# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Junfeng Bai'
_publ_contact_author_email       BJUNFENG@NJU.EDU.CN

_publ_section_title              
;
Topology Diversity and Properties of 3D Cobalt
Coordination Polymers from a Series of 1D Rodlike
Dipyridyl-Containing Building Blocks and a Flexible Tripodal Acid
with Additional Amide Groups
;
loop_
_publ_author_name
'Junfeng Bai'
'Yi-Zhi Li'
'Tianyin Min'
'Ran Sun'
'Zhuxiu Zhang'
;
Bo Zheng
;

# Attachment '735371.cif'

data_complex1
_database_code_depnum_ccdc_archive 'CCDC 735371'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H60 Co3 N12 O24, 10(H2 O)'
_chemical_formula_sum            'C60 H80 Co3 N12 O34'
_chemical_formula_weight         1690.15

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   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   11.5018(6)
_cell_length_b                   22.2844(12)
_cell_length_c                   14.1872(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.802(2)
_cell_angle_gamma                90.00
_cell_volume                     3545.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    4739
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      24.31

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1754
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_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            18960
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6876
_reflns_number_gt                4436
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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)+(0.07P)²+1.99P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6876
_refine_ls_number_parameters     493
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1517
_refine_ls_wR_factor_gt          0.1431
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2340(4) 0.87094(19) 0.7416(3) 0.0324(10) Uani 1 1 d . . .
C2 C 0.1140(4) 0.88000(19) 0.7270(3) 0.0333(10) Uani 1 1 d . . .
H2 H 0.0835 0.9186 0.7155 0.040 Uiso 1 1 calc R . .
C3 C 0.0362(4) 0.83212(18) 0.7291(3) 0.0300(9) Uani 1 1 d . . .
C4 C 0.0819(4) 0.77448(19) 0.7426(3) 0.0338(10) Uani 1 1 d . . .
H4 H 0.0310 0.7424 0.7453 0.041 Uiso 1 1 calc R . .
C5 C 0.2035(4) 0.76418(19) 0.7522(3) 0.0316(9) Uani 1 1 d . . .
C6 C 0.2788(4) 0.81350(19) 0.7511(3) 0.0322(9) Uani 1 1 d . . .
H6 H 0.3600 0.8073 0.7568 0.039 Uiso 1 1 calc R . .
C7 C 0.3202(4) 0.92272(19) 0.7492(3) 0.0319(9) Uani 1 1 d . . .
C8 C 0.3470(4) 1.0304(2) 0.7834(3) 0.0359(10) Uani 1 1 d . . .
H8A H 0.3098 1.0577 0.7323 0.043 Uiso 1 1 calc R . .
H8B H 0.4267 1.0218 0.7751 0.043 Uiso 1 1 calc R . .
C9 C 0.3560(4) 1.0612(2) 0.8803(3) 0.0354(10) Uani 1 1 d . . .
C10 C -0.0906(4) 0.84927(18) 0.7248(3) 0.0303(9) Uani 1 1 d . . .
C11 C -0.2894(4) 0.8201(2) 0.7313(4) 0.0414(11) Uani 1 1 d . . .
H11A H -0.3105 0.8600 0.7059 0.050 Uiso 1 1 calc R . .
H11B H -0.2947 0.8197 0.7986 0.050 Uiso 1 1 calc R . .
C12 C -0.3780(4) 0.77433(18) 0.6745(3) 0.0303(9) Uani 1 1 d . . .
C13 C 0.2477(4) 0.7011(2) 0.7674(3) 0.0334(10) Uani 1 1 d . . .
C14 C 0.3982(4) 0.62716(19) 0.7556(3) 0.0318(9) Uani 1 1 d . . .
H14A H 0.4614 0.6244 0.7204 0.038 Uiso 1 1 calc R . .
H14B H 0.3357 0.5996 0.7253 0.038 Uiso 1 1 calc R . .
C15 C 0.4472(4) 0.60646(19) 0.8584(3) 0.0309(9) Uani 1 1 d . . .
C16 C 0.7468(4) 0.5494(2) 0.9785(3) 0.0349(10) Uani 1 1 d . . .
H16 H 0.7043 0.5852 0.9667 0.042 Uiso 1 1 calc R . .
C17 C 0.8667(4) 0.5512(2) 0.9806(3) 0.0357(10) Uani 1 1 d . . .
H17 H 0.9019 0.5875 0.9702 0.043 Uiso 1 1 calc R . .
C18 C 0.9359(4) 0.5002(2) 0.9979(3) 0.0356(10) Uani 1 1 d . . .
C19 C 0.8747(4) 0.44850(19) 1.0124(3) 0.0309(9) Uani 1 1 d . . .
H19 H 0.9156 0.4123 1.0245 0.037 Uiso 1 1 calc R . .
C20 C 0.7532(4) 0.45034(19) 1.0090(3) 0.0314(9) Uani 1 1 d . . .
H20 H 0.7155 0.4147 1.0190 0.038 Uiso 1 1 calc R . .
C21 C 0.6431(4) 1.2368(2) 0.9923(3) 0.0338(10) Uani 1 1 d . . .
H21 H 0.6007 1.2726 0.9886 0.041 Uiso 1 1 calc R . .
C22 C 0.7631(4) 1.2394(2) 0.9934(3) 0.0354(10) Uani 1 1 d . . .
H22 H 0.7987 1.2766 0.9908 0.043 Uiso 1 1 calc R . .
C23 C 0.8320(4) 1.1881(2) 0.9983(3) 0.0378(10) Uani 1 1 d . . .
C24 C 0.7709(4) 1.1341(2) 1.0044(3) 0.0347(10) Uani 1 1 d . . .
H24 H 0.8115 1.0978 1.0096 0.042 Uiso 1 1 calc R . .
C25 C 0.6514(4) 1.1351(2) 1.0027(3) 0.0360(10) Uani 1 1 d . . .
H25 H 0.6137 1.0985 1.0061 0.043 Uiso 1 1 calc R . .
C26 C 0.9586(4) 1.1890(2) 0.9962(3) 0.0342(10) Uani 1 1 d . . .
C27 C 1.0318(4) 1.2372(2) 1.0202(3) 0.0342(10) Uani 1 1 d . . .
H27 H 1.0011 1.2727 1.0392 0.041 Uiso 1 1 calc R . .
C28 C 1.1499(4) 1.2344(2) 1.0168(3) 0.0336(10) Uani 1 1 d . . .
H28 H 1.1958 1.2689 1.0329 0.040 Uiso 1 1 calc R . .
C29 C 1.1323(4) 1.1403(2) 0.9674(3) 0.0357(10) Uani 1 1 d . . .
H29 H 1.1647 1.1058 0.9469 0.043 Uiso 1 1 calc R . .
C30 C 1.0141(4) 1.1395(2) 0.9692(3) 0.0355(10) Uani 1 1 d . . .
H30 H 0.9703 1.1046 0.9518 0.043 Uiso 1 1 calc R . .
Co1 Co 0.5000 0.5000 1.0000 0.0324(2) Uani 1 2 d S . .
Co2 Co 0.39535(5) 1.18313(3) 0.99168(4) 0.03151(17) Uani 1 1 d . . .
N1 N 0.2774(3) 0.97361(16) 0.7736(2) 0.0332(8) Uani 1 1 d . . .
H1A H 0.2587 0.9673 0.8311 0.040 Uiso 1 1 d R . .
N2 N -0.1687(3) 0.80669(16) 0.7248(2) 0.0329(8) Uani 1 1 d . . .
H2B H -0.1740 0.7862 0.6694 0.039 Uiso 1 1 d R . .
N3 N 0.3507(3) 0.68742(16) 0.7450(3) 0.0361(9) Uani 1 1 d . . .
H3A H 0.3900 0.7150 0.7234 0.043 Uiso 1 1 d R . .
N4 N 0.6870(3) 0.49991(16) 0.9922(3) 0.0359(9) Uani 1 1 d . . .
N5 N 0.5847(3) 1.18516(16) 0.9963(3) 0.0341(8) Uani 1 1 d . . .
N6 N 1.2028(3) 1.18614(16) 0.9923(3) 0.0345(8) Uani 1 1 d . . .
O1 O 0.4208(3) 0.91585(13) 0.7355(2) 0.0378(7) Uani 1 1 d . . .
O2 O 0.3510(3) 1.03044(13) 0.9522(2) 0.0357(7) Uani 1 1 d . . .
O3 O 0.3710(3) 1.11752(13) 0.8793(2) 0.0331(7) Uani 1 1 d . . .
O4 O -0.1163(3) 0.90157(13) 0.7272(2) 0.0396(8) Uani 1 1 d . . .
O5 O -0.3549(3) 0.75433(14) 0.5990(2) 0.0380(7) Uani 1 1 d . . .
O6 O -0.4682(3) 0.76298(12) 0.7062(2) 0.0318(7) Uani 1 1 d . . .
O7 O 0.1885(3) 0.66219(13) 0.8009(2) 0.0357(7) Uani 1 1 d . . .
O8 O 0.4788(3) 0.64486(13) 0.9241(2) 0.0348(7) Uani 1 1 d . . .
O9 O 0.4530(3) 0.55028(13) 0.8710(2) 0.0319(7) Uani 1 1 d . . .
O1W O 0.5317(3) 0.57814(13) 1.08411(19) 0.0321(7) Uani 1 1 d . . .
H1X H 0.4686 0.5968 1.0570 0.039 Uiso 1 1 d R . .
H1Y H 0.5147 0.5518 1.1223 0.039 Uiso 1 1 d R . .
O2W O 0.4236(3) 1.24745(13) 1.1027(2) 0.0335(7) Uani 1 1 d . . .
H2X H 0.4842 1.2686 1.1000 0.040 Uiso 1 1 d R . .
H2Y H 0.4351 1.2295 1.1568 0.040 Uiso 1 1 d R . .
O3W O 0.4137(3) 1.11211(14) 1.0917(2) 0.0403(8) Uani 1 1 d . . .
H3X H 0.3662 1.0874 1.0573 0.048 Uiso 1 1 d R . .
H3Y H 0.4577 1.0936 1.1388 0.048 Uiso 1 1 d R . .
O4W O 0.7308(3) 0.98638(13) 0.7637(2) 0.0338(7) Uani 1 1 d . . .
H4X H 0.7813 0.9584 0.7647 0.041 Uiso 1 1 d R . .
H4Y H 0.7290 1.0087 0.7148 0.041 Uiso 1 1 d R . .
O5W O 0.8106(3) 0.67734(13) 0.7752(2) 0.0381(7) Uani 1 1 d . . .
H5X H 0.8718 0.6939 0.7623 0.046 Uiso 1 1 d R . .
H5Y H 0.7474 0.6587 0.7288 0.046 Uiso 1 1 d R . .
O6W O 0.9835(3) 0.59582(14) 0.7776(2) 0.0402(8) Uani 1 1 d . . .
H6X H 0.9621 0.5592 0.7746 0.048 Uiso 1 1 d R . .
H6Y H 1.0154 0.6038 0.7305 0.048 Uiso 1 1 d R . .
O7W O 0.0497(3) 0.99414(13) 0.8421(2) 0.0373(7) Uani 1 1 d . . .
H7X H 0.0683 1.0138 0.8946 0.045 Uiso 1 1 d R . .
H7Y H -0.0138 0.9743 0.8409 0.045 Uiso 1 1 d R . .
O8W O 0.8455(3) 0.49824(13) 0.4486(2) 0.0360(7) Uani 1 1 d . . .
H8X H 0.8035 0.5244 0.4693 0.043 Uiso 1 1 d R . .
H8Y H 0.8093 0.4867 0.3926 0.043 Uiso 1 1 d 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
C1 C2 1.365(6) . ?
C1 C6 1.375(6) . ?
C1 C7 1.509(6) . ?
C2 C3 1.397(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(6) . ?
C3 C10 1.496(6) . ?
C4 C5 1.394(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.402(6) . ?
C5 C13 1.493(6) . ?
C6 H6 0.9300 . ?
C7 O1 1.225(5) . ?
C7 N1 1.313(5) . ?
C8 N1 1.487(5) . ?
C8 C9 1.518(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O2 1.241(5) . ?
C9 O3 1.268(5) . ?
C10 O4 1.205(5) . ?
C10 N2 1.307(5) . ?
C11 N2 1.442(6) . ?
C11 C12 1.537(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 O5 1.242(5) . ?
C12 O6 1.244(5) . ?
C13 O7 1.259(5) . ?
C13 N3 1.328(6) . ?
C14 N3 1.445(5) . ?
C14 C15 1.515(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 O8 1.258(5) . ?
C15 O9 1.264(5) . ?
C16 N4 1.338(6) . ?
C16 C17 1.374(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.390(6) . ?
C18 C18 1.462(9) 3_767 ?
C19 C20 1.389(6) . ?
C19 H19 0.9300 . ?
C20 N4 1.333(5) . ?
C20 H20 0.9300 . ?
C21 N5 1.341(6) . ?
C21 C22 1.378(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.407(6) . ?
C23 C26 1.463(6) . ?
C24 C25 1.368(6) . ?
C24 H24 0.9300 . ?
C25 N5 1.346(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.361(6) . ?
C26 C30 1.370(6) . ?
C27 C28 1.371(6) . ?
C27 H27 0.9300 . ?
C28 N6 1.320(6) . ?
C28 H28 0.9300 . ?
C29 N6 1.303(5) . ?
C29 C30 1.366(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
Co1 O1W 2.097(3) . ?
Co1 O1W 2.097(3) 3_667 ?
Co1 O9 2.111(3) 3_667 ?
Co1 O9 2.111(3) . ?
Co1 N4 2.178(4) 3_667 ?
Co1 N4 2.178(4) . ?
Co1 H1Y 2.0588 . ?
Co2 O5 2.031(3) 2_556 ?
Co2 O2W 2.101(3) . ?
Co2 O3W 2.105(3) . ?
Co2 O3 2.135(3) . ?
Co2 N5 2.164(4) . ?
Co2 N6 2.218(4) 1_455 ?
N1 H1A 0.8999 . ?
N2 H2B 0.9001 . ?
N3 H3A 0.8598 . ?
N6 Co2 2.218(4) 1_655 ?
O5 Co2 2.031(3) 2_546 ?
O1W H1X 0.8502 . ?
O1W H1Y 0.8500 . ?
O2W H2X 0.8498 . ?
O2W H2Y 0.8500 . ?
O3W H3X 0.8494 . ?
O3W H3Y 0.8499 . ?
O4W H4X 0.8499 . ?
O4W H4Y 0.8500 . ?
O5W H5X 0.8500 . ?
O5W H5Y 0.9600 . ?
O6W H6X 0.8501 . ?
O6W H6Y 0.8500 . ?
O7W H7X 0.8500 . ?
O7W H7Y 0.8501 . ?
O8W H8X 0.8499 . ?
O8W H8Y 0.8501 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 119.8(4) . . ?
C2 C1 C7 121.6(4) . . ?
C6 C1 C7 118.6(4) . . ?
C1 C2 C3 121.0(4) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 C10 125.4(4) . . ?
C2 C3 C10 115.3(4) . . ?
C3 C4 C5 120.5(4) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 118.6(4) . . ?
C4 C5 C13 118.1(4) . . ?
C6 C5 C13 123.2(4) . . ?
C1 C6 C5 120.8(4) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
O1 C7 N1 124.9(4) . . ?
O1 C7 C1 121.4(4) . . ?
N1 C7 C1 113.6(4) . . ?
N1 C8 C9 113.4(4) . . ?
N1 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
O2 C9 O3 126.0(4) . . ?
O2 C9 C8 119.2(4) . . ?
O3 C9 C8 114.8(4) . . ?
O4 C10 N2 121.9(4) . . ?
O4 C10 C3 119.3(4) . . ?
N2 C10 C3 118.6(4) . . ?
N2 C11 C12 111.5(4) . . ?
N2 C11 H11A 109.3 . . ?
C12 C11 H11A 109.3 . . ?
N2 C11 H11B 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
O5 C12 O6 126.4(4) . . ?
O5 C12 C11 116.5(4) . . ?
O6 C12 C11 117.1(4) . . ?
O7 C13 N3 121.1(4) . . ?
O7 C13 C5 120.5(4) . . ?
N3 C13 C5 118.4(4) . . ?
N3 C14 C15 115.7(3) . . ?
N3 C14 H14A 108.3 . . ?
C15 C14 H14A 108.3 . . ?
N3 C14 H14B 108.3 . . ?
C15 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
O8 C15 O9 124.8(4) . . ?
O8 C15 C14 119.4(4) . . ?
O9 C15 C14 115.8(4) . . ?
N4 C16 C17 124.6(4) . . ?
N4 C16 H16 117.7 . . ?
C17 C16 H16 117.7 . . ?
C16 C17 C18 121.2(4) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C17 C18 C19 114.8(4) . . ?
C17 C18 C18 123.4(5) . 3_767 ?
C19 C18 C18 121.8(5) . 3_767 ?
C20 C19 C18 120.6(4) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
N4 C20 C19 124.2(4) . . ?
N4 C20 H20 117.9 . . ?
C19 C20 H20 117.9 . . ?
N5 C21 C22 123.0(4) . . ?
N5 C21 H21 118.5 . . ?
C22 C21 H21 118.5 . . ?
C21 C22 C23 121.9(4) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C22 C23 C24 114.9(4) . . ?
C22 C23 C26 123.4(4) . . ?
C24 C23 C26 121.7(4) . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
N5 C25 C24 124.7(4) . . ?
N5 C25 H25 117.6 . . ?
C24 C25 H25 117.6 . . ?
C27 C26 C30 113.8(4) . . ?
C27 C26 C23 124.7(4) . . ?
C30 C26 C23 121.5(4) . . ?
C26 C27 C28 121.3(4) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
N6 C28 C27 124.2(4) . . ?
N6 C28 H28 117.9 . . ?
C27 C28 H28 117.9 . . ?
N6 C29 C30 124.5(4) . . ?
N6 C29 H29 117.7 . . ?
C30 C29 H29 117.7 . . ?
C29 C30 C26 121.5(4) . . ?
C29 C30 H30 119.2 . . ?
C26 C30 H30 119.2 . . ?
O1W Co1 O1W 180.00(9) . 3_667 ?
O1W Co1 O9 88.21(11) . 3_667 ?
O1W Co1 O9 91.79(11) 3_667 3_667 ?
O1W Co1 O9 91.79(11) . . ?
O1W Co1 O9 88.21(11) 3_667 . ?
O9 Co1 O9 180.000(1) 3_667 . ?
O1W Co1 N4 91.11(13) . 3_667 ?
O1W Co1 N4 88.89(13) 3_667 3_667 ?
O9 Co1 N4 91.31(13) 3_667 3_667 ?
O9 Co1 N4 88.69(13) . 3_667 ?
O1W Co1 N4 88.89(13) . . ?
O1W Co1 N4 91.11(13) 3_667 . ?
O9 Co1 N4 88.69(13) 3_667 . ?
O9 Co1 N4 91.31(13) . . ?
N4 Co1 N4 180.0 3_667 . ?
O1W Co1 H1Y 23.6 . . ?
O1W Co1 H1Y 156.4 3_667 . ?
O9 Co1 H1Y 67.0 3_667 . ?
O9 Co1 H1Y 113.0 . . ?
N4 Co1 H1Y 81.6 3_667 . ?
N4 Co1 H1Y 98.4 . . ?
O5 Co2 O2W 85.28(12) 2_556 . ?
O5 Co2 O3W 171.58(13) 2_556 . ?
O2W Co2 O3W 91.82(12) . . ?
O5 Co2 O3 95.05(12) 2_556 . ?
O2W Co2 O3 178.67(12) . . ?
O3W Co2 O3 88.03(12) . . ?
O5 Co2 N5 95.22(14) 2_556 . ?
O2W Co2 N5 88.58(12) . . ?
O3W Co2 N5 92.61(13) . . ?
O3 Co2 N5 90.11(12) . . ?
O5 Co2 N6 83.67(13) 2_556 1_455 ?
O2W Co2 N6 88.01(13) . 1_455 ?
O3W Co2 N6 88.33(13) . 1_455 ?
O3 Co2 N6 93.31(12) . 1_455 ?
N5 Co2 N6 176.49(14) . 1_455 ?
C7 N1 C8 122.3(4) . . ?
C7 N1 H1A 106.4 . . ?
C8 N1 H1A 106.3 . . ?
C10 N2 C11 121.5(4) . . ?
C10 N2 H2B 106.3 . . ?
C11 N2 H2B 106.3 . . ?
C13 N3 C14 121.8(4) . . ?
C13 N3 H3A 119.2 . . ?
C14 N3 H3A 119.0 . . ?
C20 N4 C16 114.7(4) . . ?
C20 N4 Co1 121.5(3) . . ?
C16 N4 Co1 123.5(3) . . ?
C21 N5 C25 115.5(4) . . ?
C21 N5 Co2 121.8(3) . . ?
C25 N5 Co2 122.7(3) . . ?
C29 N6 C28 114.6(4) . . ?
C29 N6 Co2 122.5(3) . 1_655 ?
C28 N6 Co2 123.0(3) . 1_655 ?
C9 O3 Co2 131.7(3) . . ?
C12 O5 Co2 139.8(3) . 2_546 ?
C15 O9 Co1 130.1(3) . . ?
Co1 O1W H1X 97.2 . . ?
Co1 O1W H1Y 75.7 . . ?
H1X O1W H1Y 109.5 . . ?
Co2 O2W H2X 109.7 . . ?
Co2 O2W H2Y 108.9 . . ?
H2X O2W H2Y 109.8 . . ?
Co2 O3W H3X 98.3 . . ?
Co2 O3W H3Y 147.9 . . ?
H3X O3W H3Y 109.5 . . ?
H4X O4W H4Y 109.5 . . ?
H5X O5W H5Y 125.3 . . ?
H6X O6W H6Y 109.5 . . ?
H7X O7W H7Y 109.5 . . ?
H8X O8W H8Y 109.5 . . ?

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
C6 C1 C2 C3 5.1(6) . . . . ?
C7 C1 C2 C3 -174.0(4) . . . . ?
C1 C2 C3 C4 -2.5(6) . . . . ?
C1 C2 C3 C10 172.4(4) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C10 C3 C4 C5 -175.5(4) . . . . ?
C3 C4 C5 C6 2.0(6) . . . . ?
C3 C4 C5 C13 179.6(4) . . . . ?
C2 C1 C6 C5 -4.2(6) . . . . ?
C7 C1 C6 C5 175.0(4) . . . . ?
C4 C5 C6 C1 0.6(6) . . . . ?
C13 C5 C6 C1 -176.8(4) . . . . ?
C2 C1 C7 O1 -159.5(4) . . . . ?
C6 C1 C7 O1 21.4(6) . . . . ?
C2 C1 C7 N1 22.1(6) . . . . ?
C6 C1 C7 N1 -157.0(4) . . . . ?
N1 C8 C9 O2 27.9(6) . . . . ?
N1 C8 C9 O3 -153.7(4) . . . . ?
C4 C3 C10 O4 169.0(4) . . . . ?
C2 C3 C10 O4 -5.5(6) . . . . ?
C4 C3 C10 N2 -6.6(6) . . . . ?
C2 C3 C10 N2 178.9(4) . . . . ?
N2 C11 C12 O5 -34.7(5) . . . . ?
N2 C11 C12 O6 148.3(4) . . . . ?
C4 C5 C13 O7 -22.3(6) . . . . ?
C6 C5 C13 O7 155.1(4) . . . . ?
C4 C5 C13 N3 157.9(4) . . . . ?
C6 C5 C13 N3 -24.7(6) . . . . ?
N3 C14 C15 O8 -22.0(6) . . . . ?
N3 C14 C15 O9 158.1(4) . . . . ?
N4 C16 C17 C18 -0.1(7) . . . . ?
C16 C17 C18 C19 0.0(7) . . . . ?
C16 C17 C18 C18 -179.2(5) . . . 3_767 ?
C17 C18 C19 C20 0.0(6) . . . . ?
C18 C18 C19 C20 179.3(5) 3_767 . . . ?
C18 C19 C20 N4 0.0(7) . . . . ?
N5 C21 C22 C23 0.3(7) . . . . ?
C21 C22 C23 C24 -1.5(6) . . . . ?
C21 C22 C23 C26 177.9(4) . . . . ?
C22 C23 C24 C25 1.7(6) . . . . ?
C26 C23 C24 C25 -177.7(4) . . . . ?
C23 C24 C25 N5 -0.7(7) . . . . ?
C22 C23 C26 C27 22.1(7) . . . . ?
C24 C23 C26 C27 -158.6(4) . . . . ?
C22 C23 C26 C30 -158.0(4) . . . . ?
C24 C23 C26 C30 21.3(7) . . . . ?
C30 C26 C27 C28 -0.2(7) . . . . ?
C23 C26 C27 C28 179.8(4) . . . . ?
C26 C27 C28 N6 -1.0(7) . . . . ?
N6 C29 C30 C26 1.6(8) . . . . ?
C27 C26 C30 C29 0.0(7) . . . . ?
C23 C26 C30 C29 180.0(4) . . . . ?
O1 C7 N1 C8 2.7(7) . . . . ?
C1 C7 N1 C8 -179.0(3) . . . . ?
C9 C8 N1 C7 -126.6(4) . . . . ?
O4 C10 N2 C11 -2.2(6) . . . . ?
C3 C10 N2 C11 173.3(4) . . . . ?
C12 C11 N2 C10 147.1(4) . . . . ?
O7 C13 N3 C14 1.6(6) . . . . ?
C5 C13 N3 C14 -178.6(4) . . . . ?
C15 C14 N3 C13 -72.7(5) . . . . ?
C19 C20 N4 C16 0.0(6) . . . . ?
C19 C20 N4 Co1 -174.9(3) . . . . ?
C17 C16 N4 C20 0.1(6) . . . . ?
C17 C16 N4 Co1 174.8(3) . . . . ?
O1W Co1 N4 C20 132.6(3) . . . . ?
O1W Co1 N4 C20 -47.4(3) 3_667 . . . ?
O9 Co1 N4 C20 44.4(3) 3_667 . . . ?
O9 Co1 N4 C20 -135.6(3) . . . . ?
O1W Co1 N4 C16 -41.7(3) . . . . ?
O1W Co1 N4 C16 138.3(3) 3_667 . . . ?
O9 Co1 N4 C16 -130.0(4) 3_667 . . . ?
O9 Co1 N4 C16 50.0(4) . . . . ?
C22 C21 N5 C25 0.7(6) . . . . ?
C22 C21 N5 Co2 -178.8(3) . . . . ?
C24 C25 N5 C21 -0.5(6) . . . . ?
C24 C25 N5 Co2 179.0(3) . . . . ?
O5 Co2 N5 C21 34.3(3) 2_556 . . . ?
O2W Co2 N5 C21 -50.8(3) . . . . ?
O3W Co2 N5 C21 -142.6(3) . . . . ?
O3 Co2 N5 C21 129.4(3) . . . . ?
O5 Co2 N5 C25 -145.2(3) 2_556 . . . ?
O2W Co2 N5 C25 129.7(3) . . . . ?
O3W Co2 N5 C25 38.0(3) . . . . ?
O3 Co2 N5 C25 -50.1(3) . . . . ?
C30 C29 N6 C28 -2.6(7) . . . . ?
C30 C29 N6 Co2 178.0(4) . . . 1_655 ?
C27 C28 N6 C29 2.4(6) . . . . ?
C27 C28 N6 Co2 -178.3(3) . . . 1_655 ?
O2 C9 O3 Co2 0.7(7) . . . . ?
C8 C9 O3 Co2 -177.6(3) . . . . ?
O5 Co2 O3 C9 -162.6(4) 2_556 . . . ?
O3W Co2 O3 C9 9.6(4) . . . . ?
N5 Co2 O3 C9 102.2(4) . . . . ?
N6 Co2 O3 C9 -78.6(4) 1_455 . . . ?
O6 C12 O5 Co2 -23.7(8) . . . 2_546 ?
C11 C12 O5 Co2 159.7(3) . . . 2_546 ?
O8 C15 O9 Co1 5.8(7) . . . . ?
C14 C15 O9 Co1 -174.3(3) . . . . ?
O1W Co1 O9 C15 -1.1(4) . . . . ?
O1W Co1 O9 C15 178.9(4) 3_667 . . . ?
N4 Co1 O9 C15 90.0(4) 3_667 . . . ?
N4 Co1 O9 C15 -90.0(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1A O2 0.90 2.29 2.791(4) 115 .
N1 H1A O7W 0.90 2.52 3.023(5) 116 .
N2 H2B O5 0.90 2.22 2.727(4) 116 .
N3 H3A O6 0.86 2.01 2.827(5) 158 1_655
O4W H4X O4 0.85 1.88 2.709(4) 163.0 1_655
O1W H1X O8 0.85 2.19 2.669(4) 115 .
O3W H3X O2 0.85 1.94 2.668(4) 144 .
O7W H7Y O4 0.85 2.40 3.029(4) 131 .
O1W H1Y O1 0.85 2.24 2.733(4) 117 4_576
O2W H2X O8 0.85 2.02 2.711(4) 138.0 3_677
O2W H2Y O6 0.85 1.90 2.656(4) 147 3_577
O3W H3Y O1 0.85 2.02 2.820(4) 157.0 3_677
O4W H4Y O9 0.85 2.37 2.891(4) 121 2_656
O7W H7X O8W 0.85 2.25 2.949(4) 139 2_656
O5W H5X N2 0.85 2.59 2.992(5) 110 1_655
O5W H5Y O3 0.96 2.03 2.986(4) 173 2_646
O6W H6X O7W 0.85 2.18 2.806(4) 130 2_646
O8W H8X O2 0.85 2.30 3.002(4) 140 2_646
O7W H7Y O8W 0.85 2.53 3.066(4) 122 4_476
O8W H8Y O4W 0.85 1.95 2.683(4) 144 4_575

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.081

# Attachment '735372.cif'

data_complex2
_database_code_depnum_ccdc_archive 'CCDC 735372'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H68 Co3 N12 O22'
_chemical_formula_sum            'C66 H68 Co3 N12 O22'
_chemical_formula_weight         1558.11

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           Orthorhombic
_symmetry_space_group_name_H-M   'Iba2 '
_symmetry_space_group_name_Hall  'I 2 -2c '

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

_cell_length_a                   33.993(4)
_cell_length_b                   13.6318(14)
_cell_length_c                   15.4608(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7164.3(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    3517
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      23.29

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3220
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(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            19009
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.32
_diffrn_reflns_theta_max         25.99
_reflns_number_total             6158
_reflns_number_gt                4756
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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)+(0.0558P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.053(17)
_refine_ls_number_reflns         6158
_refine_ls_number_parameters     465
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0560
_refine_ls_wR_factor_ref         0.1159
_refine_ls_wR_factor_gt          0.1134
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.11517(14) 0.3259(4) 0.2393(3) 0.0321(11) Uani 1 1 d . . .
C2 C 0.15678(13) 0.3286(4) 0.2444(3) 0.0342(11) Uani 1 1 d . . .
H2 H 0.1714 0.2714 0.2501 0.041 Uiso 1 1 calc R . .
C3 C 0.17503(13) 0.4209(4) 0.2405(3) 0.0358(11) Uani 1 1 d . . .
C4 C 0.15288(12) 0.5078(4) 0.2276(3) 0.0335(11) Uani 1 1 d . . .
H4 H 0.1657 0.5679 0.2233 0.040 Uiso 1 1 calc R . .
C5 C 0.11182(13) 0.5034(5) 0.2213(4) 0.0485(14) Uani 1 1 d . . .
C6 C 0.09285(15) 0.4119(4) 0.2258(3) 0.0317(11) Uani 1 1 d . . .
H6 H 0.0657 0.4080 0.2199 0.038 Uiso 1 1 calc R . .
C7 C 0.09438(15) 0.2292(4) 0.2422(3) 0.0379(12) Uani 1 1 d . . .
C8 C 0.09667(12) 0.0548(3) 0.2763(3) 0.0292(10) Uani 1 1 d . . .
H8A H 0.1167 0.0043 0.2744 0.035 Uiso 1 1 calc R . .
H8B H 0.0785 0.0429 0.2290 0.035 Uiso 1 1 calc R . .
C9 C 0.07458(13) 0.0467(3) 0.3608(3) 0.0290(10) Uani 1 1 d . . .
C10 C 0.21839(13) 0.4236(4) 0.2517(3) 0.0337(11) Uani 1 1 d . . .
C11 C 0.27784(14) 0.5189(4) 0.2627(4) 0.0378(11) Uani 1 1 d . . .
H11A H 0.2891 0.5631 0.2202 0.045 Uiso 1 1 calc R . .
H11B H 0.2909 0.4560 0.2567 0.045 Uiso 1 1 calc R . .
C12 C 0.28602(15) 0.5583(4) 0.3506(4) 0.0393(12) Uani 1 1 d . . .
C13 C 0.08800(17) 0.5946(4) 0.2053(4) 0.0465(14) Uani 1 1 d . . .
C14 C 0.08879(15) 0.7751(4) 0.1950(4) 0.0427(14) Uani 1 1 d . . .
H14A H 0.0790 0.8138 0.2431 0.051 Uiso 1 1 calc R . .
H14B H 0.0676 0.7669 0.1537 0.051 Uiso 1 1 calc R . .
C15 C 0.12377(14) 0.8283(4) 0.1518(3) 0.0368(11) Uani 1 1 d . . .
C16 C 0.11555(13) 0.2946(4) 0.4710(4) 0.0415(12) Uani 1 1 d . . .
H16 H 0.0915 0.2627 0.4759 0.050 Uiso 1 1 calc R . .
C17 C 0.11547(17) 0.3915(4) 0.4661(4) 0.0487(14) Uani 1 1 d . . .
H17 H 0.0917 0.4251 0.4687 0.058 Uiso 1 1 calc R . .
C18 C 0.15139(18) 0.4455(4) 0.4568(4) 0.0523(15) Uani 1 1 d . . .
C19 C 0.18465(16) 0.3905(4) 0.4572(4) 0.0465(13) Uani 1 1 d . . .
H19 H 0.2090 0.4212 0.4537 0.056 Uiso 1 1 calc R . .
C20 C 0.18275(15) 0.2885(4) 0.4628(4) 0.0430(12) Uani 1 1 d . . .
H20 H 0.2060 0.2524 0.4619 0.052 Uiso 1 1 calc R . .
C21 C 0.18429(16) -0.1254(4) 0.4935(4) 0.0459(13) Uani 1 1 d . . .
H21 H 0.2076 -0.0908 0.4862 0.055 Uiso 1 1 calc R . .
C22 C 0.18610(17) -0.2232(4) 0.5022(4) 0.0514(15) Uani 1 1 d . . .
H22 H 0.2108 -0.2523 0.5055 0.062 Uiso 1 1 calc R . .
C23 C 0.15291(16) -0.2840(4) 0.5065(3) 0.0442(13) Uani 1 1 d . . .
C24 C 0.11643(15) -0.2305(4) 0.5029(3) 0.0454(13) Uani 1 1 d . . .
H24 H 0.0924 -0.2624 0.5089 0.054 Uiso 1 1 calc R . .
C25 C 0.11800(16) -0.1370(4) 0.4911(4) 0.0583(17) Uani 1 1 d . . .
H25 H 0.0941 -0.1074 0.4780 0.070 Uiso 1 1 calc R . .
C26 C 0.15179(17) 0.5529(4) 0.4394(4) 0.0541(16) Uani 1 1 d . . .
H26A H 0.1739 0.5687 0.4023 0.065 Uiso 1 1 calc R . .
H26B H 0.1279 0.5712 0.4091 0.065 Uiso 1 1 calc R . .
C27 C 0.1547(2) -0.3913(5) 0.5189(4) 0.0531(15) Uani 1 1 d . . .
H27A H 0.1793 -0.4075 0.5472 0.064 Uiso 1 1 calc R . .
H27B H 0.1335 -0.4109 0.5572 0.064 Uiso 1 1 calc R . .
C28 C -0.00857(15) 0.2071(4) 0.3834(3) 0.0354(12) Uani 1 1 d . . .
H28 H -0.0062 0.1717 0.3323 0.042 Uiso 1 1 calc R . .
C29 C -0.01174(16) 0.3053(4) 0.3787(3) 0.0364(12) Uani 1 1 d . . .
H29 H -0.0125 0.3351 0.3247 0.044 Uiso 1 1 calc R . .
C30 C -0.01394(16) 0.3633(4) 0.4523(4) 0.0439(13) Uani 1 1 d . . .
C31 C -0.00999(15) 0.3154(4) 0.5315(4) 0.0400(13) Uani 1 1 d . . .
H31 H -0.0078 0.3503 0.5830 0.048 Uiso 1 1 calc R . .
C32 C -0.00938(15) 0.2126(4) 0.5309(4) 0.0400(12) Uani 1 1 d . . .
H32 H -0.0095 0.1803 0.5839 0.048 Uiso 1 1 calc R . .
C33 C -0.01971(15) 0.4704(4) 0.4487(4) 0.0450(13) Uani 1 1 d . . .
H33A H -0.0354 0.4905 0.4981 0.054 Uiso 1 1 calc R . .
H33B H -0.0344 0.4865 0.3968 0.054 Uiso 1 1 calc R . .
Co1 Co 0.147157(16) 0.08391(4) 0.48234(4) 0.03038(16) Uani 1 1 d . . .
Co2 Co 0.0000 0.0000 0.46026(6) 0.02536(19) Uani 1 2 d S . .
N1 N 0.11488(11) 0.1481(3) 0.2640(3) 0.0320(9) Uani 1 1 d . . .
H1 H 0.1399 0.1528 0.2708 0.038 Uiso 1 1 calc R . .
N2 N 0.23646(12) 0.5064(4) 0.2439(3) 0.0450(12) Uani 1 1 d . . .
H2A H 0.2233 0.5566 0.2267 0.054 Uiso 1 1 calc R . .
N3 N 0.10208(12) 0.6784(3) 0.2262(3) 0.0336(10) Uani 1 1 d . . .
H3 H 0.1214 0.6783 0.2622 0.040 Uiso 1 1 calc R . .
N4 N 0.14784(11) 0.2406(3) 0.4694(3) 0.0386(10) Uani 1 1 d . . .
N5 N 0.14962(16) -0.0743(3) 0.4949(5) 0.0576(15) Uani 1 1 d . . .
N6 N -0.00871(10) 0.1578(3) 0.4591(3) 0.0367(9) Uani 1 1 d . . .
O1 O 0.05888(10) 0.2272(3) 0.2241(2) 0.0377(8) Uani 1 1 d . . .
O2 O 0.09085(9) 0.0784(2) 0.4252(2) 0.0343(8) Uani 1 1 d . . .
O3 O 0.04166(10) 0.0077(2) 0.3595(2) 0.0304(8) Uani 1 1 d . . .
O4 O 0.23553(10) 0.3465(3) 0.2690(3) 0.0458(9) Uani 1 1 d . . .
O5 O 0.25859(10) 0.5683(3) 0.4043(3) 0.0486(10) Uani 1 1 d . . .
O6 O 0.17777(9) 0.0773(3) 0.3656(2) 0.0376(8) Uani 1 1 d . . .
O7 O 0.05444(11) 0.5859(3) 0.1737(2) 0.0496(10) Uani 1 1 d . . .
O8 O 0.15640(10) 0.8095(3) 0.1738(2) 0.0407(9) Uani 1 1 d . . .
O9 O 0.11339(9) 0.8903(2) 0.0959(2) 0.0338(8) Uani 1 1 d . . .
O1W O 0.20088(10) 0.0815(3) 0.5524(2) 0.0439(9) Uani 1 1 d . . .
H1X H 0.2044 0.1400 0.5700 0.053 Uiso 1 1 d R . .
H1Y H 0.2230 0.0626 0.5328 0.053 Uiso 1 1 d R . .
O2W O 0.03929(10) 0.0209(3) 0.5644(2) 0.0339(8) Uani 1 1 d . . .
H2X H 0.0614 0.0036 0.5437 0.041 Uiso 1 1 d R . .
H2Y H 0.0410 0.0822 0.5735 0.041 Uiso 1 1 d 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
C1 C6 1.412(7) . ?
C1 C2 1.417(6) . ?
C1 C7 1.496(7) . ?
C2 C3 1.404(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.417(7) . ?
C3 C10 1.485(6) . ?
C4 C5 1.401(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.406(8) . ?
C5 C13 1.504(9) . ?
C6 H6 0.9300 . ?
C7 O1 1.239(6) . ?
C7 N1 1.350(7) . ?
C8 N1 1.427(6) . ?
C8 C9 1.511(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O2 1.219(6) . ?
C9 O3 1.239(5) . ?
C10 O4 1.232(6) . ?
C10 N2 1.291(7) . ?
C11 N2 1.447(6) . ?
C11 C12 1.487(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 O5 1.256(6) . ?
C12 O6 1.279(6) 4 ?
C13 O7 1.246(6) . ?
C13 N3 1.281(7) . ?
C14 N3 1.474(6) . ?
C14 C15 1.545(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 O8 1.188(6) . ?
C15 O9 1.259(6) . ?
C16 N4 1.322(6) . ?
C16 C17 1.323(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.433(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.357(8) . ?
C18 C26 1.489(8) . ?
C19 C20 1.394(7) . ?
C19 H19 0.9300 . ?
C20 N4 1.358(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.341(7) . ?
C21 N5 1.369(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.402(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.440(7) . ?
C23 C27 1.475(8) . ?
C24 C25 1.288(8) . ?
C24 H24 0.9300 . ?
C25 N5 1.374(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.450(8) 1_565 ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C26 1.450(8) 1_545 ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.345(7) . ?
C28 N6 1.350(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.395(8) . ?
C30 C33 1.474(7) . ?
C31 C32 1.401(8) . ?
C31 H31 0.9300 . ?
C32 N6 1.338(7) . ?
C32 H32 0.9300 . ?
C33 C33 1.564(10) 2_565 ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
Co1 O6 2.085(3) . ?
Co1 O2 2.109(3) . ?
Co1 O1W 2.123(4) . ?
Co1 O9 2.127(3) 7_455 ?
Co1 N4 2.146(4) . ?
Co1 N5 2.167(5) . ?
Co2 O3 2.107(3) 2 ?
Co2 O3 2.107(3) . ?
Co2 O2W 2.111(3) . ?
Co2 O2W 2.111(3) 2 ?
Co2 N6 2.171(4) 2 ?
Co2 N6 2.171(4) . ?
N1 H1 0.8600 . ?
N2 H2A 0.8600 . ?
N3 H3 0.8600 . ?
O6 C12 1.279(6) 4_545 ?
O9 Co1 2.127(3) 7_454 ?
O1W H1X 0.8499 . ?
O1W H1Y 0.8500 . ?
O2W H2X 0.8499 . ?
O2W H2Y 0.8500 . ?

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
C6 C1 C2 121.5(5) . . ?
C6 C1 C7 118.8(4) . . ?
C2 C1 C7 119.5(5) . . ?
C3 C2 C1 117.5(5) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C2 C3 C4 121.4(4) . . ?
C2 C3 C10 117.1(4) . . ?
C4 C3 C10 121.5(4) . . ?
C5 C4 C3 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.4(6) . . ?
C4 C5 C13 120.9(6) . . ?
C6 C5 C13 119.6(4) . . ?
C5 C6 C1 119.8(5) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
O1 C7 N1 122.8(5) . . ?
O1 C7 C1 118.2(5) . . ?
N1 C7 C1 119.0(4) . . ?
N1 C8 C9 113.3(4) . . ?
N1 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
O2 C9 O3 125.1(4) . . ?
O2 C9 C8 117.0(4) . . ?
O3 C9 C8 117.8(4) . . ?
O4 C10 N2 122.8(4) . . ?
O4 C10 C3 118.2(4) . . ?
N2 C10 C3 118.9(5) . . ?
N2 C11 C12 114.1(5) . . ?
N2 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
N2 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
O5 C12 O6 124.9(5) . 4 ?
O5 C12 C11 120.3(4) . . ?
O6 C12 C11 114.8(5) 4 . ?
O7 C13 N3 121.7(5) . . ?
O7 C13 C5 118.6(5) . . ?
N3 C13 C5 119.7(5) . . ?
N3 C14 C15 109.0(4) . . ?
N3 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
N3 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
O8 C15 O9 127.1(5) . . ?
O8 C15 C14 119.5(5) . . ?
O9 C15 C14 113.3(4) . . ?
N4 C16 C17 123.8(5) . . ?
N4 C16 H16 118.1 . . ?
C17 C16 H16 118.1 . . ?
C16 C17 C18 121.1(5) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C19 C18 C17 115.2(5) . . ?
C19 C18 C26 122.5(5) . . ?
C17 C18 C26 122.1(5) . . ?
C18 C19 C20 120.8(5) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
N4 C20 C19 121.6(5) . . ?
N4 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C22 C21 N5 122.9(5) . . ?
C22 C21 H21 118.5 . . ?
N5 C21 H21 118.5 . . ?
C21 C22 C23 123.8(5) . . ?
C21 C22 H22 118.1 . . ?
C23 C22 H22 118.1 . . ?
C22 C23 C24 113.0(5) . . ?
C22 C23 C27 124.0(5) . . ?
C24 C23 C27 122.9(5) . . ?
C25 C24 C23 118.1(5) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C24 C25 N5 129.9(5) . . ?
C24 C25 H25 115.1 . . ?
N5 C25 H25 115.1 . . ?
C27 C26 C18 111.3(5) 1_565 . ?
C27 C26 H26A 109.4 1_565 . ?
C18 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 1_565 . ?
C18 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C23 114.0(5) 1_545 . ?
C26 C27 H27A 108.8 1_545 . ?
C23 C27 H27A 108.8 . . ?
C26 C27 H27B 108.8 1_545 . ?
C23 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C29 C28 N6 122.8(5) . . ?
C29 C28 H28 118.6 . . ?
N6 C28 H28 118.6 . . ?
C28 C29 C30 121.9(5) . . ?
C28 C29 H29 119.1 . . ?
C30 C29 H29 119.1 . . ?
C29 C30 C31 116.6(4) . . ?
C29 C30 C33 122.7(5) . . ?
C31 C30 C33 120.7(5) . . ?
C30 C31 C32 117.6(5) . . ?
C30 C31 H31 121.2 . . ?
C32 C31 H31 121.2 . . ?
N6 C32 C31 124.4(5) . . ?
N6 C32 H32 117.8 . . ?
C31 C32 H32 117.8 . . ?
C30 C33 C33 113.4(5) . 2_565 ?
C30 C33 H33A 108.9 . . ?
C33 C33 H33A 108.9 2_565 . ?
C30 C33 H33B 108.9 . . ?
C33 C33 H33B 108.9 2_565 . ?
H33A C33 H33B 107.7 . . ?
O6 Co1 O2 95.11(14) . . ?
O6 Co1 O1W 90.66(15) . . ?
O2 Co1 O1W 173.42(14) . . ?
O6 Co1 O9 172.27(13) . 7_455 ?
O2 Co1 O9 82.07(13) . 7_455 ?
O1W Co1 O9 92.59(14) . 7_455 ?
O6 Co1 N4 87.55(16) . . ?
O2 Co1 N4 90.35(14) . . ?
O1W Co1 N4 93.05(15) . . ?
O9 Co1 N4 85.28(15) 7_455 . ?
O6 Co1 N5 90.9(2) . . ?
O2 Co1 N5 92.14(18) . . ?
O1W Co1 N5 84.60(19) . . ?
O9 Co1 N5 96.39(19) 7_455 . ?
N4 Co1 N5 177.17(18) . . ?
O3 Co2 O3 84.7(2) 2 . ?
O3 Co2 O2W 174.45(15) 2 . ?
O3 Co2 O2W 97.56(12) . . ?
O3 Co2 O2W 97.56(12) 2 2 ?
O3 Co2 O2W 174.45(15) . 2 ?
O2W Co2 O2W 80.62(19) . 2 ?
O3 Co2 N6 92.10(15) 2 2 ?
O3 Co2 N6 87.22(14) . 2 ?
O2W Co2 N6 93.06(16) . 2 ?
O2W Co2 N6 87.64(15) 2 2 ?
O3 Co2 N6 87.22(14) 2 . ?
O3 Co2 N6 92.10(15) . . ?
O2W Co2 N6 87.64(15) . . ?
O2W Co2 N6 93.06(16) 2 . ?
N6 Co2 N6 179.1(3) 2 . ?
C7 N1 C8 122.7(4) . . ?
C7 N1 H1 118.7 . . ?
C8 N1 H1 118.7 . . ?
C10 N2 C11 123.2(5) . . ?
C10 N2 H2A 118.4 . . ?
C11 N2 H2A 118.4 . . ?
C13 N3 C14 127.0(5) . . ?
C13 N3 H3 116.5 . . ?
C14 N3 H3 116.5 . . ?
C16 N4 C20 117.3(4) . . ?
C16 N4 Co1 122.9(3) . . ?
C20 N4 Co1 119.7(3) . . ?
C21 N5 C25 110.9(4) . . ?
C21 N5 Co1 122.5(4) . . ?
C25 N5 Co1 125.8(4) . . ?
C32 N6 C28 116.2(4) . . ?
C32 N6 Co2 123.3(4) . . ?
C28 N6 Co2 120.0(4) . . ?
C9 O2 Co1 140.1(3) . . ?
C9 O3 Co2 128.1(3) . . ?
C12 O6 Co1 130.3(4) 4_545 . ?
C15 O9 Co1 121.7(3) . 7_454 ?
Co1 O1W H1X 105.6 . . ?
Co1 O1W H1Y 125.6 . . ?
H1X O1W H1Y 106.0 . . ?
Co2 O2W H2X 103.5 . . ?
Co2 O2W H2Y 107.5 . . ?
H2X O2W H2Y 106.1 . . ?

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
C6 C1 C2 C3 3.6(7) . . . . ?
C7 C1 C2 C3 179.2(5) . . . . ?
C1 C2 C3 C4 -3.1(8) . . . . ?
C1 C2 C3 C10 176.0(5) . . . . ?
C2 C3 C4 C5 2.1(8) . . . . ?
C10 C3 C4 C5 -177.0(5) . . . . ?
C3 C4 C5 C6 -1.5(9) . . . . ?
C3 C4 C5 C13 -178.4(5) . . . . ?
C4 C5 C6 C1 2.0(9) . . . . ?
C13 C5 C6 C1 178.9(5) . . . . ?
C2 C1 C6 C5 -3.1(8) . . . . ?
C7 C1 C6 C5 -178.8(5) . . . . ?
C6 C1 C7 O1 7.0(7) . . . . ?
C2 C1 C7 O1 -168.8(5) . . . . ?
C6 C1 C7 N1 -173.1(4) . . . . ?
C2 C1 C7 N1 11.1(7) . . . . ?
N1 C8 C9 O2 -44.3(6) . . . . ?
N1 C8 C9 O3 136.3(4) . . . . ?
C2 C3 C10 O4 -4.4(7) . . . . ?
C4 C3 C10 O4 174.7(5) . . . . ?
C2 C3 C10 N2 176.3(5) . . . . ?
C4 C3 C10 N2 -4.6(8) . . . . ?
N2 C11 C12 O5 7.2(7) . . . . ?
N2 C11 C12 O6 -174.5(5) . . . 4 ?
C4 C5 C13 O7 157.8(6) . . . . ?
C6 C5 C13 O7 -19.1(9) . . . . ?
C4 C5 C13 N3 -23.9(9) . . . . ?
C6 C5 C13 N3 159.2(6) . . . . ?
N3 C14 C15 O8 -27.1(7) . . . . ?
N3 C14 C15 O9 154.2(5) . . . . ?
N4 C16 C17 C18 1.3(9) . . . . ?
C16 C17 C18 C19 -2.7(9) . . . . ?
C16 C17 C18 C26 171.7(6) . . . . ?
C17 C18 C19 C20 2.5(9) . . . . ?
C26 C18 C19 C20 -171.8(5) . . . . ?
C18 C19 C20 N4 -1.1(9) . . . . ?
N5 C21 C22 C23 5.4(10) . . . . ?
C21 C22 C23 C24 -1.5(8) . . . . ?
C21 C22 C23 C27 -177.9(6) . . . . ?
C22 C23 C24 C25 4.1(8) . . . . ?
C27 C23 C24 C25 -179.5(6) . . . . ?
C23 C24 C25 N5 -12.0(11) . . . . ?
C19 C18 C26 C27 -92.5(7) . . . 1_565 ?
C17 C18 C26 C27 93.6(7) . . . 1_565 ?
C22 C23 C27 C26 -97.5(7) . . . 1_545 ?
C24 C23 C27 C26 86.5(7) . . . 1_545 ?
N6 C28 C29 C30 2.4(8) . . . . ?
C28 C29 C30 C31 4.3(8) . . . . ?
C28 C29 C30 C33 -176.4(5) . . . . ?
C29 C30 C31 C32 -8.2(7) . . . . ?
C33 C30 C31 C32 172.4(5) . . . . ?
C30 C31 C32 N6 6.4(8) . . . . ?
C29 C30 C33 C33 -92.5(5) . . . 2_565 ?
C31 C30 C33 C33 86.8(5) . . . 2_565 ?
O1 C7 N1 C8 -6.2(8) . . . . ?
C1 C7 N1 C8 173.9(4) . . . . ?
C9 C8 N1 C7 -75.5(6) . . . . ?
O4 C10 N2 C11 -6.2(9) . . . . ?
C3 C10 N2 C11 173.1(5) . . . . ?
C12 C11 N2 C10 -97.2(6) . . . . ?
O7 C13 N3 C14 -19.8(9) . . . . ?
C5 C13 N3 C14 161.9(5) . . . . ?
C15 C14 N3 C13 -122.1(6) . . . . ?
C17 C16 N4 C20 0.3(9) . . . . ?
C17 C16 N4 Co1 177.6(4) . . . . ?
C19 C20 N4 C16 -0.4(8) . . . . ?
C19 C20 N4 Co1 -177.8(4) . . . . ?
O6 Co1 N4 C16 124.7(5) . . . . ?
O2 Co1 N4 C16 29.6(5) . . . . ?
O1W Co1 N4 C16 -144.7(5) . . . . ?
O9 Co1 N4 C16 -52.4(5) 7_455 . . . ?
O6 Co1 N4 C20 -58.0(4) . . . . ?
O2 Co1 N4 C20 -153.1(4) . . . . ?
O1W Co1 N4 C20 32.5(4) . . . . ?
O9 Co1 N4 C20 124.9(4) 7_455 . . . ?
C22 C21 N5 C25 -10.4(10) . . . . ?
C22 C21 N5 Co1 179.3(5) . . . . ?
C24 C25 N5 C21 14.7(11) . . . . ?
C24 C25 N5 Co1 -175.4(6) . . . . ?
O6 Co1 N5 C21 55.8(6) . . . . ?
O2 Co1 N5 C21 150.9(6) . . . . ?
O1W Co1 N5 C21 -34.8(6) . . . . ?
O9 Co1 N5 C21 -126.8(6) 7_455 . . . ?
O6 Co1 N5 C25 -113.0(6) . . . . ?
O2 Co1 N5 C25 -17.9(6) . . . . ?
O1W Co1 N5 C25 156.4(6) . . . . ?
O9 Co1 N5 C25 64.4(6) 7_455 . . . ?
C31 C32 N6 C28 0.1(7) . . . . ?
C31 C32 N6 Co2 171.6(4) . . . . ?
C29 C28 N6 C32 -4.6(7) . . . . ?
C29 C28 N6 Co2 -176.4(4) . . . . ?
O3 Co2 N6 C32 141.8(4) 2 . . . ?
O3 Co2 N6 C32 -133.6(4) . . . . ?
O2W Co2 N6 C32 -36.2(4) . . . . ?
O2W Co2 N6 C32 44.3(4) 2 . . . ?
O3 Co2 N6 C28 -47.1(3) 2 . . . ?
O3 Co2 N6 C28 37.6(4) . . . . ?
O2W Co2 N6 C28 135.0(4) . . . . ?
O2W Co2 N6 C28 -144.5(3) 2 . . . ?
O3 C9 O2 Co1 139.7(4) . . . . ?
C8 C9 O2 Co1 -39.7(7) . . . . ?
O6 Co1 O2 C9 28.1(5) . . . . ?
O9 Co1 O2 C9 -159.2(5) 7_455 . . . ?
N4 Co1 O2 C9 115.7(5) . . . . ?
N5 Co1 O2 C9 -63.0(5) . . . . ?
O2 C9 O3 Co2 9.1(7) . . . . ?
C8 C9 O3 Co2 -171.5(3) . . . . ?
O3 Co2 O3 C9 152.7(4) 2 . . . ?
O2W Co2 O3 C9 -22.2(4) . . . . ?
N6 Co2 O3 C9 -115.0(4) 2 . . . ?
N6 Co2 O3 C9 65.7(4) . . . . ?
O2 Co1 O6 C12 -164.5(4) . . . 4_545 ?
O1W Co1 O6 C12 12.4(4) . . . 4_545 ?
N4 Co1 O6 C12 105.4(4) . . . 4_545 ?
N5 Co1 O6 C12 -72.2(5) . . . 4_545 ?
O8 C15 O9 Co1 36.1(8) . . . 7_454 ?
C14 C15 O9 Co1 -145.3(4) . . . 7_454 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.523
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.070

# Attachment '735373.cif'

data_complex3
_database_code_depnum_ccdc_archive 'CCDC 735373'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C41 H44 Co2 N7 O11, 0.5(H1.20 O0.60), N O3, 1.7(H2 O)'
_chemical_formula_sum            'C41 H48 Co2 N8 O16'
_chemical_formula_weight         1026.73

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           Orthorhombic
_symmetry_space_group_name_H-M   'Fdd2 '
_symmetry_space_group_name_Hall  'F 2 -2d '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   36.481(2)
_cell_length_b                   49.104(3)
_cell_length_c                   11.8446(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     21218(2)
_cell_formula_units_Z            16
_cell_measurement_temperature    291
_cell_measurement_reflns_used    5672
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      24.36

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8512
_exptl_absorpt_coefficient_mu    0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291
_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 Smart Apex CCD '
_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            28922
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -60
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         26.00
_reflns_number_total             9414
_reflns_number_gt                8119
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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)+(0.0531P)²+27.2246P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.030(13)
_refine_ls_number_reflns         9414
_refine_ls_number_parameters     636
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1118
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.02343(12) 0.14858(9) 0.3535(4) 0.0455(11) Uani 1 1 d . . .
C2 C 0.02485(11) 0.16429(9) 0.2552(4) 0.0455(10) Uani 1 1 d . . .
H2 H 0.0256 0.1832 0.2597 0.055 Uiso 1 1 calc R . .
C3 C 0.02511(11) 0.15142(8) 0.1513(4) 0.0430(10) Uani 1 1 d . . .
C4 C 0.02343(11) 0.12283(8) 0.1444(4) 0.0422(10) Uani 1 1 d . . .
H4 H 0.0233 0.1143 0.0744 0.051 Uiso 1 1 calc R . .
C5 C 0.02202(11) 0.10751(8) 0.2425(4) 0.0432(9) Uani 1 1 d . . .
C6 C 0.02210(12) 0.12039(9) 0.3470(4) 0.0448(10) Uani 1 1 d . . .
H6 H 0.0212 0.1101 0.4128 0.054 Uiso 1 1 calc R . .
C7 C 0.02293(11) 0.16274(8) 0.4662(4) 0.0402(9) Uani 1 1 d . . .
C8 C 0.01105(12) 0.20459(9) 0.5730(4) 0.0439(10) Uani 1 1 d . . .
H8A H 0.0092 0.1923 0.6368 0.053 Uiso 1 1 calc R . .
H8B H -0.0101 0.2166 0.5749 0.053 Uiso 1 1 calc R . .
C9 C 0.04495(11) 0.22135(8) 0.5857(4) 0.0410(9) Uani 1 1 d . . .
C10 C 0.02251(12) 0.16695(9) 0.0432(4) 0.0452(10) Uani 1 1 d . . .
C11 C 0.01404(11) 0.21236(9) -0.0524(4) 0.0409(9) Uani 1 1 d . . .
H11A H 0.0224 0.2036 -0.1211 0.049 Uiso 1 1 calc R . .
H11B H 0.0276 0.2292 -0.0432 0.049 Uiso 1 1 calc R . .
C12 C -0.02707(12) 0.21878(8) -0.0628(4) 0.0423(9) Uani 1 1 d . . .
C13 C 0.02153(12) 0.07671(9) 0.2287(4) 0.0444(10) Uani 1 1 d . . .
C14 C 0.02657(12) 0.03411(9) 0.2844(4) 0.0479(10) Uani 1 1 d . . .
H14A H 0.0163 0.0222 0.3417 0.058 Uiso 1 1 calc R . .
H14B H 0.0132 0.0308 0.2149 0.058 Uiso 1 1 calc R . .
C15 C 0.06563(10) 0.02620(7) 0.2662(4) 0.0369(9) Uani 1 1 d . . .
C16 C 0.17794(11) 0.19902(9) 0.3774(4) 0.0415(10) Uani 1 1 d . . .
H16 H 0.1959 0.2099 0.4102 0.050 Uiso 1 1 calc R . .
C17 C 0.18757(11) 0.18066(8) 0.2942(4) 0.0416(9) Uani 1 1 d . . .
H17 H 0.2121 0.1794 0.2735 0.050 Uiso 1 1 calc R . .
C18 C 0.16355(10) 0.16477(8) 0.2424(3) 0.0378(9) Uani 1 1 d . . .
C19 C 0.12815(12) 0.16696(9) 0.2752(4) 0.0482(10) Uani 1 1 d . . .
H19 H 0.1101 0.1568 0.2390 0.058 Uiso 1 1 calc R . .
C20 C 0.11875(11) 0.18439(8) 0.3628(3) 0.0340(8) Uani 1 1 d . . .
H20 H 0.0947 0.1843 0.3887 0.041 Uiso 1 1 calc R . .
C21 C 0.16584(12) 0.19455(8) 0.8914(4) 0.0424(10) Uani 1 1 d . . .
C22 C 0.18970(12) 0.19876(8) 0.8067(4) 0.0453(10) Uani 1 1 d . . .
H22 H 0.2144 0.1949 0.8162 0.054 Uiso 1 1 calc R . .
C23 C 0.17697(12) 0.20895(8) 0.7057(4) 0.0422(10) Uani 1 1 d . . .
H23 H 0.1941 0.2133 0.6503 0.051 Uiso 1 1 calc R . .
C24 C 0.11955(12) 0.20632(8) 0.7602(4) 0.0416(10) Uani 1 1 d . . .
H24 H 0.0947 0.2081 0.7445 0.050 Uiso 1 1 calc R . .
C25 C 0.12942(13) 0.19694(9) 0.8632(4) 0.0491(11) Uani 1 1 d . . .
H25 H 0.1115 0.1921 0.9152 0.059 Uiso 1 1 calc R . .
C26 C 0.13626(13) 0.33996(8) 0.6432(4) 0.0470(11) Uani 1 1 d . . .
H26 H 0.1584 0.3322 0.6214 0.056 Uiso 1 1 calc R . .
C27 C 0.13724(12) 0.36006(8) 0.7189(4) 0.0433(10) Uani 1 1 d . . .
H27 H 0.1597 0.3670 0.7423 0.052 Uiso 1 1 calc R . .
C28 C 0.10523(12) 0.37052(8) 0.7624(4) 0.0463(11) Uani 1 1 d . . .
C29 C 0.07406(11) 0.36033(8) 0.7167(3) 0.0379(9) Uani 1 1 d . . .
H29 H 0.0516 0.3663 0.7439 0.046 Uiso 1 1 calc R . .
C30 C 0.07476(11) 0.34111(9) 0.6304(4) 0.0440(10) Uani 1 1 d . . .
H30 H 0.0529 0.3359 0.5960 0.053 Uiso 1 1 calc R . .
C31 C 0.13795(13) 0.32427(9) 0.2826(5) 0.0534(12) Uani 1 1 d . . .
H31 H 0.1591 0.3192 0.3214 0.064 Uiso 1 1 calc R . .
C32 C 0.14113(13) 0.33676(10) 0.1778(4) 0.0537(12) Uani 1 1 d . . .
H32 H 0.1641 0.3402 0.1472 0.064 Uiso 1 1 calc R . .
C33 C 0.10965(14) 0.34397(9) 0.1194(4) 0.0510(12) Uani 1 1 d . . .
C34 C 0.07564(13) 0.33896(9) 0.1664(4) 0.0510(11) Uani 1 1 d . . .
H34 H 0.0546 0.3440 0.1273 0.061 Uiso 1 1 calc R . .
C35 C 0.07252(13) 0.32650(8) 0.2711(4) 0.0498(11) Uani 1 1 d . . .
H35 H 0.0495 0.3230 0.3017 0.060 Uiso 1 1 calc R . .
C36 C 0.17390(11) 0.14626(8) 0.1520(3) 0.0372(9) Uani 1 1 d . . .
H36A H 0.1628 0.1286 0.1666 0.045 Uiso 1 1 calc R . .
H36B H 0.2003 0.1439 0.1536 0.045 Uiso 1 1 calc R . .
C37 C 0.16258(11) 0.15569(8) 0.0325(4) 0.0415(9) Uani 1 1 d . . .
H37A H 0.1717 0.1426 -0.0222 0.050 Uiso 1 1 calc R . .
H37B H 0.1360 0.1557 0.0276 0.050 Uiso 1 1 calc R . .
C38 C 0.17679(11) 0.18401(8) 0.0011(3) 0.0393(9) Uani 1 1 d . . .
H38A H 0.1686 0.1967 0.0585 0.047 Uiso 1 1 calc R . .
H38B H 0.2034 0.1836 0.0039 0.047 Uiso 1 1 calc R . .
C39 C 0.10410(13) 0.39064(8) 0.8560(4) 0.0432(10) Uani 1 1 d . . .
H39A H 0.0849 0.4035 0.8371 0.052 Uiso 1 1 calc R . .
H39B H 0.1270 0.4006 0.8526 0.052 Uiso 1 1 calc R . .
C40 C 0.09847(12) 0.38320(9) 0.9778(4) 0.0489(11) Uani 1 1 d . . .
H40A H 0.1096 0.3970 1.0253 0.059 Uiso 1 1 calc R . .
H40B H 0.0724 0.3828 0.9941 0.059 Uiso 1 1 calc R . .
C41 C 0.11480(12) 0.35597(10) 1.0061(4) 0.0484(11) Uani 1 1 d . . .
H41A H 0.1053 0.3430 0.9517 0.058 Uiso 1 1 calc R . .
H41B H 0.1410 0.3573 0.9932 0.058 Uiso 1 1 calc R . .
Co1 Co 0.125645(15) 0.232002(11) 0.52661(5) 0.03919(13) Uani 1 1 d . . .
Co2 Co 0.105226(15) 0.296479(11) 0.48422(5) 0.03838(13) Uani 1 1 d . . .
N1 N 0.00980(9) 0.18827(7) 0.4667(3) 0.0408(8) Uani 1 1 d . . .
H1 H 0.0007 0.1952 0.4061 0.049 Uiso 1 1 calc R . .
N2 N 0.02142(9) 0.19423(7) 0.0454(3) 0.0432(8) Uani 1 1 d . . .
H2A H 0.0045 0.1984 0.0978 0.052 Uiso 1 1 d R . .
N3 N 0.02005(9) 0.06340(7) 0.3199(3) 0.0441(9) Uani 1 1 d . . .
H3 H 0.0162 0.0695 0.3869 0.053 Uiso 1 1 calc R . .
N4 N 0.14277(9) 0.20132(7) 0.4116(3) 0.0374(7) Uani 1 1 d . . .
N5 N 0.14242(10) 0.21287(7) 0.6832(3) 0.0390(8) Uani 1 1 d . . .
N6 N 0.10562(9) 0.33029(7) 0.5970(3) 0.0371(8) Uani 1 1 d . . .
N7 N 0.10424(10) 0.31916(7) 0.3305(3) 0.0436(9) Uani 1 1 d . . .
N8 N 0.09358(10) 0.24732(7) 0.0778(3) 0.0447(9) Uani 1 1 d . . .
O1 O 0.03346(8) 0.15038(6) 0.5469(2) 0.0423(7) Uani 1 1 d . . .
O2 O 0.07365(8) 0.21511(6) 0.5327(3) 0.0439(7) Uani 1 1 d . . .
O3 O 0.04346(7) 0.24001(6) 0.6572(2) 0.0412(7) Uani 1 1 d . . .
O4 O 0.02433(8) 0.15435(6) -0.0464(3) 0.0459(7) Uani 1 1 d . . .
O5 O 0.04904(7) 0.29555(6) 0.4919(3) 0.0445(7) Uani 1 1 d . . .
O6 O -0.03456(8) 0.23723(6) -0.1263(2) 0.0432(7) Uani 1 1 d . . .
O7 O 0.02370(8) 0.06837(6) 0.1300(3) 0.0433(7) Uani 1 1 d . . .
O8 O 0.08890(7) 0.04401(5) 0.2478(3) 0.0413(7) Uani 1 1 d . . .
O9 O 0.17603(7) 0.25137(5) 0.5189(2) 0.0391(6) Uani 1 1 d . . .
O10 O 0.10560(8) 0.25769(6) 0.3899(2) 0.0418(7) Uani 1 1 d . . .
H10A H 0.0813 0.2524 0.3648 0.050 Uiso 1 1 calc R . .
H10B H 0.1223 0.2581 0.3262 0.050 Uiso 1 1 calc R . .
O11 O 0.10507(7) 0.26728(5) 0.6239(2) 0.0367(6) Uani 1 1 d . . .
H11C H 0.0807 0.2642 0.6539 0.044 Uiso 1 1 calc R . .
H11D H 0.1216 0.2725 0.6842 0.044 Uiso 1 1 calc R . .
O12 O 0.06939(9) 0.24433(6) 0.1536(3) 0.0513(8) Uani 1 1 d . . .
O13 O 0.12582(9) 0.24090(6) 0.0980(3) 0.0538(8) Uani 1 1 d . . .
O14 O 0.08531(9) 0.25767(7) -0.0136(3) 0.0553(8) Uani 1 1 d . . .
O1W O 0.0238(2) 0.12124(14) 0.7552(6) 0.0452(17) Uani 0.40 1 d P . .
H1X H 0.0243 0.1040 0.7599 0.054 Uiso 0.40 1 d PR . .
H1Y H 0.0045 0.1272 0.7870 0.054 Uiso 0.40 1 d PR . .
O2W O 0.2500 0.2500 0.0011(7) 0.0514(18) Uani 0.60 2 d SP . .
H2X H 0.2728 0.2535 0.0025 0.062 Uiso 0.30 1 d PR . .
H2Y H 0.2399 0.2563 0.0603 0.062 Uiso 0.30 1 d PR . .
O3W O 0.1465(3) 0.2658(2) 0.8645(9) 0.050(3) Uani 0.30 1 d P . .
H3X H 0.1333 0.2797 0.8773 0.075 Uiso 0.30 1 d PR . .
H3Y H 0.1505 0.2574 0.9261 0.075 Uiso 0.30 1 d PR . .
O4W O 0.22141(19) 0.26472(15) 0.2804(7) 0.0464(17) Uani 0.40 1 d P . .
H4X H 0.2031 0.2754 0.2785 0.056 Uiso 0.40 1 d PR . .
H4Y H 0.2302 0.2630 0.2143 0.056 Uiso 0.40 1 d PR . .
O5W O 0.2755(2) 0.1781(2) 0.9530(10) 0.050(3) Uani 0.30 1 d P . .
H5X H 0.2739 0.1910 0.9056 0.060 Uiso 0.30 1 d PR . .
H5Y H 0.2855 0.1839 1.0132 0.060 Uiso 0.30 1 d PR . .
O6W O 0.0769(3) 0.3051(2) 0.8627(9) 0.053(3) Uani 0.30 1 d P . .
H6X H 0.0792 0.2990 0.9293 0.063 Uiso 0.30 1 d PR . .
H6Y H 0.0979 0.3090 0.8359 0.063 Uiso 0.30 1 d PR . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.387(6) . ?
C1 C2 1.397(6) . ?
C1 C7 1.506(6) . ?
C2 C3 1.384(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.408(6) . ?
C3 C10 1.494(6) . ?
C4 C5 1.385(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(6) . ?
C5 C13 1.521(6) . ?
C6 H6 0.9300 . ?
C7 O1 1.195(5) . ?
C7 N1 1.342(5) . ?
C8 N1 1.493(5) . ?
C8 C9 1.493(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O3 1.249(5) . ?
C9 O2 1.259(5) . ?
C10 O4 1.231(5) . ?
C10 N2 1.340(5) . ?
C11 N2 1.485(5) . ?
C11 C12 1.537(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 O6 1.209(5) . ?
C12 O5 1.248(5) 6_554 ?
C13 O7 1.242(5) . ?
C13 N3 1.264(6) . ?
C14 C15 1.493(6) . ?
C14 N3 1.517(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 O8 1.238(4) . ?
C15 O9 1.257(4) 8_544 ?
C16 N4 1.350(5) . ?
C16 C17 1.381(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.324(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.353(6) . ?
C18 C36 1.454(5) . ?
C19 C20 1.388(6) . ?
C19 H19 0.9300 . ?
C20 N4 1.339(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.344(6) . ?
C21 C25 1.375(6) . ?
C21 C38 1.455(6) 1_556 ?
C22 C23 1.378(6) . ?
C22 H22 0.9300 . ?
C23 N5 1.302(5) . ?
C23 H23 0.9300 . ?
C24 N5 1.277(5) . ?
C24 C25 1.353(6) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 N6 1.332(6) . ?
C26 C27 1.333(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.376(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.355(6) . ?
C28 C39 1.485(6) . ?
C29 C30 1.392(6) . ?
C29 H29 0.9300 . ?
C30 N6 1.306(5) . ?
C30 H30 0.9300 . ?
C31 N7 1.377(6) . ?
C31 C32 1.390(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.387(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.382(7) . ?
C33 C41 1.477(6) 1_554 ?
C34 C35 1.388(7) . ?
C34 H34 0.9300 . ?
C35 N7 1.401(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.546(6) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.530(5) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C21 1.455(6) 1_554 ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.503(6) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.501(6) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C33 1.477(6) 1_556 ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
Co1 O2 2.072(3) . ?
Co1 O9 2.072(3) . ?
Co1 N4 2.125(4) . ?
Co1 N5 2.167(4) . ?
Co1 O10 2.179(3) . ?
Co1 O11 2.212(3) . ?
Co2 O8 2.048(3) 4 ?
Co2 O5 2.052(3) . ?
Co2 N6 2.131(4) . ?
Co2 N7 2.135(4) . ?
Co2 O11 2.189(3) . ?
Co2 O10 2.208(3) . ?
N1 H1 0.8600 . ?
N2 H2A 0.9003 . ?
N3 H3 0.8600 . ?
N8 O14 1.234(5) . ?
N8 O13 1.241(5) . ?
N8 O12 1.268(5) . ?
O5 C12 1.248(5) 6 ?
O8 Co2 2.048(3) 8_544 ?
O9 C15 1.257(4) 4 ?
O10 H10A 0.9700 . ?
O10 H10B 0.9700 . ?
O11 H11C 0.9700 . ?
O11 H11D 0.9700 . ?
O1W H1X 0.8500 . ?
O1W H1Y 0.8500 . ?
O2W H2X 0.8500 . ?
O2W H2Y 0.8501 . ?
O3W H3X 0.8499 . ?
O3W H3Y 0.8501 . ?
O4W H4X 0.8498 . ?
O4W H4Y 0.8501 . ?
O5W H5X 0.8501 . ?
O5W H5Y 0.8500 . ?
O6W H6X 0.8501 . ?
O6W H6Y 0.8501 . ?

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
C6 C1 C2 120.4(4) . . ?
C6 C1 C7 120.6(4) . . ?
C2 C1 C7 119.0(4) . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 C10 121.9(4) . . ?
C4 C3 C10 117.2(4) . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.0(4) . . ?
C4 C5 C13 116.8(4) . . ?
C6 C5 C13 123.2(4) . . ?
C1 C6 C5 120.2(4) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
O1 C7 N1 125.9(4) . . ?
O1 C7 C1 118.1(4) . . ?
N1 C7 C1 116.1(3) . . ?
N1 C8 C9 114.0(3) . . ?
N1 C8 H8A 108.8 . . ?
C9 C8 H8A 108.8 . . ?
N1 C8 H8B 108.8 . . ?
C9 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
O3 C9 O2 123.6(4) . . ?
O3 C9 C8 115.9(4) . . ?
O2 C9 C8 120.3(3) . . ?
O4 C10 N2 121.4(4) . . ?
O4 C10 C3 118.6(4) . . ?
N2 C10 C3 119.7(4) . . ?
N2 C11 C12 111.3(3) . . ?
N2 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N2 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
O6 C12 O5 126.9(4) . 6_554 ?
O6 C12 C11 115.1(4) . . ?
O5 C12 C11 118.0(3) 6_554 . ?
O7 C13 N3 129.6(4) . . ?
O7 C13 C5 115.3(4) . . ?
N3 C13 C5 115.0(4) . . ?
C15 C14 N3 115.9(3) . . ?
C15 C14 H14A 108.3 . . ?
N3 C14 H14A 108.3 . . ?
C15 C14 H14B 108.3 . . ?
N3 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
O8 C15 O9 121.6(4) . 8_544 ?
O8 C15 C14 119.8(3) . . ?
O9 C15 C14 118.7(3) 8_544 . ?
N4 C16 C17 120.7(4) . . ?
N4 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 123.2(4) . . ?
C18 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
C17 C18 C19 116.9(4) . . ?
C17 C18 C36 122.5(4) . . ?
C19 C18 C36 120.6(4) . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
N4 C20 C19 122.9(4) . . ?
N4 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
C22 C21 C25 115.5(4) . . ?
C22 C21 C38 123.0(4) . 1_556 ?
C25 C21 C38 120.8(4) . 1_556 ?
C21 C22 C23 119.1(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
N5 C23 C22 123.9(4) . . ?
N5 C23 H23 118.1 . . ?
C22 C23 H23 118.1 . . ?
N5 C24 C25 123.8(4) . . ?
N5 C24 H24 118.1 . . ?
C25 C24 H24 118.1 . . ?
C24 C25 C21 120.4(4) . . ?
C24 C25 H25 119.8 . . ?
C21 C25 H25 119.8 . . ?
N6 C26 C27 124.2(4) . . ?
N6 C26 H26 117.9 . . ?
C27 C26 H26 117.9 . . ?
C26 C27 C28 120.4(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 115.1(4) . . ?
C29 C28 C39 121.4(4) . . ?
C27 C28 C39 123.5(4) . . ?
C28 C29 C30 121.9(4) . . ?
C28 C29 H29 119.0 . . ?
C30 C29 H29 119.0 . . ?
N6 C30 C29 120.9(4) . . ?
N6 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
N7 C31 C32 121.5(4) . . ?
N7 C31 H31 119.2 . . ?
C32 C31 H31 119.2 . . ?
C33 C32 C31 119.3(4) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 C32 119.8(4) . . ?
C34 C33 C41 123.4(4) . 1_554 ?
C32 C33 C41 116.7(4) . 1_554 ?
C33 C34 C35 120.8(4) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C34 C35 N7 119.6(4) . . ?
C34 C35 H35 120.2 . . ?
N7 C35 H35 120.2 . . ?
C18 C36 C37 114.7(3) . . ?
C18 C36 H36A 108.6 . . ?
C37 C36 H36A 108.6 . . ?
C18 C36 H36B 108.6 . . ?
C37 C36 H36B 108.6 . . ?
H36A C36 H36B 107.6 . . ?
C38 C37 C36 113.8(3) . . ?
C38 C37 H37A 108.8 . . ?
C36 C37 H37A 108.8 . . ?
C38 C37 H37B 108.8 . . ?
C36 C37 H37B 108.8 . . ?
H37A C37 H37B 107.7 . . ?
C21 C38 C37 116.6(4) 1_554 . ?
C21 C38 H38A 108.2 1_554 . ?
C37 C38 H38A 108.2 . . ?
C21 C38 H38B 108.2 1_554 . ?
C37 C38 H38B 108.2 . . ?
H38A C38 H38B 107.3 . . ?
C28 C39 C40 124.0(4) . . ?
C28 C39 H39A 106.3 . . ?
C40 C39 H39A 106.3 . . ?
C28 C39 H39B 106.3 . . ?
C40 C39 H39B 106.3 . . ?
H39A C39 H39B 106.4 . . ?
C41 C40 C39 112.1(4) . . ?
C41 C40 H40A 109.2 . . ?
C39 C40 H40A 109.2 . . ?
C41 C40 H40B 109.2 . . ?
C39 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
C33 C41 C40 120.5(4) 1_556 . ?
C33 C41 H41A 107.2 1_556 . ?
C40 C41 H41A 107.2 . . ?
C33 C41 H41B 107.2 1_556 . ?
C40 C41 H41B 107.2 . . ?
H41A C41 H41B 106.8 . . ?
O2 Co1 O9 176.22(11) . . ?
O2 Co1 N4 90.43(12) . . ?
O9 Co1 N4 92.08(12) . . ?
O2 Co1 N5 93.17(13) . . ?
O9 Co1 N5 89.23(12) . . ?
N4 Co1 N5 99.10(13) . . ?
O2 Co1 O10 87.15(12) . . ?
O9 Co1 O10 89.94(11) . . ?
N4 Co1 O10 91.88(12) . . ?
N5 Co1 O10 169.01(12) . . ?
O2 Co1 O11 89.12(10) . . ?
O9 Co1 O11 87.97(10) . . ?
N4 Co1 O11 171.50(12) . . ?
N5 Co1 O11 89.40(12) . . ?
O10 Co1 O11 79.62(11) . . ?
O8 Co2 O5 171.56(14) 4 . ?
O8 Co2 N6 89.44(12) 4 . ?
O5 Co2 N6 89.78(12) . . ?
O8 Co2 N7 96.57(13) 4 . ?
O5 Co2 N7 91.86(14) . . ?
N6 Co2 N7 97.37(14) . . ?
O8 Co2 O11 84.53(11) 4 . ?
O5 Co2 O11 87.10(12) . . ?
N6 Co2 O11 92.11(12) . . ?
N7 Co2 O11 170.46(13) . . ?
O8 Co2 O10 88.99(11) 4 . ?
O5 Co2 O10 90.55(11) . . ?
N6 Co2 O10 171.55(12) . . ?
N7 Co2 O10 91.06(12) . . ?
O11 Co2 O10 79.47(11) . . ?
C7 N1 C8 119.6(4) . . ?
C7 N1 H1 120.2 . . ?
C8 N1 H1 120.2 . . ?
C10 N2 C11 126.1(4) . . ?
C10 N2 H2A 105.3 . . ?
C11 N2 H2A 106.0 . . ?
C13 N3 C14 104.3(4) . . ?
C13 N3 H3 127.9 . . ?
C14 N3 H3 127.9 . . ?
C20 N4 C16 116.1(4) . . ?
C20 N4 Co1 121.6(3) . . ?
C16 N4 Co1 122.1(3) . . ?
C24 N5 C23 116.7(4) . . ?
C24 N5 Co1 122.4(3) . . ?
C23 N5 Co1 120.8(3) . . ?
C30 N6 C26 117.0(4) . . ?
C30 N6 Co2 120.1(3) . . ?
C26 N6 Co2 122.7(3) . . ?
C31 N7 C35 119.0(4) . . ?
C31 N7 Co2 115.5(3) . . ?
C35 N7 Co2 125.2(3) . . ?
O14 N8 O13 120.4(4) . . ?
O14 N8 O12 120.0(4) . . ?
O13 N8 O12 119.6(4) . . ?
C9 O2 Co1 132.9(3) . . ?
C12 O5 Co2 129.1(3) 6 . ?
C15 O8 Co2 137.5(3) . 8_544 ?
C15 O9 Co1 131.4(2) 4 . ?
Co1 O10 Co2 97.22(12) . . ?
Co1 O10 H10A 112.3 . . ?
Co2 O10 H10A 112.3 . . ?
Co1 O10 H10B 112.3 . . ?
Co2 O10 H10B 112.3 . . ?
H10A O10 H10B 109.9 . . ?
Co2 O11 Co1 96.79(11) . . ?
Co2 O11 H11C 112.4 . . ?
Co1 O11 H11C 112.4 . . ?
Co2 O11 H11D 112.4 . . ?
Co1 O11 H11D 112.4 . . ?
H11C O11 H11D 110.0 . . ?
H1X O1W H1Y 109.5 . . ?
H2X O2W H2Y 109.5 . . ?
H3X O3W H3Y 109.5 . . ?
H4X O4W H4Y 109.5 . . ?
H5X O5W H5Y 109.5 . . ?
H6X O6W H6Y 109.5 . . ?

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
C6 C1 C2 C3 -0.4(6) . . . . ?
C7 C1 C2 C3 -179.6(4) . . . . ?
C1 C2 C3 C4 0.9(6) . . . . ?
C1 C2 C3 C10 173.2(4) . . . . ?
C2 C3 C4 C5 -0.9(6) . . . . ?
C10 C3 C4 C5 -173.6(4) . . . . ?
C3 C4 C5 C6 0.3(6) . . . . ?
C3 C4 C5 C13 -178.0(4) . . . . ?
C2 C1 C6 C5 -0.2(7) . . . . ?
C7 C1 C6 C5 179.0(4) . . . . ?
C4 C5 C6 C1 0.3(6) . . . . ?
C13 C5 C6 C1 178.5(4) . . . . ?
C6 C1 C7 O1 24.5(6) . . . . ?
C2 C1 C7 O1 -156.2(4) . . . . ?
C6 C1 C7 N1 -154.2(4) . . . . ?
C2 C1 C7 N1 25.1(6) . . . . ?
N1 C8 C9 O3 163.2(4) . . . . ?
N1 C8 C9 O2 -22.1(6) . . . . ?
C2 C3 C10 O4 177.2(4) . . . . ?
C4 C3 C10 O4 -10.2(6) . . . . ?
C2 C3 C10 N2 2.9(6) . . . . ?
C4 C3 C10 N2 175.4(4) . . . . ?
N2 C11 C12 O6 166.8(4) . . . . ?
N2 C11 C12 O5 -14.7(6) . . . 6_554 ?
C4 C5 C13 O7 2.3(6) . . . . ?
C6 C5 C13 O7 -176.0(4) . . . . ?
C4 C5 C13 N3 -179.7(4) . . . . ?
C6 C5 C13 N3 2.1(6) . . . . ?
N3 C14 C15 O8 -21.0(6) . . . . ?
N3 C14 C15 O9 159.9(4) . . . 8_544 ?
N4 C16 C17 C18 1.0(7) . . . . ?
C16 C17 C18 C19 -0.5(7) . . . . ?
C16 C17 C18 C36 177.7(4) . . . . ?
C17 C18 C19 C20 -2.8(7) . . . . ?
C36 C18 C19 C20 179.0(4) . . . . ?
C18 C19 C20 N4 6.1(7) . . . . ?
C25 C21 C22 C23 9.7(6) . . . . ?
C38 C21 C22 C23 -179.6(4) 1_556 . . . ?
C21 C22 C23 N5 -5.7(7) . . . . ?
N5 C24 C25 C21 1.5(7) . . . . ?
C22 C21 C25 C24 -8.0(7) . . . . ?
C38 C21 C25 C24 -178.8(4) 1_556 . . . ?
N6 C26 C27 C28 6.3(7) . . . . ?
C26 C27 C28 C29 -4.6(7) . . . . ?
C26 C27 C28 C39 172.8(4) . . . . ?
C27 C28 C29 C30 -1.3(6) . . . . ?
C39 C28 C29 C30 -178.9(4) . . . . ?
C28 C29 C30 N6 6.3(7) . . . . ?
N7 C31 C32 C33 -0.8(8) . . . . ?
C31 C32 C33 C34 0.7(7) . . . . ?
C31 C32 C33 C41 -177.2(5) . . . 1_554 ?
C32 C33 C34 C35 -0.7(7) . . . . ?
C41 C33 C34 C35 177.1(5) 1_554 . . . ?
C33 C34 C35 N7 0.6(7) . . . . ?
C17 C18 C36 C37 -105.1(5) . . . . ?
C19 C18 C36 C37 73.0(5) . . . . ?
C18 C36 C37 C38 55.5(5) . . . . ?
C36 C37 C38 C21 -177.6(4) . . . 1_554 ?
C29 C28 C39 C40 80.9(6) . . . . ?
C27 C28 C39 C40 -96.4(6) . . . . ?
C28 C39 C40 C41 32.6(6) . . . . ?
C39 C40 C41 C33 -175.1(4) . . . 1_556 ?
O1 C7 N1 C8 6.2(7) . . . . ?
C1 C7 N1 C8 -175.2(4) . . . . ?
C9 C8 N1 C7 91.4(5) . . . . ?
O4 C10 N2 C11 14.3(7) . . . . ?
C3 C10 N2 C11 -171.5(4) . . . . ?
C12 C11 N2 C10 91.4(5) . . . . ?
O7 C13 N3 C14 7.2(6) . . . . ?
C5 C13 N3 C14 -170.5(3) . . . . ?
C15 C14 N3 C13 81.0(5) . . . . ?
C19 C20 N4 C16 -5.4(6) . . . . ?
C19 C20 N4 Co1 170.0(3) . . . . ?
C17 C16 N4 C20 1.9(6) . . . . ?
C17 C16 N4 Co1 -173.5(3) . . . . ?
O2 Co1 N4 C20 10.6(3) . . . . ?
O9 Co1 N4 C20 -166.5(3) . . . . ?
N5 Co1 N4 C20 103.9(3) . . . . ?
O10 Co1 N4 C20 -76.5(3) . . . . ?
O2 Co1 N4 C16 -174.2(3) . . . . ?
O9 Co1 N4 C16 8.6(3) . . . . ?
N5 Co1 N4 C16 -80.9(3) . . . . ?
O10 Co1 N4 C16 98.6(3) . . . . ?
C25 C24 N5 C23 3.1(6) . . . . ?
C25 C24 N5 Co1 -173.0(3) . . . . ?
C22 C23 N5 C24 -1.1(6) . . . . ?
C22 C23 N5 Co1 175.1(3) . . . . ?
O2 Co1 N5 C24 -26.7(3) . . . . ?
O9 Co1 N5 C24 150.4(3) . . . . ?
N4 Co1 N5 C24 -117.6(3) . . . . ?
O10 Co1 N5 C24 64.7(8) . . . . ?
O11 Co1 N5 C24 62.4(3) . . . . ?
O2 Co1 N5 C23 157.4(3) . . . . ?
O9 Co1 N5 C23 -25.5(3) . . . . ?
N4 Co1 N5 C23 66.4(3) . . . . ?
O10 Co1 N5 C23 -111.2(7) . . . . ?
O11 Co1 N5 C23 -113.5(3) . . . . ?
C29 C30 N6 C26 -4.9(6) . . . . ?
C29 C30 N6 Co2 170.0(3) . . . . ?
C27 C26 N6 C30 -1.3(7) . . . . ?
C27 C26 N6 Co2 -176.1(4) . . . . ?
O8 Co2 N6 C30 -175.6(3) 4 . . . ?
O5 Co2 N6 C30 -4.0(3) . . . . ?
N7 Co2 N6 C30 87.8(3) . . . . ?
O11 Co2 N6 C30 -91.1(3) . . . . ?
O8 Co2 N6 C26 -1.0(3) 4 . . . ?
O5 Co2 N6 C26 170.6(4) . . . . ?
N7 Co2 N6 C26 -97.6(3) . . . . ?
O11 Co2 N6 C26 83.5(3) . . . . ?
C32 C31 N7 C35 0.7(7) . . . . ?
C32 C31 N7 Co2 174.4(4) . . . . ?
C34 C35 N7 C31 -0.6(6) . . . . ?
C34 C35 N7 Co2 -173.7(3) . . . . ?
O8 Co2 N7 C31 3.2(3) 4 . . . ?
O5 Co2 N7 C31 -176.5(3) . . . . ?
N6 Co2 N7 C31 93.5(3) . . . . ?
O10 Co2 N7 C31 -85.9(3) . . . . ?
O8 Co2 N7 C35 176.5(3) 4 . . . ?
O5 Co2 N7 C35 -3.2(4) . . . . ?
N6 Co2 N7 C35 -93.2(4) . . . . ?
O10 Co2 N7 C35 87.4(4) . . . . ?
O3 C9 O2 Co1 -5.1(7) . . . . ?
C8 C9 O2 Co1 -179.3(3) . . . . ?
N4 Co1 O2 C9 179.3(4) . . . . ?
N5 Co1 O2 C9 80.2(4) . . . . ?
O10 Co1 O2 C9 -88.8(4) . . . . ?
O11 Co1 O2 C9 -9.2(4) . . . . ?
N6 Co2 O5 C12 174.0(4) . . . 6 ?
N7 Co2 O5 C12 76.6(4) . . . 6 ?
O11 Co2 O5 C12 -93.9(4) . . . 6 ?
O10 Co2 O5 C12 -14.5(4) . . . 6 ?
O9 C15 O8 Co2 -9.1(7) 8_544 . . 8_544 ?
C14 C15 O8 Co2 171.7(3) . . . 8_544 ?
N4 Co1 O9 C15 140.3(4) . . . 4 ?
N5 Co1 O9 C15 -120.6(4) . . . 4 ?
O10 Co1 O9 C15 48.4(4) . . . 4 ?
O11 Co1 O9 C15 -31.2(4) . . . 4 ?
O2 Co1 O10 Co2 109.35(12) . . . . ?
O9 Co1 O10 Co2 -68.23(11) . . . . ?
N4 Co1 O10 Co2 -160.30(12) . . . . ?
N5 Co1 O10 Co2 17.4(7) . . . . ?
O11 Co1 O10 Co2 19.72(10) . . . . ?
O8 Co2 O10 Co1 64.68(12) 4 . . . ?
O5 Co2 O10 Co1 -106.89(13) . . . . ?
N7 Co2 O10 Co1 161.24(13) . . . . ?
O11 Co2 O10 Co1 -19.94(10) . . . . ?
O8 Co2 O11 Co1 -70.38(11) 4 . . . ?
O5 Co2 O11 Co1 110.71(12) . . . . ?
N6 Co2 O11 Co1 -159.62(12) . . . . ?
O10 Co2 O11 Co1 19.61(10) . . . . ?
O2 Co1 O11 Co2 -107.14(12) . . . . ?
O9 Co1 O11 Co2 70.43(11) . . . . ?
N5 Co1 O11 Co2 159.68(12) . . . . ?
O10 Co1 O11 Co2 -19.88(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.239
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.056


