C49 H49 120.2 . . ?
C51 C50 C55 120.0 . . ?
C51 C50 C49 127.5(8) . . ?
C55 C50 C49 112.5(8) . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
N5 C52 C51 120.0 . . ?
N5 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 N5 C54 120.0 . . ?
C55 C54 N5 120.0 . . ?
C55 C54 H54 120.0 . . ?
N5 C54 H54 120.0 . . ?
C54 C55 C50 120.0 . . ?
C54 C55 H55 120.0 . . ?
C50 C55 H55 120.0 . . ?
C56 C56 C57 122.2(19) 2_656 . ?
C56 C56 H56 118.9 2_656 . ?
C57 C56 H56 118.9 . . ?
C58 C57 C62 115.7(8) . . ?
C58 C57 C56 130.8(10) . . ?
C62 C57 C56 113.4(10) . . ?
C59 C58 C57 119.8(8) . . ?
C59 C58 H58 120.1 . . ?
C57 C58 H58 120.1 . . ?
N6 C59 C58 124.7(9) . . ?
N6 C59 H59 117.7 . . ?
C58 C59 H59 117.7 . . ?
C61 N6 C59 117.3(9) . . ?
N6 C61 C62 126.5(10) . . ?
N6 C61 H61 116.7 . . ?
C62 C61 H61 116.7 . . ?
C61 C62 C57 115.8(9) . . ?
C61 C62 H62 122.1 . . ?
C57 C62 H62 122.1 . . ?

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
O7 Co1 O1 C13 -175.4(3) 1_455 . . . ?
O5 Co1 O1 C13 -3.7(4) . . . . ?
N2 Co1 O1 C13 93.8(3) 1_565 . . . ?
O2 Co1 O1 C13 2.0(2) . . . . ?
N1 Co1 O1 C13 -85.6(3) . . . . ?
O7 Co1 O2 C13 3.3(4) 1_455 . . . ?
O5 Co1 O2 C13 175.4(2) . . . . ?
N2 Co1 O2 C13 -93.0(2) 1_565 . . . ?
N1 Co1 O2 C13 87.8(3) . . . . ?
O1 Co1 O2 C13 -2.0(2) . . . . ?
O7 Co1 O5 C25 -26.9(3) 1_455 . . . ?
N2 Co1 O5 C25 64.7(3) 1_565 . . . ?
O2 Co1 O5 C25 157.5(3) . . . . ?
N1 Co1 O5 C25 -115.4(3) . . . . ?
O1 Co1 O5 C25 162.5(3) . . . . ?
O8 Co2 O6 C25 -87.2(6) 1_455 . . . ?
N4 Co2 O6 C25 -172.1(6) 1_565 . . . ?
N3 Co2 O6 C25 4.9(6) . . . . ?
O4 Co2 O6 C25 103.9(6) 1_556 . . . ?
O3 Co2 O6 C25 96.9(5) 1_556 . . . ?
C24 Co2 O6 C25 101.3(5) 1_556 . . . ?
O7 Co1 N1 C1 -147.2(3) 1_455 . . . ?
O5 Co1 N1 C1 -30.4(3) . . . . ?
N2 Co1 N1 C1 -17(9) 1_565 . . . ?
O2 Co1 N1 C1 62.9(3) . . . . ?
O1 Co1 N1 C1 122.9(3) . . . . ?
O7 Co1 N1 C5 39.8(4) 1_455 . . . ?
O5 Co1 N1 C5 156.6(4) . . . . ?
N2 Co1 N1 C5 170(51) 1_565 . . . ?
O2 Co1 N1 C5 -110.1(4) . . . . ?
O1 Co1 N1 C5 -50.1(4) . . . . ?
O6 Co2 N3 C41 -140.6(4) . . . . ?
O8 Co2 N3 C41 -18.3(4) 1_455 . . . ?
N4 Co2 N3 C41 -49(3) 1_565 . . . ?
O4 Co2 N3 C41 72.0(4) 1_556 . . . ?
O3 Co2 N3 C41 132.1(4) 1_556 . . . ?
C24 Co2 N3 C41 102.6(4) 1_556 . . . ?
O6 Co2 N3 C37 31.8(3) . . . . ?
O8 Co2 N3 C37 154.1(3) 1_455 . . . ?
N4 Co2 N3 C37 123(3) 1_565 . . . ?
O4 Co2 N3 C37 -115.6(3) 1_556 . . . ?
O3 Co2 N3 C37 -55.5(3) 1_556 . . . ?
C24 Co2 N3 C37 -85.0(4) 1_556 . . . ?
C5 N1 C1 C2 2.5(7) . . . . ?
Co1 N1 C1 C2 -170.9(4) . . . . ?
N1 C1 C2 C3 0.0(8) . . . . ?
C1 C2 C3 C4 -3.2(7) . . . . ?
C1 C2 C3 C6 177.9(5) . . . . ?
C2 C3 C4 C5 3.8(7) . . . . ?
C6 C3 C4 C5 -177.3(5) . . . . ?
C1 N1 C5 C4 -1.8(7) . . . . ?
Co1 N1 C5 C4 171.5(4) . . . . ?
C3 C4 C5 N1 -1.4(8) . . . . ?
C4 C3 C6 C7 171.2(5) . . . . ?
C2 C3 C6 C7 -10.0(8) . . . . ?
C3 C6 C7 C8 178.7(4) . . . . ?
C6 C7 C8 C12 -162.0(5) . . . . ?
C6 C7 C8 C9 18.2(8) . . . . ?
C12 C8 C9 C10 4.6(7) . . . . ?
C7 C8 C9 C10 -175.6(5) . . . . ?
C8 C9 C10 N2 -1.4(8) . . . . ?
C11 N2 C10 C9 -2.0(7) . . . . ?
Co1 N2 C10 C9 174.7(4) 1_545 . . . ?
C10 N2 C11 C12 2.1(6) . . . . ?
Co1 N2 C11 C12 -174.5(3) 1_545 . . . ?
N2 C11 C12 C8 1.2(7) . . . . ?
C9 C8 C12 C11 -4.4(7) . . . . ?
C7 C8 C12 C11 175.8(4) . . . . ?
Co1 O1 C13 O2 -3.4(4) . . . . ?
Co1 O1 C13 C14 174.0(4) . . . . ?
Co1 O2 C13 O1 3.5(4) . . . . ?
Co1 O2 C13 C14 -173.9(3) . . . . ?
O1 C13 C14 C19 176.5(4) . . . . ?
O2 C13 C14 C19 -6.1(6) . . . . ?
O1 C13 C14 C15 -2.9(6) . . . . ?
O2 C13 C14 C15 174.5(4) . . . . ?
C19 C14 C15 C16 0.8(7) . . . . ?
C13 C14 C15 C16 -179.8(4) . . . . ?
C14 C15 C16 C17 0.6(8) . . . . ?
C15 C16 C17 C18 -2.6(7) . . . . ?
C15 C16 C17 C20 179.5(5) . . . . ?
C16 C17 C18 C23 -177.0(5) . . . . ?
C20 C17 C18 C23 1.0(7) . . . . ?
C16 C17 C18 C19 3.0(7) . . . . ?
C20 C17 C18 C19 -179.0(4) . . . . ?
C15 C14 C19 C18 -0.2(7) . . . . ?
C13 C14 C19 C18 -179.6(4) . . . . ?
C23 C18 C19 C14 178.3(5) . . . . ?
C17 C18 C19 C14 -1.7(7) . . . . ?
C16 C17 C20 C21 178.4(4) . . . . ?
C18 C17 C20 C21 0.4(7) . . . . ?
C17 C20 C21 C22 -1.0(7) . . . . ?
C17 C20 C21 C24 -179.5(4) . . . . ?
C20 C21 C22 C23 -0.1(8) . . . . ?
C24 C21 C22 C23 178.5(5) . . . . ?
C21 C22 C23 C18 1.6(8) . . . . ?
C17 C18 C23 C22 -2.1(8) . . . . ?
C19 C18 C23 C22 177.9(5) . . . . ?
Co2 O3 C24 O4 6.1(4) 1_554 . . . ?
Co2 O3 C24 C21 -174.5(4) 1_554 . . . ?
Co2 O4 C24 O3 -6.3(5) 1_554 . . . ?
Co2 O4 C24 C21 174.3(4) 1_554 . . . ?
C20 C21 C24 O3 177.9(4) . . . . ?
C22 C21 C24 O3 -0.7(7) . . . . ?
C20 C21 C24 O4 -2.7(7) . . . . ?
C22 C21 C24 O4 178.7(4) . . . . ?
C20 C21 C24 Co2 53(4) . . . 1_554 ?
C22 C21 C24 Co2 -125(3) . . . 1_554 ?
Co2 O6 C25 O5 76.4(7) . . . . ?
Co2 O6 C25 C26 -105.5(6) . . . . ?
Co1 O5 C25 O6 4.4(6) . . . . ?
Co1 O5 C25 C26 -173.7(2) . . . . ?
O6 C25 C26 C27 14.7(6) . . . . ?
O5 C25 C26 C27 -167.1(4) . . . . ?
O6 C25 C26 C31 -165.9(4) . . . . ?
O5 C25 C26 C31 12.3(6) . . . . ?
C31 C26 C27 C28 1.5(6) . . . . ?
C25 C26 C27 C28 -179.2(4) . . . . ?
C26 C27 C28 C35 -179.8(4) . . . . ?
C26 C27 C28 C29 0.6(6) . . . . ?
C35 C28 C29 C32 -1.6(6) . . . . ?
C27 C28 C29 C32 178.0(4) . . . . ?
C35 C28 C29 C30 179.4(4) . . . . ?
C27 C28 C29 C30 -1.0(6) . . . . ?
C28 C29 C30 C31 -0.8(6) . . . . ?
C32 C29 C30 C31 -179.7(4) . . . . ?
C29 C30 C31 C26 2.9(7) . . . . ?
C27 C26 C31 C30 -3.3(7) . . . . ?
C25 C26 C31 C30 177.4(4) . . . . ?
C28 C29 C32 C33 1.4(6) . . . . ?
C30 C29 C32 C33 -179.6(4) . . . . ?
C29 C32 C33 C34 -0.1(6) . . . . ?
C29 C32 C33 C36 179.7(4) . . . . ?
C32 C33 C34 C35 -1.2(7) . . . . ?
C36 C33 C34 C35 179.0(4) . . . . ?
C33 C34 C35 C28 1.0(7) . . . . ?
C29 C28 C35 C34 0.4(6) . . . . ?
C27 C28 C35 C34 -179.2(4) . . . . ?
Co1 O7 C36 O8 -60(3) 1_655 . . . ?
Co1 O7 C36 C33 121(2) 1_655 . . . ?
Co2 O8 C36 O7 2.1(5) 1_655 . . . ?
Co2 O8 C36 C33 -178.4(3) 1_655 . . . ?
C32 C33 C36 O7 -0.5(6) . . . . ?
C34 C33 C36 O7 179.3(4) . . . . ?
C32 C33 C36 O8 180.0(4) . . . . ?
C34 C33 C36 O8 -0.2(6) . . . . ?
C41 N3 C37 C38 2.7(7) . . . . ?
Co2 N3 C37 C38 -170.1(4) . . . . ?
N3 C37 C38 C39 -1.5(8) . . . . ?
C37 C38 C39 C40 -0.5(8) . . . . ?
C37 C38 C39 C42 179.8(5) . . . . ?
C38 C39 C40 C41 1.2(8) . . . . ?
C42 C39 C40 C41 -179.1(5) . . . . ?
C37 N3 C41 C40 -1.9(7) . . . . ?
Co2 N3 C41 C40 170.9(4) . . . . ?
C39 C40 C41 N3 0.1(8) . . . . ?
C38 C39 C42 C43 177.4(6) . . . . ?
C40 C39 C42 C43 -2.3(9) . . . . ?
C39 C42 C43 C44 -179.6(5) . . . . ?
C42 C43 C44 C48 165.8(6) . . . . ?
C42 C43 C44 C45 -14.8(9) . . . . ?
C48 C44 C45 C46 -2.1(7) . . . . ?
C43 C44 C45 C46 178.5(4) . . . . ?
C47 N4 C46 C45 3.4(7) . . . . ?
Co2 N4 C46 C45 -169.5(3) 1_545 . . . ?
C44 C45 C46 N4 -0.7(8) . . . . ?
C46 N4 C47 C48 -3.6(7) . . . . ?
Co2 N4 C47 C48 169.5(4) 1_545 . . . ?
C45 C44 C48 C47 1.9(7) . . . . ?
C43 C44 C48 C47 -178.7(4) . . . . ?
N4 C47 C48 C44 1.0(8) . . . . ?
C49 C49 C50 C51 0.3(19) 2 . . . ?
C49 C49 C50 C55 178.7(14) 2 . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C49 C50 C51 C52 178.3(8) . . . . ?
C50 C51 C52 N5 0.0 . . . . ?
C51 C52 N5 C54 0.0 . . . . ?
C52 N5 C54 C55 0.0 . . . . ?
N5 C54 C55 C50 0.0 . . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C49 C50 C55 C54 -178.6(7) . . . . ?
C56 C56 C57 C58 2(2) 2_656 . . . ?
C56 C56 C57 C62 178.5(15) 2_656 . . . ?
C62 C57 C58 C59 0.8(14) . . . . ?
C56 C57 C58 C59 177.6(10) . . . . ?
C57 C58 C59 N6 -1.9(19) . . . . ?
C58 C59 N6 C61 4(2) . . . . ?
C59 N6 C61 C62 -5(2) . . . . ?
N6 C61 C62 C57 4(2) . . . . ?
C58 C57 C62 C61 -1.6(14) . . . . ?
C56 C57 C62 C61 -179.0(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.951
_diffrn_reflns_theta_full        26.05
_diffrn_measured_fraction_theta_full 0.951
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.051