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


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and 
#  data retrieval see:
#                         www.ccdc.cam.ac.uk 
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively. 
#
####################################################################### 

data_275
_database_code_depnum_ccdc_archive 'CCDC 840130'
#TrackingRef '275.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C156 H60 Co15 N12 O56'
_chemical_formula_weight         3882.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0002 0.0005 '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 0.0004 0.0009 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0015 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.2113 0.3449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   P4/mbm

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

_cell_length_a                   30.163(4)
_cell_length_b                   30.163(4)
_cell_length_c                   15.4840(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14088(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3866
_exptl_absorpt_coefficient_mu    0.175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9913
_exptl_absorpt_correction_T_max  0.9965
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2003)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.40663
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         synchrotron
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device_type  'BRUKER SMART APEXII CCD'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            55336
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         0.86
_diffrn_reflns_theta_max         10.09
_reflns_number_total             2586
_reflns_number_gt                1971
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_cell_refinement       'APEX2 (Bruker, 2010); SAINT (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009);XPREP(Sheldrick,2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX2 (Bruker, 2010)'
_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^)+(0.2000P)^2^+10.0000P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2586
_refine_ls_number_parameters     295
_refine_ls_number_restraints     265
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0883
_refine_ls_wR_factor_ref         0.2791
_refine_ls_wR_factor_gt          0.2566
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.126
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.5000 1.0000 0.0000 0.118(2) Uani 1 8 d S . .
Co2 Co 0.24720(8) 1.01704(8) 0.37749(19) 0.1611(13) Uani 1 1 d . . .
Co3 Co 0.16133(8) 1.01030(7) 0.5000 0.0816(11) Uani 1 2 d S . .
Co4 Co 0.25943(7) 0.75943(7) 0.0000 0.0575(11) Uani 1 4 d S . .
C1 C 0.4020(4) 1.0980(4) 0.0433(6) 0.146(6) Uani 1 2 d SDU . .
H1A H 0.3840 1.1160 0.0795 0.175 Uiso 1 2 calc SR . .
C2 C 0.4339(4) 1.0661(4) 0.0714(15) 0.140(5) Uani 1 2 d SDU . .
C3 C 0.4427(4) 1.0573(4) 0.1571(13) 0.135(5) Uani 1 2 d SDU . .
C4 C 0.4742(4) 1.0258(4) 0.1833(14) 0.126(5) Uani 1 2 d SDU . .
C5 C 0.4840(2) 1.0160(2) 0.2737(15) 0.166(9) Uani 1 2 d SDU . .
H5A H 0.4707 1.0293 0.3229 0.199 Uiso 1 2 calc SR . .
C6 C 0.4179(5) 1.0821(5) 0.2229(15) 0.150(6) Uani 1 2 d SDU . .
C7 C 0.3807(4) 1.0641(4) 0.2591(10) 0.155(4) Uani 1 1 d DU . .
H7A H 0.3695 1.0367 0.2378 0.186 Uiso 1 1 calc R . .
C8 C 0.3596(4) 1.0845(4) 0.3242(9) 0.164(4) Uani 1 1 d DU . .
C9 C 0.3776(5) 1.1224(5) 0.3581(15) 0.168(6) Uani 1 2 d SDU . .
H9A H 0.3637 1.1363 0.4058 0.201 Uiso 1 2 calc SR . .
C10 C 0.3165(4) 1.0659(6) 0.3598(9) 0.176(4) Uani 1 1 d DU . .
C11 C 0.1901(5) 0.9458(4) 0.3540(10) 0.138(3) Uani 1 1 d DU . .
C12 C 0.1716(4) 0.9025(3) 0.3204(6) 0.077(3) Uani 1 1 d DU . .
C13 C 0.1335(3) 0.8858(3) 0.3505(7) 0.080(3) Uani 1 1 d DU . .
H13A H 0.1176 0.9009 0.3945 0.096 Uiso 1 1 calc R . .
C14 C 0.1173(4) 0.8462(4) 0.3170(7) 0.084(3) Uani 1 1 d DU . .
C15 C 0.1408(3) 0.8236(4) 0.2548(6) 0.080(3) Uani 1 1 d DU . .
H15A H 0.1303 0.7959 0.2340 0.096 Uiso 1 1 calc R . .
C16 C 0.1789(3) 0.8411(4) 0.2235(6) 0.075(3) Uani 1 1 d DU . .
C17 C 0.1945(3) 0.8804(3) 0.2567(6) 0.074(3) Uani 1 1 d DU . .
H17A H 0.2215 0.8925 0.2354 0.089 Uiso 1 1 calc R . .
C18 C 0.0764(4) 0.8269(4) 0.3546(8) 0.097(3) Uani 1 1 d DU . .
C19 C 0.2030(3) 0.8171(3) 0.1570(6) 0.066(3) Uani 1 1 d DU . .
C20 C 0.2362(3) 0.7888(3) 0.1816(6) 0.073(3) Uani 1 1 d DU . .
C21 C 0.2470(3) 0.7795(3) 0.2688(7) 0.091(4) Uani 1 1 d DU . .
H21A H 0.2343 0.7930 0.3183 0.109 Uiso 1 1 calc R . .
C22 C 0.1932(3) 0.8250(3) 0.0723(6) 0.064(3) Uani 1 1 d DU . .
C23 C 0.1613(4) 0.8564(4) 0.0443(5) 0.091(4) Uani 1 1 d D . .
H23A H 0.1431 0.8742 0.0804 0.109 Uiso 1 1 calc R . .
O2 O 0.3023(4) 1.0279(4) 0.3329(8) 0.181(4) Uani 1 1 d DU . .
O3 O 0.2927(5) 1.0824(5) 0.4117(10) 0.251(6) Uani 1 1 d DU . .
O4 O 0.2294(5) 1.0207(5) 0.5000 0.161(5) Uani 1 2 d SU . .
O5 O 0.2259(3) 0.9614(3) 0.3357(6) 0.134(3) Uani 1 1 d U . .
O6 O 0.0893(3) 1.0015(3) 0.5000 0.104(3) Uani 1 2 d S . .
O7 O 0.1624(3) 0.9650(3) 0.4045(6) 0.149(3) Uani 1 1 d U . .
O8 O 0.0583(4) 0.8485(3) 0.4102(7) 0.171(5) Uani 1 1 d . . .
O9 O 0.0635(3) 0.7905(4) 0.3288(7) 0.145(4) Uani 1 1 d . . .
N1 N 0.5000 1.0000 0.1231(18) 0.128(8) Uani 1 4 d S . .
N2 N 0.4552(4) 1.0448(4) 0.0000 0.122(8) Uani 1 4 d S . .
N3 N 0.2610(3) 0.7610(3) 0.1259(7) 0.065(3) Uani 1 2 d S . .
N4 N 0.2125(3) 0.8064(3) 0.0000 0.060(3) Uani 1 2 d S . .

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 0.090(3) 0.090(3) 0.173(6) 0.000 0.000 0.015(3)
Co2 0.140(2) 0.126(2) 0.216(3) 0.0007(17) 0.0432(18) -0.0236(15)
Co3 0.108(2) 0.0583(16) 0.0782(17) 0.000 0.000 -0.0008(12)
Co4 0.0662(14) 0.0662(14) 0.0401(18) 0.000 0.000 0.0309(15)
C1 0.119(7) 0.119(7) 0.198(15) 0.006(7) -0.006(7) 0.047(9)
C2 0.115(6) 0.115(6) 0.190(13) 0.005(7) -0.005(7) 0.041(8)
C3 0.112(6) 0.112(6) 0.183(13) 0.001(7) -0.001(7) 0.026(8)
C4 0.104(7) 0.104(7) 0.170(14) -0.006(8) 0.006(8) 0.029(9)
C5 0.167(9) 0.167(9) 0.164(12) 0.006(6) -0.006(6) 0.012(9)
C6 0.126(7) 0.126(7) 0.200(13) -0.028(7) 0.028(7) 0.002(10)
C7 0.125(8) 0.135(8) 0.204(11) -0.031(7) 0.028(7) -0.003(8)
C8 0.135(7) 0.148(7) 0.210(9) -0.033(6) 0.032(6) 0.005(7)
C9 0.146(7) 0.146(7) 0.210(13) -0.040(7) 0.040(7) 0.013(9)
C10 0.147(7) 0.170(7) 0.212(8) -0.022(6) 0.035(6) 0.006(6)
C11 0.145(6) 0.128(5) 0.139(5) -0.054(4) 0.007(5) 0.025(5)
C12 0.079(6) 0.088(6) 0.065(6) -0.011(5) 0.000(5) 0.045(5)
C13 0.084(6) 0.094(6) 0.064(6) -0.018(5) 0.015(5) 0.046(6)
C14 0.083(6) 0.097(6) 0.072(6) -0.022(5) 0.018(5) 0.040(5)
C15 0.085(6) 0.093(6) 0.064(6) -0.029(5) 0.005(5) 0.038(5)
C16 0.082(6) 0.093(6) 0.052(6) -0.018(5) 0.008(5) 0.043(6)
C17 0.080(6) 0.090(6) 0.053(6) -0.008(5) 0.011(5) 0.042(5)
C18 0.095(8) 0.105(8) 0.093(8) -0.022(7) 0.024(6) 0.032(7)
C19 0.083(6) 0.065(6) 0.050(5) -0.012(5) -0.005(5) 0.039(5)
C20 0.103(7) 0.074(7) 0.043(6) -0.018(5) -0.016(6) 0.048(6)
C21 0.102(7) 0.113(7) 0.057(6) -0.011(6) -0.003(5) 0.039(6)
C22 0.080(6) 0.066(6) 0.046(6) -0.019(5) 0.003(6) 0.033(6)
C23 0.107(9) 0.101(8) 0.065(7) -0.011(6) 0.008(6) 0.068(8)
O2 0.141(7) 0.162(8) 0.240(9) -0.008(7) 0.051(7) 0.020(7)
O3 0.190(11) 0.255(12) 0.309(13) -0.093(10) 0.073(10) -0.010(10)
O4 0.177(9) 0.180(9) 0.125(8) 0.000 0.000 0.043(8)
O5 0.147(6) 0.120(6) 0.135(5) -0.051(5) 0.011(5) 0.032(5)
O6 0.088(8) 0.106(8) 0.119(8) 0.000 0.000 0.002(7)
O7 0.150(6) 0.143(5) 0.154(5) -0.068(5) 0.011(5) 0.016(5)
O8 0.195(11) 0.106(7) 0.212(11) -0.026(7) 0.158(9) -0.017(7)
O9 0.083(6) 0.154(9) 0.198(10) -0.073(8) 0.073(6) -0.029(6)
N1 0.105(11) 0.105(11) 0.17(3) 0.000 0.000 -0.005(15)
N2 0.055(8) 0.055(8) 0.26(3) 0.000 0.000 0.009(11)
N3 0.076(5) 0.076(5) 0.044(7) -0.012(4) -0.012(4) 0.036(7)
N4 0.065(8) 0.046(7) 0.071(9) 0.000 0.000 0.030(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N1 1.91(3) . ?
Co1 N1 1.91(3) 9_675 ?
Co1 N2 1.911(19) 9_675 ?
Co1 N2 1.911(18) . ?
Co2 O2 1.829(11) . ?
Co2 O5 1.910(10) . ?
Co2 O9 1.955(9) 3_665 ?
Co2 O4 1.974(5) . ?
Co3 O7 2.013(9) 10_556 ?
Co3 O7 2.013(9) . ?
Co3 O8 2.029(8) 12_666 ?
Co3 O8 2.029(8) 3_665 ?
Co3 O4 2.078(16) . ?
Co3 O6 2.189(11) . ?
Co4 N3 1.951(11) 10 ?
Co4 N3 1.951(11) . ?
Co4 N4 2.002(10) . ?
Co4 N4 2.002(10) 7_455 ?
C1 C1 1.341(19) 10 ?
C1 C2 1.429(16) . ?
C1 H1A 0.9500 . ?
C2 C3 1.380(17) . ?
C2 N2 1.43(2) . ?
C3 C4 1.403(17) . ?
C3 C6 1.469(17) . ?
C4 N1 1.44(2) . ?
C4 C5 1.462(17) . ?
C5 C5 1.363(19) 2_675 ?
C5 H5A 0.9500 . ?
C6 C7 1.368(11) 15_775 ?
C6 C7 1.368(11) . ?
C7 C8 1.340(14) . ?
C7 H7A 0.9500 . ?
C8 C9 1.370(15) . ?
C8 C10 1.520(13) . ?
C9 C8 1.370(15) 15_775 ?
C9 H9A 0.9500 . ?
C10 O3 1.187(17) . ?
C10 O2 1.291(17) . ?
C11 O5 1.213(15) . ?
C11 O7 1.281(15) . ?
C11 C12 1.511(13) . ?
C12 C13 1.339(13) . ?
C12 C17 1.377(11) . ?
C13 C14 1.393(14) . ?
C13 H13A 0.9500 . ?
C14 C15 1.376(11) . ?
C14 C18 1.482(12) . ?
C15 C16 1.356(12) . ?
C15 H15A 0.9500 . ?
C16 C17 1.375(11) . ?
C16 C19 1.455(11) . ?
C17 H17A 0.9500 . ?
C18 O8 1.210(12) . ?
C18 O9 1.231(13) . ?
C19 C22 1.366(11) . ?
C19 C20 1.369(11) . ?
C20 N3 1.416(10) . ?
C20 C21 1.418(11) . ?
C21 C21 1.384(15) 16_565 ?
C21 H21A 0.9500 . ?
C22 N4 1.382(10) . ?
C22 C23 1.418(11) . ?
C23 C23 1.372(14) 10 ?
C23 H23A 0.9500 . ?
O4 Co2 1.974(5) 10_556 ?
O8 Co3 2.029(8) 11_466 ?
O9 Co2 1.955(9) 4_465 ?
N1 C4 1.44(2) 2_675 ?
N2 C2 1.43(2) 10 ?
N3 C20 1.416(10) 16_565 ?
N4 C22 1.382(10) 10 ?

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
N1 Co1 N1 180.000(5) . 9_675 ?
N1 Co1 N2 90.000(4) . 9_675 ?
N1 Co1 N2 90.000(4) 9_675 9_675 ?
N1 Co1 N2 90.000(4) . . ?
N1 Co1 N2 90.000(4) 9_675 . ?
N2 Co1 N2 180.000(3) 9_675 . ?
O2 Co2 O5 109.6(5) . . ?
O2 Co2 O9 104.7(5) . 3_665 ?
O5 Co2 O9 107.7(5) . 3_665 ?
O2 Co2 O4 126.8(6) . . ?
O5 Co2 O4 106.5(6) . . ?
O9 Co2 O4 99.9(5) 3_665 . ?
O7 Co3 O7 94.6(6) 10_556 . ?
O7 Co3 O8 89.0(5) 10_556 12_666 ?
O7 Co3 O8 171.8(4) . 12_666 ?
O7 Co3 O8 171.8(4) 10_556 3_665 ?
O7 Co3 O8 89.0(5) . 3_665 ?
O8 Co3 O8 86.6(7) 12_666 3_665 ?
O7 Co3 O4 94.9(4) 10_556 . ?
O7 Co3 O4 94.9(4) . . ?
O8 Co3 O4 92.1(4) 12_666 . ?
O8 Co3 O4 92.1(4) 3_665 . ?
O7 Co3 O6 86.2(3) 10_556 . ?
O7 Co3 O6 86.2(3) . . ?
O8 Co3 O6 86.6(3) 12_666 . ?
O8 Co3 O6 86.6(3) 3_665 . ?
O4 Co3 O6 178.3(5) . . ?
N3 Co4 N3 176.1(7) 10 . ?
N3 Co4 N4 90.0(1) 10 . ?
N3 Co4 N4 90.0(1) . . ?
N3 Co4 N4 90.0(1) 10 7_455 ?
N3 Co4 N4 90.0(1) . 7_455 ?
N4 Co4 N4 180.0(6) . 7_455 ?
C1 C1 C2 107.7(10) 10 . ?
C1 C1 H1A 126.1 10 . ?
C2 C1 H1A 126.1 . . ?
C3 C2 C1 123.5(18) . . ?
C3 C2 N2 124.7(16) . . ?
C1 C2 N2 111.8(18) . . ?
C2 C3 C4 122.6(19) . . ?
C2 C3 C6 118.1(19) . . ?
C4 C3 C6 119(2) . . ?
C3 C4 N1 123.0(19) . . ?
C3 C4 C5 123.5(17) . . ?
N1 C4 C5 113.5(16) . . ?
C5 C5 C4 106.7(8) 2_675 . ?
C5 C5 H5A 126.6 2_675 . ?
C4 C5 H5A 126.6 . . ?
C7 C6 C7 118.9(18) 15_775 . ?
C7 C6 C3 120.0(9) 15_775 . ?
C7 C6 C3 120.0(9) . . ?
C8 C7 C6 121.0(12) . . ?
C8 C7 H7A 119.5 . . ?
C6 C7 H7A 119.5 . . ?
C7 C8 C9 118.8(13) . . ?
C7 C8 C10 120.6(11) . . ?
C9 C8 C10 120.6(15) . . ?
C8 C9 C8 121(2) . 15_775 ?
C8 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 15_775 . ?
O3 C10 O2 113.0(14) . . ?
O3 C10 C8 127.4(17) . . ?
O2 C10 C8 119.6(15) . . ?
O5 C11 O7 123.2(12) . . ?
O5 C11 C12 125.6(14) . . ?
O7 C11 C12 111.2(12) . . ?
C13 C12 C17 119.8(10) . . ?
C13 C12 C11 121.4(10) . . ?
C17 C12 C11 118.7(11) . . ?
C12 C13 C14 119.7(10) . . ?
C12 C13 H13A 120.1 . . ?
C14 C13 H13A 120.1 . . ?
C15 C14 C13 120.3(10) . . ?
C15 C14 C18 120.6(11) . . ?
C13 C14 C18 118.9(9) . . ?
C16 C15 C14 119.7(10) . . ?
C16 C15 H15A 120.2 . . ?
C14 C15 H15A 120.2 . . ?
C15 C16 C17 119.5(10) . . ?
C15 C16 C19 118.9(10) . . ?
C17 C16 C19 121.6(9) . . ?
C16 C17 C12 120.9(10) . . ?
C16 C17 H17A 119.5 . . ?
C12 C17 H17A 119.5 . . ?
O8 C18 O9 124.7(12) . . ?
O8 C18 C14 116.3(11) . . ?
O9 C18 C14 119.0(11) . . ?
C22 C19 C20 122.4(8) . . ?
C22 C19 C16 118.9(8) . . ?
C20 C19 C16 118.6(8) . . ?
C19 C20 N3 125.8(8) . . ?
C19 C20 C21 123.9(8) . . ?
N3 C20 C21 109.9(8) . . ?
C21 C21 C20 107.6(5) 16_565 . ?
C21 C21 H21A 126.2 16_565 . ?
C20 C21 H21A 126.2 . . ?
C19 C22 N4 127.9(8) . . ?
C19 C22 C23 124.0(8) . . ?
N4 C22 C23 108.1(8) . . ?
C23 C23 C22 107.8(5) 10 . ?
C23 C23 H23A 126.1 10 . ?
C22 C23 H23A 126.1 . . ?
C10 O2 Co2 109.8(10) . . ?
Co2 O4 Co2 147.8(9) 10_556 . ?
Co2 O4 Co3 105.1(5) 10_556 . ?
Co2 O4 Co3 105.1(5) . . ?
C11 O5 Co2 124.1(9) . . ?
C11 O7 Co3 140.0(9) . . ?
C18 O8 Co3 136.9(9) . 11_466 ?
C18 O9 Co2 128.3(8) . 4_465 ?
C4 N1 C4 100(2) 2_675 . ?
C4 N1 Co1 130.2(11) 2_675 . ?
C4 N1 Co1 130.2(11) . . ?
C2 N2 C2 101.1(19) . 10 ?
C2 N2 Co1 129.5(10) . . ?
C2 N2 Co1 129.5(10) 10 . ?
C20 N3 C20 104.8(10) 16_565 . ?
C20 N3 Co4 127.6(5) 16_565 . ?
C20 N3 Co4 127.6(5) . . ?
C22 N4 C22 108.2(10) . 10 ?
C22 N4 Co4 125.9(5) . . ?
C22 N4 Co4 125.9(5) 10 . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        10.09
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.767
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.079

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.011 -0.004 -0.013 8450 3774 ' '
_platon_squeeze_details          
;
;
_vrf_THETM01_275                 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The lack of high angle diffraction data (despite of using
synchrotron source and trying several crystals) can be attributed to
the presence of the ligand / solvent disorder.
;
_vrf_PLAT023_275                 
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6].. 10.09 Deg.
RESPONSE: The lack of high angle diffraction data (despite of using
synchrotron source and trying several crystals) can be attributed to
the presence of the ligand / solvent disorder.
;