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


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Dong-Sheng Li'
_publ_contact_author_email       lidongsheng1@126.com

_publ_section_title              
;
Auxiliary ligand-directed structural
variation from 2D-3D polythreaded net to 3-fold interpenetrating
3D pillar-layered framework: syntheses,
crystal structures and magnetic properties
;
_publ_author_name                'Dong-Sheng Li'

# Attachment '- cif-1.cif'

data_091125am
_database_code_depnum_ccdc_archive 'CCDC 841638'
#TrackingRef '- cif-1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H14 Co N3 O9'
_chemical_formula_weight         511.28

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   C2/c

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

_cell_length_a                   23.493(4)
_cell_length_b                   13.745(2)
_cell_length_c                   14.021(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.996(3)
_cell_angle_gamma                90.00
_cell_volume                     4069.7(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2080
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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            15246
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.67
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3572
_reflns_number_gt                2715
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_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^)+(0.0407P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3572
_refine_ls_number_parameters     313
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1135
_refine_ls_wR_factor_gt          0.1069
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_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
C10 C 0.55173(16) 0.5959(3) 0.4355(3) 0.0266(9) Uani 1 1 d . . .
H10 H 0.5844 0.6392 0.4727 0.032 Uiso 1 1 calc R . .
C9 C 0.49154(17) 0.6305(3) 0.3660(3) 0.0284(9) Uani 1 1 d . . .
O3 O 0.57077(13) 1.2153(2) 0.4547(2) 0.0659(10) Uani 1 1 d . . .
H3 H 0.6006 1.2524 0.4860 0.099 Uiso 1 1 calc R . .
O4 O 0.64494(12) 1.10324(19) 0.5277(2) 0.0449(8) Uani 1 1 d . . .
C6 C 0.44047(17) 0.9250(3) 0.3152(3) 0.0281(9) Uani 1 1 d . . .
H6 H 0.4077 0.8808 0.2817 0.034 Uiso 1 1 calc R . .
Co1 Co 0.24119(2) 1.08285(4) 0.12937(4) 0.02940(19) Uani 1 1 d . . .
C2 C 0.47753(16) 1.0883(3) 0.3533(3) 0.0267(8) Uani 1 1 d . . .
H2 H 0.4697 1.1548 0.3443 0.032 Uiso 1 1 calc R . .
O1 O 0.31865(11) 0.99791(17) 0.19770(19) 0.0347(6) Uani 1 1 d . . .
C1 C 0.42861(16) 1.0235(3) 0.3020(3) 0.0253(8) Uani 1 1 d . . .
C13 C 0.45376(16) 0.4670(3) 0.3232(3) 0.0250(8) Uani 1 1 d . . .
O6 O 0.63795(11) 0.36987(18) 0.53433(19) 0.0324(6) Uani 1 1 d . . .
N3 N 0.23963(14) 1.1437(2) 0.2625(2) 0.0312(8) Uani 1 1 d . . .
O5 O 0.67112(11) 0.51962(17) 0.56718(19) 0.0351(6) Uani 1 1 d . . .
C7 C 0.36322(17) 1.0606(3) 0.2340(3) 0.0287(9) Uani 1 1 d . . .
C4 C 0.54996(17) 0.9570(3) 0.4300(3) 0.0281(9) Uani 1 1 d . . .
H4 H 0.5906 0.9344 0.4727 0.034 Uiso 1 1 calc R . .
O2 O 0.35195(12) 1.14866(18) 0.21348(19) 0.0382(7) Uani 1 1 d . . .
O9 O 0.24628(13) 1.1287(2) -0.0022(2) 0.0465(8) Uani 1 1 d D . .
O7 O 0.41732(14) 0.3083(2) 0.2916(3) 0.0776(12) Uani 1 1 d . . .
H7 H 0.3877 0.2724 0.2561 0.116 Uiso 1 1 calc R . .
C15 C 0.62662(17) 0.4595(3) 0.5203(3) 0.0263(8) Uani 1 1 d . . .
C3 C 0.53831(16) 1.0556(3) 0.4180(3) 0.0255(8) Uani 1 1 d . . .
C11 C 0.56198(15) 0.4969(3) 0.4479(3) 0.0239(8) Uani 1 1 d . . .
C12 C 0.51324(16) 0.4333(2) 0.3934(3) 0.0257(8) Uani 1 1 d . . .
H12 H 0.5202 0.3667 0.4038 0.031 Uiso 1 1 calc R . .
C14 C 0.44327(17) 0.5656(3) 0.3100(3) 0.0279(9) Uani 1 1 d . . .
H14 H 0.4036 0.5889 0.2632 0.034 Uiso 1 1 calc R . .
C16 C 0.40207(18) 0.3976(3) 0.2619(3) 0.0314(9) Uani 1 1 d . . .
N1 N 0.51856(15) 0.7905(2) 0.3970(2) 0.0367(8) Uani 1 1 d . . .
C5 C 0.50133(17) 0.8914(3) 0.3786(3) 0.0291(9) Uani 1 1 d . . .
C17 C 0.2583(2) 1.0944(3) 0.3512(3) 0.0501(12) Uani 1 1 d . . .
H17 H 0.2694 1.0296 0.3506 0.060 Uiso 1 1 calc R . .
C19 C 0.24763(17) 1.2270(3) 0.4500(3) 0.0326(9) Uani 1 1 d . . .
N2 N 0.47524(15) 0.7316(2) 0.3477(2) 0.0342(8) Uani 1 1 d . . .
C8 C 0.59069(18) 1.1259(3) 0.4728(3) 0.0310(9) Uani 1 1 d . . .
C18 C 0.2627(2) 1.1319(3) 0.4442(3) 0.0529(13) Uani 1 1 d . . .
H18 H 0.2759 1.0925 0.5040 0.064 Uiso 1 1 calc R . .
C20 C 0.2286(3) 1.2792(3) 0.3577(3) 0.0711(17) Uani 1 1 d . . .
H20 H 0.2189 1.3449 0.3570 0.085 Uiso 1 1 calc R . .
C21 C 0.2237(3) 1.2355(3) 0.2669(3) 0.0693(17) Uani 1 1 d . . .
H21 H 0.2085 1.2721 0.2049 0.083 Uiso 1 1 calc R . .
O8 O 0.35178(12) 0.4216(2) 0.1922(2) 0.0488(8) Uani 1 1 d . . .
H9B H 0.2813(9) 1.138(3) -0.010(3) 0.073 Uiso 1 1 d D . .
H9A H 0.2140(10) 1.127(3) -0.0664(15) 0.073 Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C10 0.023(2) 0.026(2) 0.025(2) -0.0037(16) 0.0048(17) -0.0038(17)
C9 0.030(2) 0.025(2) 0.028(2) 0.0005(16) 0.0109(18) 0.0009(17)
O3 0.0244(16) 0.0313(18) 0.103(3) -0.0091(17) -0.0085(17) -0.0053(14)
O4 0.0166(15) 0.0466(19) 0.0552(19) 0.0073(14) 0.0006(14) -0.0001(13)
C6 0.025(2) 0.026(2) 0.026(2) -0.0061(16) 0.0043(17) -0.0063(17)
Co1 0.0197(3) 0.0270(3) 0.0297(3) -0.0039(2) -0.0001(2) 0.0014(2)
C2 0.024(2) 0.0199(19) 0.029(2) 0.0009(16) 0.0053(17) 0.0030(17)
O1 0.0188(14) 0.0254(14) 0.0432(16) -0.0037(12) -0.0017(12) -0.0021(12)
C1 0.022(2) 0.028(2) 0.021(2) 0.0000(16) 0.0044(17) 0.0011(16)
C13 0.020(2) 0.026(2) 0.0211(19) 0.0004(16) 0.0019(16) -0.0005(16)
O6 0.0176(14) 0.0267(15) 0.0384(16) 0.0036(12) -0.0010(12) -0.0021(11)
N3 0.0291(19) 0.0258(18) 0.0283(18) -0.0017(14) 0.0030(15) 0.0015(14)
O5 0.0194(14) 0.0272(15) 0.0421(16) -0.0020(12) -0.0018(12) -0.0020(12)
C7 0.024(2) 0.029(2) 0.027(2) -0.0037(17) 0.0053(17) -0.0022(17)
C4 0.021(2) 0.032(2) 0.028(2) 0.0021(16) 0.0073(17) 0.0063(17)
O2 0.0261(15) 0.0239(15) 0.0419(17) 0.0040(12) -0.0059(13) 0.0010(12)
O9 0.0214(15) 0.074(2) 0.0327(16) 0.0036(15) 0.0011(13) -0.0079(16)
O7 0.038(2) 0.0314(19) 0.104(3) 0.0006(17) -0.0239(18) -0.0093(15)
C15 0.022(2) 0.027(2) 0.025(2) -0.0012(16) 0.0055(17) -0.0006(17)
C3 0.021(2) 0.028(2) 0.023(2) -0.0005(16) 0.0064(17) -0.0007(17)
C11 0.0188(19) 0.027(2) 0.0230(19) 0.0001(16) 0.0070(16) 0.0004(16)
C12 0.027(2) 0.0179(19) 0.026(2) -0.0001(15) 0.0066(17) -0.0008(16)
C14 0.018(2) 0.036(2) 0.023(2) 0.0048(16) 0.0024(16) 0.0066(17)
C16 0.025(2) 0.028(2) 0.033(2) -0.0017(17) 0.0053(19) -0.0020(18)
N1 0.032(2) 0.0259(18) 0.039(2) 0.0011(15) 0.0036(16) 0.0059(16)
C5 0.030(2) 0.024(2) 0.031(2) -0.0010(16) 0.0106(18) 0.0009(17)
C17 0.085(4) 0.021(2) 0.051(3) 0.002(2) 0.036(3) 0.009(2)
C19 0.030(2) 0.027(2) 0.029(2) -0.0022(17) 0.0020(18) 0.0036(18)
N2 0.0294(19) 0.0229(18) 0.046(2) 0.0030(15) 0.0120(16) 0.0048(15)
C8 0.025(2) 0.027(2) 0.036(2) -0.0012(17) 0.0091(19) -0.0042(18)
C18 0.097(4) 0.024(2) 0.048(3) 0.010(2) 0.041(3) 0.011(2)
C20 0.129(5) 0.029(3) 0.035(3) 0.002(2) 0.018(3) 0.034(3)
C21 0.120(5) 0.038(3) 0.031(3) 0.009(2) 0.015(3) 0.030(3)
O8 0.0250(16) 0.0516(19) 0.0422(17) -0.0010(14) -0.0108(14) -0.0038(14)

_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
C10 C11 1.380(5) . ?
C10 C9 1.402(5) . ?
C10 H10 0.9300 . ?
C9 C14 1.384(5) . ?
C9 N2 1.435(4) . ?
O3 C8 1.301(4) . ?
O3 H3 0.8200 . ?
O4 C8 1.206(4) . ?
C6 C1 1.378(5) . ?
C6 C5 1.390(5) . ?
C6 H6 0.9300 . ?
Co1 O9 2.003(3) . ?
Co1 O1 2.016(2) . ?
Co1 O5 2.048(2) 8_465 ?
Co1 N3 2.061(3) . ?
Co1 O6 2.291(2) 8_465 ?
Co1 C15 2.513(4) 8_465 ?
C2 C1 1.381(5) . ?
C2 C3 1.389(5) . ?
C2 H2 0.9300 . ?
O1 C7 1.277(4) . ?
C1 C7 1.499(5) . ?
C13 C14 1.376(5) . ?
C13 C12 1.390(5) . ?
C13 C16 1.486(5) . ?
O6 C15 1.257(4) . ?
O6 Co1 2.291(2) 8_566 ?
N3 C17 1.311(5) . ?
N3 C21 1.325(5) . ?
O5 C15 1.267(4) . ?
O5 Co1 2.048(2) 8_566 ?
C7 O2 1.246(4) . ?
C4 C3 1.379(5) . ?
C4 C5 1.384(5) . ?
C4 H4 0.9300 . ?
O9 H9B 0.886(10) . ?
O9 H9A 0.887(10) . ?
O7 C16 1.295(4) . ?
O7 H7 0.8200 . ?
C15 C11 1.500(5) . ?
C15 Co1 2.513(4) 8_566 ?
C3 C8 1.486(5) . ?
C11 C12 1.376(4) . ?
C12 H12 0.9300 . ?
C14 H14 0.9300 . ?
C16 O8 1.203(4) . ?
N1 N2 1.246(4) . ?
N1 C5 1.435(4) . ?
C17 C18 1.364(5) . ?
C17 H17 0.9300 . ?
C19 C18 1.366(5) . ?
C19 C20 1.371(5) . ?
C19 C19 1.497(7) 7_576 ?
C18 H18 0.9300 . ?
C20 C21 1.367(5) . ?
C20 H20 0.9300 . ?
C21 H21 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
C11 C10 C9 119.3(3) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C14 C9 C10 120.1(3) . . ?
C14 C9 N2 115.7(3) . . ?
C10 C9 N2 124.1(3) . . ?
C8 O3 H3 109.5 . . ?
C1 C6 C5 120.2(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
O9 Co1 O1 102.37(11) . . ?
O9 Co1 O5 100.71(11) . 8_465 ?
O1 Co1 O5 101.17(10) . 8_465 ?
O9 Co1 N3 137.62(13) . . ?
O1 Co1 N3 100.10(11) . . ?
O5 Co1 N3 109.56(11) 8_465 . ?
O9 Co1 O6 81.39(10) . 8_465 ?
O1 Co1 O6 161.05(9) . 8_465 ?
O5 Co1 O6 59.94(9) 8_465 8_465 ?
N3 Co1 O6 88.69(10) . 8_465 ?
O9 Co1 C15 89.60(11) . 8_465 ?
O1 Co1 C15 131.16(11) . 8_465 ?
O5 Co1 C15 30.13(10) 8_465 8_465 ?
N3 Co1 C15 101.87(12) . 8_465 ?
O6 Co1 C15 29.89(10) 8_465 8_465 ?
C1 C2 C3 120.9(3) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C7 O1 Co1 102.2(2) . . ?
C6 C1 C2 119.4(3) . . ?
C6 C1 C7 120.7(3) . . ?
C2 C1 C7 119.9(3) . . ?
C14 C13 C12 119.3(3) . . ?
C14 C13 C16 120.1(3) . . ?
C12 C13 C16 120.6(3) . . ?
C15 O6 Co1 84.9(2) . 8_566 ?
C17 N3 C21 115.6(3) . . ?
C17 N3 Co1 121.2(3) . . ?
C21 N3 Co1 123.1(3) . . ?
C15 O5 Co1 95.7(2) . 8_566 ?
O2 C7 O1 120.6(3) . . ?
O2 C7 C1 122.2(3) . . ?
O1 C7 C1 117.2(3) . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
Co1 O9 H9B 126(2) . . ?
Co1 O9 H9A 124(2) . . ?
H9B O9 H9A 107.6(16) . . ?
C16 O7 H7 109.5 . . ?
O6 C15 O5 119.2(3) . . ?
O6 C15 C11 121.6(3) . . ?
O5 C15 C11 119.2(3) . . ?
O6 C15 Co1 65.24(18) . 8_566 ?
O5 C15 Co1 54.22(17) . 8_566 ?
C11 C15 Co1 171.1(3) . 8_566 ?
C4 C3 C2 119.3(3) . . ?
C4 C3 C8 120.1(3) . . ?
C2 C3 C8 120.6(3) . . ?
C10 C11 C12 120.0(3) . . ?
C10 C11 C15 119.5(3) . . ?
C12 C11 C15 120.5(3) . . ?
C11 C12 C13 121.0(3) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C13 C14 C9 120.3(3) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 119.9 . . ?
O8 C16 O7 123.7(4) . . ?
O8 C16 C13 123.8(3) . . ?
O7 C16 C13 112.4(3) . . ?
N2 N1 C5 115.5(3) . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 N1 115.6(3) . . ?
C6 C5 N1 124.5(3) . . ?
N3 C17 C18 124.4(4) . . ?
N3 C17 H17 117.8 . . ?
C18 C17 H17 117.8 . . ?
C18 C19 C20 115.5(4) . . ?
C18 C19 C19 123.0(4) . 7_576 ?
C20 C19 C19 121.5(4) . 7_576 ?
N1 N2 C9 116.2(3) . . ?
O4 C8 O3 123.9(4) . . ?
O4 C8 C3 124.5(3) . . ?
O3 C8 C3 111.6(3) . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C21 C20 C19 120.5(4) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
N3 C21 C20 123.5(4) . . ?
N3 C21 H21 118.2 . . ?
C20 C21 H21 118.2 . . ?

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
C11 C10 C9 C14 -0.7(5) . . . . ?
C11 C10 C9 N2 179.3(3) . . . . ?
O9 Co1 O1 C7 74.2(2) . . . . ?
O5 Co1 O1 C7 177.9(2) 8_465 . . . ?
N3 Co1 O1 C7 -69.7(2) . . . . ?
O6 Co1 O1 C7 173.8(3) 8_465 . . . ?
C15 Co1 O1 C7 174.7(2) 8_465 . . . ?
C5 C6 C1 C2 -0.8(5) . . . . ?
C5 C6 C1 C7 180.0(3) . . . . ?
C3 C2 C1 C6 -0.2(5) . . . . ?
C3 C2 C1 C7 179.0(3) . . . . ?
O9 Co1 N3 C17 -155.2(3) . . . . ?
O1 Co1 N3 C17 -34.0(3) . . . . ?
O5 Co1 N3 C17 71.8(3) 8_465 . . . ?
O6 Co1 N3 C17 129.1(3) 8_465 . . . ?
C15 Co1 N3 C17 102.1(3) 8_465 . . . ?
O9 Co1 N3 C21 20.6(4) . . . . ?
O1 Co1 N3 C21 141.8(4) . . . . ?
O5 Co1 N3 C21 -112.4(4) 8_465 . . . ?
O6 Co1 N3 C21 -55.1(4) 8_465 . . . ?
C15 Co1 N3 C21 -82.1(4) 8_465 . . . ?
Co1 O1 C7 O2 -6.3(4) . . . . ?
Co1 O1 C7 C1 173.2(2) . . . . ?
C6 C1 C7 O2 -174.0(3) . . . . ?
C2 C1 C7 O2 6.8(5) . . . . ?
C6 C1 C7 O1 6.5(5) . . . . ?
C2 C1 C7 O1 -172.8(3) . . . . ?
Co1 O6 C15 O5 -5.3(3) 8_566 . . . ?
Co1 O6 C15 C11 173.5(3) 8_566 . . . ?
Co1 O5 C15 O6 6.0(4) 8_566 . . . ?
Co1 O5 C15 C11 -172.9(3) 8_566 . . . ?
C5 C4 C3 C2 -0.5(5) . . . . ?
C5 C4 C3 C8 -179.7(3) . . . . ?
C1 C2 C3 C4 0.9(5) . . . . ?
C1 C2 C3 C8 180.0(3) . . . . ?
C9 C10 C11 C12 -0.7(5) . . . . ?
C9 C10 C11 C15 178.7(3) . . . . ?
O6 C15 C11 C10 179.7(3) . . . . ?
O5 C15 C11 C10 -1.5(5) . . . . ?
Co1 C15 C11 C10 -41.7(18) 8_566 . . . ?
O6 C15 C11 C12 -0.9(5) . . . . ?
O5 C15 C11 C12 178.0(3) . . . . ?
Co1 C15 C11 C12 137.7(15) 8_566 . . . ?
C10 C11 C12 C13 1.8(5) . . . . ?
C15 C11 C12 C13 -177.6(3) . . . . ?
C14 C13 C12 C11 -1.5(5) . . . . ?
C16 C13 C12 C11 177.9(3) . . . . ?
C12 C13 C14 C9 0.1(5) . . . . ?
C16 C13 C14 C9 -179.3(3) . . . . ?
C10 C9 C14 C13 1.0(5) . . . . ?
N2 C9 C14 C13 -179.0(3) . . . . ?
C14 C13 C16 O8 7.3(6) . . . . ?
C12 C13 C16 O8 -172.1(4) . . . . ?
C14 C13 C16 O7 -173.0(4) . . . . ?
C12 C13 C16 O7 7.6(5) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C3 C4 C5 N1 -179.7(3) . . . . ?
C1 C6 C5 C4 1.1(5) . . . . ?
C1 C6 C5 N1 -179.8(3) . . . . ?
N2 N1 C5 C4 -177.6(3) . . . . ?
N2 N1 C5 C6 3.3(5) . . . . ?
C21 N3 C17 C18 -0.7(7) . . . . ?
Co1 N3 C17 C18 175.4(4) . . . . ?
C5 N1 N2 C9 -179.4(3) . . . . ?
C14 C9 N2 N1 -179.3(3) . . . . ?
C10 C9 N2 N1 0.8(5) . . . . ?
C4 C3 C8 O4 1.4(6) . . . . ?
C2 C3 C8 O4 -177.7(4) . . . . ?
C4 C3 C8 O3 -178.4(3) . . . . ?
C2 C3 C8 O3 2.5(5) . . . . ?
C20 C19 C18 C17 0.1(7) . . . . ?
C19 C19 C18 C17 -179.0(5) 7_576 . . . ?
N3 C17 C18 C19 -0.7(7) . . . . ?
C18 C19 C20 C21 1.9(8) . . . . ?
C19 C19 C20 C21 -179.1(5) 7_576 . . . ?
C17 N3 C21 C20 2.7(7) . . . . ?
Co1 N3 C21 C20 -173.3(4) . . . . ?
C19 C20 C21 N3 -3.5(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.069

# Attachment '- cif-2.cif'

data_090914em
_database_code_depnum_ccdc_archive 'CCDC 841639'
#TrackingRef '- cif-2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H48 Co3 N12 O30'
_chemical_formula_weight         1545.85

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.9824(10)
_cell_length_b                   12.3083(11)
_cell_length_c                   13.3287(12)
_cell_angle_alpha                111.0698(15)
_cell_angle_beta                 103.8861(16)
_cell_angle_gamma                105.9504(15)
_cell_volume                     1496.8(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2793
_cell_measurement_theta_min      1.93
_cell_measurement_theta_max      25.01

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             789
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_process_details   'SADABS, Sheldrick,1997'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9559
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.93
_diffrn_reflns_theta_max         25.01
_reflns_number_total             5212
_reflns_number_gt                4251
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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 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^)+(0.0793P)^2^+1.0617P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5212
_refine_ls_number_parameters     497
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0584
_refine_ls_wR_factor_ref         0.1563
_refine_ls_wR_factor_gt          0.1479
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.041
_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 1.0000 0.0000 0.0000 0.0226(2) Uani 1 2 d S . .
Co2 Co 0.82459(6) 0.18369(5) 0.18900(5) 0.02104(19) Uani 1 1 d . . .
C1 C 0.6747(7) 0.3105(7) 0.3335(6) 0.069(2) Uani 1 1 d . A .
H1 H 0.7551 0.3746 0.3932 0.083 Uiso 1 1 calc R . .
N3 N 0.4569(5) 0.1985(5) 0.2304(4) 0.0634(15) Uani 1 1 d . A .
C2 C 0.5328(5) 0.1520(5) 0.1817(5) 0.0464(14) Uani 1 1 d . . .
H2 H 0.4962 0.0782 0.1119 0.056 Uiso 1 1 calc R . .
C3 C 0.5119(17) 0.3566(17) 0.4323(15) 0.069(5) Uani 0.59(2) 1 d P A 1
H3A H 0.4276 0.2983 0.4267 0.083 Uiso 0.59(2) 1 d PR A 1
H3B H 0.5841 0.3823 0.5050 0.083 Uiso 0.59(2) 1 d PR A 1
C4 C 0.4945(14) 0.4704(14) 0.4218(13) 0.069(5) Uani 0.59(2) 1 d P . 1
H4A H 0.4452 0.4462 0.3411 0.083 Uiso 0.59(2) 1 d PR A 1
H4B H 0.5838 0.5365 0.4475 0.083 Uiso 0.59(2) 1 d PR A 1
C3' C 0.487(3) 0.385(3) 0.382(2) 0.069(7) Uani 0.41(2) 1 d P A 1
H3'1 H 0.4687 0.4296 0.3371 0.083 Uiso 0.41(2) 1 d PR A 1
H3'2 H 0.4006 0.3369 0.3827 0.083 Uiso 0.41(2) 1 d PR A 1
C4' C 0.5848(19) 0.4778(18) 0.5040(17) 0.069(7) Uani 0.41(2) 1 d P . 1
H4'1 H 0.6328 0.4363 0.5377 0.083 Uiso 0.41(2) 1 d PR A 1
H4'2 H 0.6518 0.5475 0.5032 0.083 Uiso 0.41(2) 1 d PR A 1
C5 C 0.7433(4) -0.1475(4) 0.2167(4) 0.0216(9) Uani 1 1 d . . .
C6 C 0.8149(4) -0.1442(4) 0.3203(4) 0.0229(9) Uani 1 1 d . . .
H6 H 0.8781 -0.0672 0.3825 0.027 Uiso 1 1 calc R . .
C7 C 0.7917(4) -0.2565(4) 0.3307(4) 0.0256(10) Uani 1 1 d . . .
C8 C 0.6972(4) -0.3696(4) 0.2388(4) 0.0279(10) Uani 1 1 d . . .
H8 H 0.6812 -0.4442 0.2459 0.033 Uiso 1 1 calc R . .
C9 C 0.6253(4) -0.3740(4) 0.1357(4) 0.0262(10) Uani 1 1 d . . .
C10 C 0.6489(4) -0.2621(4) 0.1249(4) 0.0261(10) Uani 1 1 d . . .
H10 H 0.6009 -0.2648 0.0557 0.031 Uiso 1 1 calc R . .
C11 C 0.7685(4) -0.0272(4) 0.2061(4) 0.0213(9) Uani 1 1 d . . .
C12 C 0.8704(5) -0.2520(4) 0.4402(4) 0.0290(10) Uani 1 1 d . . .
C13 C 0.7226(4) 0.2898(4) -0.0649(4) 0.0228(9) Uani 1 1 d . . .
C14 C 0.7874(5) 0.4153(4) -0.0404(4) 0.0273(10) Uani 1 1 d . . .
H14 H 0.8540 0.4729 0.0328 0.033 Uiso 1 1 calc R . .
C15 C 0.7539(4) 0.4561(4) -0.1236(4) 0.0256(10) Uani 1 1 d . . .
C16 C 0.6546(4) 0.3693(4) -0.2328(4) 0.0245(9) Uani 1 1 d . . .
H16 H 0.6330 0.3955 -0.2895 0.029 Uiso 1 1 calc R . .
C17 C 0.5873(4) 0.2439(4) -0.2580(4) 0.0231(9) Uani 1 1 d . . .
C18 C 0.6232(4) 0.2038(4) -0.1739(4) 0.0251(10) Uani 1 1 d . . .
H18 H 0.5804 0.1193 -0.1911 0.030 Uiso 1 1 calc R . .
C19 C 0.3172(4) -0.0239(4) -0.5090(4) 0.0239(9) Uani 1 1 d . . .
C20 C 0.2549(4) -0.1512(4) -0.5377(4) 0.0266(10) Uani 1 1 d . . .
H20 H 0.2835 -0.1813 -0.4854 0.032 Uiso 1 1 calc R . .
C21 C 0.1495(4) -0.2335(4) -0.6450(4) 0.0253(10) Uani 1 1 d . . .
C22 C 0.1063(4) -0.1879(4) -0.7224(4) 0.0240(9) Uani 1 1 d . . .
H22 H 0.0360 -0.2433 -0.7943 0.029 Uiso 1 1 calc R . .
C23 C 0.1674(4) -0.0607(4) -0.6931(4) 0.0219(9) Uani 1 1 d . . .
C24 C 0.2725(4) 0.0214(4) -0.5863(4) 0.0248(9) Uani 1 1 d . . .
H24 H 0.3134 0.1071 -0.5662 0.030 Uiso 1 1 calc R . .
C25 C 0.7598(4) 0.2469(4) 0.0266(4) 0.0256(10) Uani 1 1 d . . .
C26 C 0.8249(5) 0.5895(4) -0.0988(4) 0.0313(11) Uani 1 1 d . . .
C27 C 0.0837(5) -0.3692(4) -0.6747(4) 0.0289(10) Uani 1 1 d . . .
C28 C 0.1185(4) -0.0053(4) -0.7719(4) 0.0231(9) Uani 1 1 d . . .
N1 N 0.6677(4) 0.2189(4) 0.2400(3) 0.0279(8) Uani 1 1 d . . .
N2 N 0.5496(6) 0.2973(5) 0.3294(5) 0.0688(16) Uani 1 1 d . . .
N5 N 0.4843(4) 0.1661(3) -0.3714(3) 0.0270(8) Uani 1 1 d . . .
N6 N 0.4232(4) 0.0524(4) -0.3958(3) 0.0281(8) Uani 1 1 d . . .
N4 N 0.5296(4) -0.4958(4) 0.0487(3) 0.0324(9) Uani 1 1 d . . .
O1 O 0.7035(3) -0.0294(3) 0.1137(3) 0.0306(7) Uani 1 1 d . . .
O2 O 0.8557(3) 0.0781(3) 0.2891(3) 0.0302(7) Uani 1 1 d . . .
O3 O 0.9597(4) -0.1369(3) 0.5156(3) 0.0445(9) Uani 1 1 d . . .
H3 H 0.9997 -0.1373 0.5758 0.053 Uiso 1 1 calc R . .
O4 O 0.8571(4) -0.3435(3) 0.4563(3) 0.0548(11) Uani 1 1 d . . .
O5 O 0.7021(3) 0.1346(3) 0.0045(3) 0.0370(8) Uani 1 1 d . . .
O6 O 0.8507(3) 0.3256(3) 0.1260(3) 0.0318(7) Uani 1 1 d . . .
O7 O 0.8936(5) 0.6658(3) 0.0125(3) 0.0561(11) Uani 1 1 d . . .
H7 H 0.9209 0.7396 0.0230 0.067 Uiso 1 1 calc R . .
O8 O 0.8222(4) 0.6235(3) -0.1731(3) 0.0424(9) Uani 1 1 d . . .
O9 O 0.1548(3) 0.1124(3) -0.7258(3) 0.0336(8) Uani 1 1 d . . .
O10 O 0.0427(3) -0.0778(3) -0.8783(3) 0.0284(7) Uani 1 1 d . . .
O11 O -0.0209(4) -0.4338(3) -0.7750(3) 0.0497(10) Uani 1 1 d . . .
H11 H -0.0476 -0.5097 -0.7927 0.060 Uiso 1 1 calc R . .
O12 O 0.1227(4) -0.4161(3) -0.6143(3) 0.0441(9) Uani 1 1 d . . .
O13 O 0.9740(4) 0.3408(3) 0.3471(3) 0.0384(10) Uani 1 1 d . . .
H13A H 1.002(7) 0.400(6) 0.360(6) 0.058 Uiso 1 1 d . . .
H13B H 1.013(7) 0.343(6) 0.396(5) 0.058 Uiso 1 1 d . . .
O14 O 0.9907(3) 0.1537(3) 0.1377(3) 0.0232(7) Uani 1 1 d D . .
H14B H 1.027(4) 0.223(3) 0.146(4) 0.028 Uiso 1 1 d D . .
H14A H 1.031(4) 0.143(4) 0.192(3) 0.028 Uiso 1 1 d D . .
O15 O 1.1997(3) 0.1124(3) 0.0533(3) 0.0318(8) Uani 1 1 d D . .
H15B H 1.237(4) 0.090(5) 0.008(3) 0.038 Uiso 1 1 d D . .
H15A H 1.249(4) 0.136(5) 0.120(2) 0.038 Uiso 1 1 d D . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Co1 0.0220(4) 0.0209(5) 0.0216(5) 0.0110(4) 0.0043(4) 0.0054(4)
Co2 0.0228(3) 0.0196(3) 0.0210(3) 0.0126(3) 0.0047(3) 0.0076(3)
C1 0.060(4) 0.068(5) 0.057(4) 0.001(4) 0.025(4) 0.028(4)
N3 0.032(3) 0.073(4) 0.050(3) -0.002(3) 0.012(2) 0.017(3)
C2 0.027(3) 0.043(3) 0.034(3) -0.007(3) 0.003(2) 0.007(2)
C3 0.060(9) 0.068(11) 0.057(11) 0.001(8) 0.025(8) 0.028(7)
C4 0.060(9) 0.068(9) 0.057(9) 0.001(7) 0.025(8) 0.028(7)
C3' 0.060(12) 0.068(16) 0.057(16) 0.001(12) 0.025(12) 0.028(11)
C4' 0.060(12) 0.068(13) 0.057(13) 0.001(10) 0.025(11) 0.028(10)
C5 0.018(2) 0.022(2) 0.021(2) 0.011(2) 0.0026(18) 0.0046(18)
C6 0.021(2) 0.020(2) 0.018(2) 0.0081(19) 0.0003(18) 0.0016(18)
C7 0.023(2) 0.023(2) 0.026(2) 0.012(2) 0.004(2) 0.0063(19)
C8 0.029(2) 0.015(2) 0.027(3) 0.010(2) -0.001(2) 0.0020(19)
C9 0.021(2) 0.020(2) 0.023(2) 0.007(2) 0.0000(19) 0.0005(19)
C10 0.025(2) 0.028(3) 0.024(2) 0.015(2) 0.003(2) 0.010(2)
C11 0.019(2) 0.022(2) 0.023(2) 0.013(2) 0.0084(19) 0.0057(19)
C12 0.032(3) 0.026(3) 0.025(3) 0.014(2) 0.004(2) 0.008(2)
C13 0.022(2) 0.020(2) 0.019(2) 0.010(2) 0.0008(19) 0.0047(19)
C14 0.029(2) 0.021(2) 0.019(2) 0.008(2) -0.001(2) 0.001(2)
C15 0.024(2) 0.023(2) 0.020(2) 0.009(2) 0.0008(19) 0.0043(19)
C16 0.031(2) 0.023(2) 0.019(2) 0.014(2) 0.005(2) 0.009(2)
C17 0.025(2) 0.019(2) 0.016(2) 0.0051(19) 0.0010(19) 0.0055(19)
C18 0.028(2) 0.017(2) 0.022(2) 0.008(2) 0.004(2) 0.0042(19)
C19 0.018(2) 0.025(2) 0.018(2) 0.008(2) -0.0013(18) 0.0050(19)
C20 0.031(3) 0.025(2) 0.023(2) 0.013(2) 0.005(2) 0.012(2)
C21 0.025(2) 0.019(2) 0.023(2) 0.008(2) 0.001(2) 0.0053(19)
C22 0.023(2) 0.019(2) 0.017(2) 0.0049(19) -0.0013(19) 0.0030(18)
C23 0.018(2) 0.023(2) 0.019(2) 0.010(2) 0.0008(18) 0.0049(18)
C24 0.024(2) 0.018(2) 0.026(2) 0.011(2) 0.004(2) 0.0036(19)
C25 0.029(2) 0.023(2) 0.025(3) 0.014(2) 0.007(2) 0.009(2)
C26 0.036(3) 0.023(2) 0.030(3) 0.014(2) 0.007(2) 0.006(2)
C27 0.031(3) 0.021(2) 0.025(3) 0.009(2) 0.005(2) 0.004(2)
C28 0.021(2) 0.027(3) 0.021(2) 0.016(2) 0.0024(19) 0.0069(19)
N1 0.025(2) 0.029(2) 0.025(2) 0.0088(18) 0.0056(17) 0.0120(17)
N2 0.060(3) 0.068(4) 0.057(4) 0.001(3) 0.025(3) 0.028(3)
N5 0.026(2) 0.022(2) 0.021(2) 0.0090(17) -0.0012(16) 0.0009(16)
N6 0.025(2) 0.025(2) 0.022(2) 0.0098(18) -0.0006(17) 0.0029(17)
N4 0.033(2) 0.018(2) 0.026(2) 0.0055(18) -0.0048(18) 0.0034(17)
O1 0.0404(19) 0.0308(18) 0.0220(17) 0.0156(15) 0.0060(15) 0.0165(16)
O2 0.0307(17) 0.0196(17) 0.0275(18) 0.0125(15) -0.0021(15) 0.0011(14)
O3 0.049(2) 0.029(2) 0.0257(19) 0.0135(17) -0.0148(17) -0.0030(17)
O4 0.068(3) 0.029(2) 0.036(2) 0.0211(18) -0.0165(19) 0.0002(19)
O5 0.048(2) 0.0229(18) 0.0320(19) 0.0178(16) 0.0048(17) 0.0053(16)
O6 0.0353(18) 0.0218(17) 0.0206(17) 0.0102(15) -0.0073(15) 0.0016(14)
O7 0.086(3) 0.0182(18) 0.0238(19) 0.0084(16) -0.0060(19) -0.0097(19)
O8 0.059(2) 0.0264(19) 0.030(2) 0.0173(17) 0.0075(18) 0.0027(17)
O9 0.0415(19) 0.0230(18) 0.0259(18) 0.0114(15) -0.0019(15) 0.0107(15)
O10 0.0317(18) 0.0256(17) 0.0214(17) 0.0139(15) 0.0002(14) 0.0065(14)
O11 0.059(2) 0.0194(18) 0.033(2) 0.0098(17) -0.0182(18) -0.0032(18)
O12 0.054(2) 0.0235(18) 0.034(2) 0.0172(17) -0.0064(18) 0.0015(17)
O13 0.044(2) 0.0257(19) 0.028(2) 0.0173(19) -0.0079(17) 0.0011(17)
O14 0.0248(17) 0.0197(16) 0.0269(17) 0.0150(15) 0.0077(14) 0.0071(14)
O15 0.0215(17) 0.040(2) 0.0223(17) 0.0099(17) 0.0043(14) 0.0051(15)

_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 O15 2.026(3) . ?
Co1 O15 2.026(3) 2_755 ?
Co1 O14 2.158(3) . ?
Co1 O14 2.158(3) 2_755 ?
Co1 O10 2.184(3) 2_654 ?
Co1 O10 2.184(3) 1_656 ?
Co2 N1 2.093(3) . ?
Co2 O13 2.130(4) . ?
Co2 O14 2.172(3) . ?
Co2 O6 2.176(3) . ?
Co2 O2 2.204(3) . ?
Co2 O5 2.262(3) . ?
Co2 O1 2.282(3) . ?
C1 N1 1.313(7) . ?
C1 N2 1.324(8) . ?
C1 H1 0.9300 . ?
N3 C2 1.304(7) . ?
N3 N2 1.334(7) . ?
C2 N1 1.339(6) . ?
C2 H2 0.9300 . ?
C3 C3' 0.88(2) . ?
C3 C4' 1.32(2) . ?
C3 C4 1.51(3) . ?
C3 N2 1.518(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C3' 0.96(2) . ?
C4 C4' 1.24(2) . ?
C4 C4' 1.552(16) 2_666 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H3'1 0.9839 . ?
C3' N2 1.49(2) . ?
C3' C4' 1.50(4) . ?
C3' H3'1 0.9700 . ?
C3' H3'2 0.9700 . ?
C4' C4 1.552(16) 2_666 ?
C4' H4'1 0.9700 . ?
C4' H4'2 0.9700 . ?
C5 C10 1.382(6) . ?
C5 C6 1.395(6) . ?
C5 C11 1.494(6) . ?
C6 C7 1.399(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.373(6) . ?
C7 C12 1.481(6) . ?
C8 C9 1.385(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(6) . ?
C9 N4 1.413(6) . ?
C10 H10 0.9300 . ?
C11 O1 1.252(5) . ?
C11 O2 1.265(5) . ?
C12 O4 1.197(5) . ?
C12 O3 1.311(6) . ?
C13 C18 1.386(6) . ?
C13 C14 1.386(6) . ?
C13 C25 1.509(6) . ?
C14 C15 1.387(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.388(6) . ?
C15 C26 1.482(6) . ?
C16 C17 1.386(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.395(6) . ?
C17 N5 1.423(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.388(6) . ?
C19 C24 1.391(6) . ?
C19 N6 1.432(5) . ?
C20 C21 1.389(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(6) . ?
C21 C27 1.481(6) . ?
C22 C23 1.383(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.384(6) . ?
C23 C28 1.517(5) . ?
C24 H24 0.9300 . ?
C25 O5 1.239(5) . ?
C25 O6 1.265(5) . ?
C26 O8 1.203(5) . ?
C26 O7 1.313(6) . ?
C27 O12 1.212(5) . ?
C27 O11 1.318(5) . ?
C28 O9 1.249(5) . ?
C28 O10 1.270(5) . ?
N5 N6 1.251(5) . ?
N4 N4 1.257(7) 2_645 ?
O3 H3 0.8200 . ?
O7 H7 0.8200 . ?
O10 Co1 2.184(3) 1_454 ?
O11 H11 0.8200 . ?
O13 H13A 0.64(6) . ?
O13 H13B 0.68(6) . ?
O14 H14B 0.80(2) . ?
O14 H14A 0.82(2) . ?
O15 H15B 0.82(2) . ?
O15 H15A 0.81(2) . ?

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
O15 Co1 O15 180.0 . 2_755 ?
O15 Co1 O14 86.72(12) . . ?
O15 Co1 O14 93.28(12) 2_755 . ?
O15 Co1 O14 93.28(12) . 2_755 ?
O15 Co1 O14 86.72(12) 2_755 2_755 ?
O14 Co1 O14 180.0 . 2_755 ?
O15 Co1 O10 86.87(12) . 2_654 ?
O15 Co1 O10 93.13(12) 2_755 2_654 ?
O14 Co1 O10 92.54(11) . 2_654 ?
O14 Co1 O10 87.46(11) 2_755 2_654 ?
O15 Co1 O10 93.13(12) . 1_656 ?
O15 Co1 O10 86.87(12) 2_755 1_656 ?
O14 Co1 O10 87.46(11) . 1_656 ?
O14 Co1 O10 92.54(11) 2_755 1_656 ?
O10 Co1 O10 179.999(1) 2_654 1_656 ?
N1 Co2 O13 90.42(16) . . ?
N1 Co2 O14 178.13(13) . . ?
O13 Co2 O14 88.31(15) . . ?
N1 Co2 O6 92.59(13) . . ?
O13 Co2 O6 82.75(12) . . ?
O14 Co2 O6 85.89(11) . . ?
N1 Co2 O2 93.65(13) . . ?
O13 Co2 O2 82.39(12) . . ?
O14 Co2 O2 87.54(11) . . ?
O6 Co2 O2 163.92(12) . . ?
N1 Co2 O5 90.10(14) . . ?
O13 Co2 O5 141.15(12) . . ?
O14 Co2 O5 90.03(12) . . ?
O6 Co2 O5 58.42(11) . . ?
O2 Co2 O5 136.31(11) . . ?
N1 Co2 O1 90.15(13) . . ?
O13 Co2 O1 140.06(11) . . ?
O14 Co2 O1 91.70(11) . . ?
O6 Co2 O1 137.10(11) . . ?
O2 Co2 O1 57.72(11) . . ?
O5 Co2 O1 78.78(11) . . ?
N1 C1 N2 109.5(6) . . ?
N1 C1 H1 125.3 . . ?
N2 C1 H1 125.3 . . ?
C2 N3 N2 102.3(4) . . ?
N3 C2 N1 114.8(5) . . ?
N3 C2 H2 122.6 . . ?
N1 C2 H2 122.6 . . ?
C4' C3 N2 117.5(15) . . ?
C4 C3 N2 102.6(14) . . ?
C3' C3 H3A 105.3 . . ?
C4' C3 H3A 130.7 . . ?
C4 C3 H3A 111.2 . . ?
N2 C3 H3A 111.2 . . ?
C3' C3 H3B 140.9 . . ?
C4 C3 H3B 111.2 . . ?
N2 C3 H3B 111.2 . . ?
C4' C3 H3'2 112.2 . . ?
H3A C3 H3'2 50.7 . . ?
H3B C3 H3'2 149.1 . . ?
C3' C3 H4'1 120.7 . . ?
N2 C3 H4'1 111.0 . . ?
H3A C3 H4'1 124.8 . . ?
H3'2 C3 H4'1 146.7 . . ?
C3' C4 C4' 130(2) . 2_666 ?
C4' C4 C4' 94.9(15) . 2_666 ?
C3 C4 C4' 111.0(14) . 2_666 ?
C3' C4 C4 117(3) . 2_666 ?
C4' C4 H4A 155.4 . . ?
C3 C4 H4A 109.4 . . ?
C4' C4 H4A 109.4 2_666 . ?
C4 C4 H4A 149.9 2_666 . ?
C3' C4 H4B 115.8 . . ?
C3 C4 H4B 109.4 . . ?
C4' C4 H4B 109.4 2_666 . ?
H4A C4 H4B 108.0 . . ?
C4' C4 H3'1 133.5 . . ?
C4' C4 H3'1 130.5 2_666 . ?
C4 C4 H3'1 168.0 2_666 . ?
H4B C4 H3'1 101.7 . . ?
H4B C4 H3'2 153.2 . . ?
C3' C4 H4'2 104.0 . . ?
C4' C4 H4'2 105.8 2_666 . ?
H4A C4 H4'2 132.1 . . ?
H3'1 C4 H4'2 119.0 . . ?
H3'2 C4 H4'2 131.0 . . ?
C4 C3' H3A 115.2 . . ?
C3 C3' H4A 160.2 . . ?
N2 C3' H4A 125.1 . . ?
C4' C3' H4A 105.8 . . ?
H3A C3' H4A 133.8 . . ?
C3 C3' H3'1 170.6 . . ?
N2 C3' H3'1 110.1 . . ?
C4' C3' H3'1 110.1 . . ?
H3A C3' H3'1 146.2 . . ?
C4 C3' H3'2 101.3 . . ?
N2 C3' H3'2 110.1 . . ?
C4' C3' H3'2 110.1 . . ?
H4A C3' H3'2 96.9 . . ?
H3'1 C3' H3'2 108.4 . . ?
C3 C4' C4 109.4(14) . 2_666 ?
C3' C4' C4 109.7(17) . 2_666 ?
C4 C4' H3B 117.7 . . ?
C4 C4' H3B 108.9 2_666 . ?
C3 C4' H4B 108.1 . . ?
C4 C4' H4B 100.3 2_666 . ?
H3B C4' H4B 145.7 . . ?
C4 C4' H4'1 149.1 . . ?
C3' C4' H4'1 109.7 . . ?
C4 C4' H4'1 109.7 2_666 . ?
H4B C4' H4'1 146.0 . . ?
C4 C4' H4'2 90.8 . . ?
C3 C4' H4'2 135.6 . . ?
C3' C4' H4'2 109.7 . . ?
C4 C4' H4'2 109.7 2_666 . ?
H3B C4' H4'2 133.4 . . ?
H4'1 C4' H4'2 108.2 . . ?
C10 C5 C6 119.6(4) . . ?
C10 C5 C11 120.5(4) . . ?
C6 C5 C11 119.9(4) . . ?
C5 C6 C7 120.1(4) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 119.6(4) . . ?
C8 C7 C12 120.8(4) . . ?
C6 C7 C12 119.6(4) . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 N4 115.2(4) . . ?
C10 C9 N4 125.1(4) . . ?
C5 C10 C9 120.2(4) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
O1 C11 O2 118.8(4) . . ?
O1 C11 C5 120.2(4) . . ?
O2 C11 C5 121.1(4) . . ?
O4 C12 O3 124.1(4) . . ?
O4 C12 C7 123.9(4) . . ?
O3 C12 C7 111.9(4) . . ?
C18 C13 C14 119.7(4) . . ?
C18 C13 C25 120.1(4) . . ?
C14 C13 C25 120.2(4) . . ?
C13 C14 C15 120.8(4) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C14 C15 C16 119.2(4) . . ?
C14 C15 C26 121.0(4) . . ?
C16 C15 C26 119.7(4) . . ?
C17 C16 C15 120.7(4) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.5(4) . . ?
C16 C17 N5 115.0(4) . . ?
C18 C17 N5 125.5(4) . . ?
C13 C18 C17 120.1(4) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 120.1(4) . . ?
C20 C19 N6 114.8(4) . . ?
C24 C19 N6 125.0(4) . . ?
C19 C20 C21 119.6(4) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C20 C21 C22 120.0(4) . . ?
C20 C21 C27 119.1(4) . . ?
C22 C21 C27 120.9(4) . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.8(4) . . ?
C22 C23 C28 122.2(4) . . ?
C24 C23 C28 118.0(4) . . ?
C23 C24 C19 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
O5 C25 O6 119.9(4) . . ?
O5 C25 C13 120.2(4) . . ?
O6 C25 C13 120.0(4) . . ?
O8 C26 O7 123.7(4) . . ?
O8 C26 C15 123.4(4) . . ?
O7 C26 C15 112.9(4) . . ?
O12 C27 O11 123.7(4) . . ?
O12 C27 C21 123.8(4) . . ?
O11 C27 C21 112.4(4) . . ?
O9 C28 O10 123.4(4) . . ?
O9 C28 C23 116.4(4) . . ?
O10 C28 C23 120.2(4) . . ?
C1 N1 C2 102.9(4) . . ?
C1 N1 Co2 129.8(4) . . ?
C2 N1 Co2 127.3(3) . . ?
C1 N2 N3 110.4(5) . . ?
C1 N2 C3' 135.0(11) . . ?
N3 N2 C3' 110.3(11) . . ?
C1 N2 C3 125.8(8) . . ?
N3 N2 C3 121.5(8) . . ?
N6 N5 C17 115.9(4) . . ?
N5 N6 C19 115.2(4) . . ?
N4 N4 C9 116.6(5) 2_645 . ?
C11 O1 Co2 90.1(3) . . ?
C11 O2 Co2 93.3(2) . . ?
C12 O3 H3 109.5 . . ?
C25 O5 Co2 89.2(3) . . ?
C25 O6 Co2 92.5(2) . . ?
C26 O7 H7 109.5 . . ?
C28 O10 Co1 120.8(3) . 1_454 ?
C27 O11 H11 109.5 . . ?
Co1 O14 Co2 133.23(14) . . ?
Co1 O14 H14B 117(3) . . ?
H15B O15 H15A 112(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
N2 N3 C2 N1 -3.5(7) . . . . ?
C4' C3 C4 C3' 147(4) . . . . ?
N2 C3 C4 C3' 32(3) . . . . ?
C3' C3 C4 C4' -147(4) . . . . ?
N2 C3 C4 C4' -115.2(15) . . . . ?
C3' C3 C4 C4' 132(4) . . . 2_666 ?
C4' C3 C4 C4' -81.4(17) . . . 2_666 ?
N2 C3 C4 C4' 163.4(13) . . . 2_666 ?
C3' C3 C4 C4 164(4) . . . 2_666 ?
C4' C3 C4 C4 -49.0(11) . . . 2_666 ?
N2 C3 C4 C4 -164.2(11) . . . 2_666 ?
C4' C3 C3' C4 -25(3) . . . . ?
N2 C3 C3' C4 -147(3) . . . . ?
C4' C3 C3' N2 121.7(10) . . . . ?
C4 C3 C3' N2 147(3) . . . . ?
C4 C3 C3' C4' 25(3) . . . . ?
N2 C3 C3' C4' -121.7(10) . . . . ?
C4' C4 C3' C3 27(3) . . . . ?
C4' C4 C3' C3 -65(5) 2_666 . . . ?
C4 C4 C3' C3 -18(4) 2_666 . . . ?
C4' C4 C3' N2 -67(6) . . . . ?
C3 C4 C3' N2 -93(7) . . . . ?
C4' C4 C3' N2 -159(4) 2_666 . . . ?
C4 C4 C3' N2 -112(5) 2_666 . . . ?
C3 C4 C3' C4' -27(3) . . . . ?
C4' C4 C3' C4' -92(3) 2_666 . . . ?
C4 C4 C3' C4' -45.0(17) 2_666 . . . ?
C3' C4 C4' C3 -17(2) . . . . ?
C4' C4 C4' C3 112.1(13) 2_666 . . . ?
C4 C4 C4' C3 112.1(14) 2_666 . . . ?
C3 C4 C4' C3' 17(2) . . . . ?
C4' C4 C4' C3' 129(2) 2_666 . . . ?
C4 C4 C4' C3' 129(2) 2_666 . . . ?
C3' C4 C4' C4 -129(2) . . . 2_666 ?
C3 C4 C4' C4 -112.1(13) . . . 2_666 ?
C4' C4 C4' C4 -0.002(2) 2_666 . . 2_666 ?
C3' C3 C4' C4 19(2) . . . . ?
N2 C3 C4' C4 84.4(18) . . . . ?
C4 C3 C4' C3' -19(2) . . . . ?
N2 C3 C4' C3' 65(2) . . . . ?
C3' C3 C4' C4 97(3) . . . 2_666 ?
C4 C3 C4' C4 78.2(19) . . . 2_666 ?
N2 C3 C4' C4 162.5(12) . . . 2_666 ?
C3 C3' C4' C4 -151(3) . . . . ?
N2 C3' C4' C4 150(3) . . . . ?
C4 C3' C4' C3 151(3) . . . . ?
N2 C3' C4' C3 -60(2) . . . . ?
C3 C3' C4' C4 -96(2) . . . 2_666 ?
C4 C3' C4' C4 55(2) . . . 2_666 ?
N2 C3' C4' C4 -155.5(14) . . . 2_666 ?
C10 C5 C6 C7 0.5(6) . . . . ?
C11 C5 C6 C7 180.0(4) . . . . ?
C5 C6 C7 C8 -0.7(6) . . . . ?
C5 C6 C7 C12 178.7(4) . . . . ?
C6 C7 C8 C9 0.5(7) . . . . ?
C12 C7 C8 C9 -178.9(4) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C7 C8 C9 N4 -179.0(4) . . . . ?
C6 C5 C10 C9 -0.1(6) . . . . ?
C11 C5 C10 C9 -179.6(4) . . . . ?
C8 C9 C10 C5 -0.1(6) . . . . ?
N4 C9 C10 C5 178.7(4) . . . . ?
C10 C5 C11 O1 0.3(6) . . . . ?
C6 C5 C11 O1 -179.2(4) . . . . ?
C10 C5 C11 O2 -179.3(4) . . . . ?
C6 C5 C11 O2 1.2(6) . . . . ?
C8 C7 C12 O4 -0.5(7) . . . . ?
C6 C7 C12 O4 -179.9(5) . . . . ?
C8 C7 C12 O3 177.1(4) . . . . ?
C6 C7 C12 O3 -2.3(6) . . . . ?
C18 C13 C14 C15 0.0(7) . . . . ?
C25 C13 C14 C15 -179.8(4) . . . . ?
C13 C14 C15 C16 -0.2(7) . . . . ?
C13 C14 C15 C26 -178.6(4) . . . . ?
C14 C15 C16 C17 1.3(6) . . . . ?
C26 C15 C16 C17 179.7(4) . . . . ?
C15 C16 C17 C18 -2.1(6) . . . . ?
C15 C16 C17 N5 177.7(4) . . . . ?
C14 C13 C18 C17 -0.8(6) . . . . ?
C25 C13 C18 C17 179.0(4) . . . . ?
C16 C17 C18 C13 1.9(6) . . . . ?
N5 C17 C18 C13 -177.9(4) . . . . ?
C24 C19 C20 C21 1.2(6) . . . . ?
N6 C19 C20 C21 179.2(4) . . . . ?
C19 C20 C21 C22 -0.5(6) . . . . ?
C19 C20 C21 C27 -180.0(4) . . . . ?
C20 C21 C22 C23 -0.3(6) . . . . ?
C27 C21 C22 C23 179.2(4) . . . . ?
C21 C22 C23 C24 0.3(6) . . . . ?
C21 C22 C23 C28 -176.5(4) . . . . ?
C22 C23 C24 C19 0.4(6) . . . . ?
C28 C23 C24 C19 177.4(4) . . . . ?
C20 C19 C24 C23 -1.2(6) . . . . ?
N6 C19 C24 C23 -178.9(4) . . . . ?
C18 C13 C25 O5 0.4(6) . . . . ?
C14 C13 C25 O5 -179.8(4) . . . . ?
C18 C13 C25 O6 179.9(4) . . . . ?
C14 C13 C25 O6 -0.3(6) . . . . ?
C14 C15 C26 O8 163.2(5) . . . . ?
C16 C15 C26 O8 -15.1(7) . . . . ?
C14 C15 C26 O7 -15.3(6) . . . . ?
C16 C15 C26 O7 166.4(4) . . . . ?
C20 C21 C27 O12 -5.7(7) . . . . ?
C22 C21 C27 O12 174.8(4) . . . . ?
C20 C21 C27 O11 175.2(4) . . . . ?
C22 C21 C27 O11 -4.2(6) . . . . ?
C22 C23 C28 O9 161.7(4) . . . . ?
C24 C23 C28 O9 -15.2(6) . . . . ?
C22 C23 C28 O10 -17.1(6) . . . . ?
C24 C23 C28 O10 166.0(4) . . . . ?
N2 C1 N1 C2 -0.1(7) . . . . ?
N2 C1 N1 Co2 178.8(4) . . . . ?
N3 C2 N1 C1 2.3(7) . . . . ?
N3 C2 N1 Co2 -176.6(4) . . . . ?
O13 Co2 N1 C1 3.0(5) . . . . ?
O6 Co2 N1 C1 -79.7(5) . . . . ?
O2 Co2 N1 C1 85.4(5) . . . . ?
O5 Co2 N1 C1 -138.1(5) . . . . ?
O1 Co2 N1 C1 143.1(5) . . . . ?
O13 Co2 N1 C2 -178.3(4) . . . . ?
O6 Co2 N1 C2 98.9(4) . . . . ?
O2 Co2 N1 C2 -95.9(4) . . . . ?
O5 Co2 N1 C2 40.5(4) . . . . ?
O1 Co2 N1 C2 -38.3(4) . . . . ?
N1 C1 N2 N3 -2.1(9) . . . . ?
N1 C1 N2 C3' -155.7(17) . . . . ?
N1 C1 N2 C3 160.7(11) . . . . ?
C2 N3 N2 C1 3.3(8) . . . . ?
C2 N3 N2 C3' 163.7(13) . . . . ?
C2 N3 N2 C3 -160.3(10) . . . . ?
C3 C3' N2 C1 -90(3) . . . . ?
C4 C3' N2 C1 14(7) . . . . ?
C4' C3' N2 C1 -39(3) . . . . ?
C3 C3' N2 N3 117(2) . . . . ?
C4 C3' N2 N3 -139(6) . . . . ?
C4' C3' N2 N3 167.8(15) . . . . ?
C4 C3' N2 C3 104(7) . . . . ?
C4' C3' N2 C3 51(2) . . . . ?
C3' C3 N2 C1 119(2) . . . . ?
C4' C3 N2 C1 47(3) . . . . ?
C4 C3 N2 C1 100.1(14) . . . . ?
C3' C3 N2 N3 -80(3) . . . . ?
C4' C3 N2 N3 -151.9(17) . . . . ?
C4 C3 N2 N3 -98.9(12) . . . . ?
C4' C3 N2 C3' -72(3) . . . . ?
C4 C3 N2 C3' -19(2) . . . . ?
C16 C17 N5 N6 179.6(4) . . . . ?
C18 C17 N5 N6 -0.7(6) . . . . ?
C17 N5 N6 C19 178.3(3) . . . . ?
C20 C19 N6 N5 176.7(4) . . . . ?
C24 C19 N6 N5 -5.4(6) . . . . ?
C8 C9 N4 N4 -174.8(5) . . . 2_645 ?
C10 C9 N4 N4 6.4(8) . . . 2_645 ?
O2 C11 O1 Co2 2.4(4) . . . . ?
C5 C11 O1 Co2 -177.2(3) . . . . ?
N1 Co2 O1 C11 -95.6(2) . . . . ?
O13 Co2 O1 C11 -4.8(3) . . . . ?
O14 Co2 O1 C11 84.6(2) . . . . ?
O6 Co2 O1 C11 170.4(2) . . . . ?
O2 Co2 O1 C11 -1.4(2) . . . . ?
O5 Co2 O1 C11 174.3(3) . . . . ?
O1 C11 O2 Co2 -2.5(4) . . . . ?
C5 C11 O2 Co2 177.1(3) . . . . ?
N1 Co2 O2 C11 89.3(3) . . . . ?
O13 Co2 O2 C11 179.2(3) . . . . ?
O14 Co2 O2 C11 -92.2(2) . . . . ?
O6 Co2 O2 C11 -158.1(4) . . . . ?
O5 Co2 O2 C11 -4.7(3) . . . . ?
O1 Co2 O2 C11 1.4(2) . . . . ?
O6 C25 O5 Co2 2.1(4) . . . . ?
C13 C25 O5 Co2 -178.4(4) . . . . ?
N1 Co2 O5 C25 91.7(3) . . . . ?
O13 Co2 O5 C25 0.9(4) . . . . ?
O14 Co2 O5 C25 -86.4(3) . . . . ?
O6 Co2 O5 C25 -1.2(2) . . . . ?
O2 Co2 O5 C25 -172.9(2) . . . . ?
O1 Co2 O5 C25 -178.1(3) . . . . ?
O5 C25 O6 Co2 -2.2(4) . . . . ?
C13 C25 O6 Co2 178.3(3) . . . . ?
N1 Co2 O6 C25 -87.3(3) . . . . ?
O13 Co2 O6 C25 -177.4(3) . . . . ?
O14 Co2 O6 C25 93.8(3) . . . . ?
O2 Co2 O6 C25 159.9(4) . . . . ?
O5 Co2 O6 C25 1.2(2) . . . . ?
O1 Co2 O6 C25 5.7(3) . . . . ?
O9 C28 O10 Co1 12.0(6) . . . 1_454 ?
C23 C28 O10 Co1 -169.3(3) . . . 1_454 ?
O15 Co1 O14 Co2 174.7(2) . . . . ?
O15 Co1 O14 Co2 -5.3(2) 2_755 . . . ?
O10 Co1 O14 Co2 88.03(19) 2_654 . . . ?
O10 Co1 O14 Co2 -91.97(19) 1_656 . . . ?
O13 Co2 O14 Co1 167.71(19) . . . . ?
O6 Co2 O14 Co1 -109.43(19) . . . . ?
O2 Co2 O14 Co1 85.26(19) . . . . ?
O5 Co2 O14 Co1 -51.11(19) . . . . ?
O1 Co2 O14 Co1 27.67(19) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.383
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.099