# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Co(BTB)
_database_code_depnum_ccdc_archive 'CCDC 2213727'
loop_
_audit_author_name
_audit_author_address
'yin chen'
;CSU
China
;
_audit_update_record             
;
2022-10-18 deposited with the CCDC.	2022-12-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            Co(BTB)
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C162 H148 Co11 O60'
_chemical_formula_weight         3703.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -0.6628 2.9049 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   47.157(2)
_cell_length_b                   37.3453(18)
_cell_length_c                   33.8014(16)
_cell_angle_alpha                90
_cell_angle_beta                 97.123(3)
_cell_angle_gamma                90
_cell_volume                     59068(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    9805
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      36.54

_exptl_crystal_description       block
_exptl_crystal_colour            reddish
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.416
_exptl_crystal_F_000             7588
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.789
_shelx_estimated_absorpt_T_min   0.841
_shelx_estimated_absorpt_T_max   0.841
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            366169
_diffrn_reflns_av_unetI/netI     0.1366
_diffrn_reflns_av_R_equivalents  0.1779
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.677
_diffrn_reflns_theta_max         50.004
_diffrn_reflns_theta_full        50.004
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             45744
_reflns_number_gt                16051
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+100.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         45744
_refine_ls_number_parameters     906
_refine_ls_number_restraints     1791
_refine_ls_R_factor_all          0.1940
_refine_ls_R_factor_gt           0.1097
_refine_ls_wR_factor_ref         0.3146
_refine_ls_wR_factor_gt          0.2742
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.21887(11) -0.01923(14) 0.8897(2) 0.192(3) Uani 1 1 d . U . . .
O2 O 0.27427(13) -0.05376(14) 0.89737(15) 0.166(2) Uani 1 1 d . U . . .
O3 O 0.37414(14) 0.4454(2) 0.9111(2) 0.247(3) Uani 1 1 d . U . . .
O4 O 0.33631(18) 0.3820(2) 0.9302(2) 0.256(3) Uani 1 1 d . U . . .
O5 O 0.23621(15) 0.51082(17) 0.8687(2) 0.227(3) Uani 1 1 d . U . . .
O6 O 0.49484(12) 0.74342(16) 0.58698(14) 0.162(2) Uani 1 1 d . U . . .
O7 O 0.34273(16) 0.9161(2) 0.3880(3) 0.245(3) Uani 1 1 d . U . . .
O8 O 0.29345(17) 0.53530(18) 0.8948(2) 0.220(3) Uani 1 1 d . U . . .
O9 O 0.35903(14) 0.9924(2) 0.3729(2) 0.223(3) Uani 1 1 d . U . . .
O10 O 0.33303(17) 0.9419(2) 0.3097(2) 0.242(3) Uani 1 1 d . U . . .
O11 O 0.35645(15) 0.3918(2) 0.8501(3) 0.255(3) Uani 1 1 d . U . . .
O12 O 0.52619(11) 0.80351(15) 0.62854(18) 0.170(2) Uani 1 1 d . U . . .
Co1 Co 0.33291(3) 0.42655(5) 0.88528(5) 0.1906(7) Uani 1 1 d . U . . .
Co2 Co 0.27542(3) 0.48093(4) 0.88022(3) 0.1566(6) Uani 1 1 d . U . . .
Co3 Co 0.25979(2) 0.00039(3) 0.88077(3) 0.1163(4) Uani 1 1 d . U . . .
Co4 Co 0.500000 0.75938(3) 0.750000 0.0865(4) Uani 1 2 d S TU P . .
Co5 Co 0.50591(2) 0.75544(2) 0.64733(3) 0.0916(3) Uani 1 1 d . U . . .
Co6 Co 0.32163(3) 0.95664(4) 0.36854(5) 0.1755(6) Uani 1 1 d . U . . .
C1_1 C 0.26067(19) 0.0778(2) 0.8596(2) 0.124(2) Uani 1 1 d . U . . .
C2_1 C 0.24474(10) 0.11176(11) 0.84803(15) 0.119(2) Uani 1 1 d G U . . .
C3_1 C 0.21532(10) 0.11403(11) 0.84810(14) 0.121(2) Uani 1 1 d G U . . .
H3_1 H 0.204926 0.093783 0.854412 0.145 Uiso 1 1 calc R U . . .
C4_1 C 0.20128(7) 0.14624(14) 0.83883(14) 0.120(2) Uani 1 1 d G U . . .
H4_1 H 0.181386 0.147773 0.838876 0.144 Uiso 1 1 calc R U . . .
C5_1 C 0.21665(10) 0.17618(11) 0.82949(14) 0.113(2) Uani 1 1 d G U . . .
C6_1 C 0.24606(9) 0.17391(12) 0.82943(15) 0.127(2) Uani 1 1 d G U . . .
H6_1 H 0.256460 0.194162 0.823112 0.153 Uiso 1 1 calc R U . . .
C7_1 C 0.26011(7) 0.14171(14) 0.83869(15) 0.131(2) Uani 1 1 d G U . . .
H7_1 H 0.280001 0.140172 0.838648 0.157 Uiso 1 1 calc R U . . .
C8_1 C 0.20179(9) 0.21226(10) 0.81925(14) 0.1117(19) Uani 1 1 d G U . . .
C9_1 C 0.17446(9) 0.21305(10) 0.79843(14) 0.1069(19) Uani 1 1 d G U . . .
H9_1 H 0.164957 0.191519 0.790906 0.128 Uiso 1 1 calc R U . . .
C10_1 C 0.16119(7) 0.24566(12) 0.78873(13) 0.1042(18) Uani 1 1 d G U . . .
C11_1 C 0.17524(9) 0.27750(10) 0.79986(14) 0.1075(19) Uani 1 1 d G U . . .
H11_1 H 0.166266 0.299553 0.793304 0.129 Uiso 1 1 calc R U . . .
C12_1 C 0.20257(9) 0.27671(10) 0.82068(14) 0.1102(19) Uani 1 1 d G U . . .
C13_1 C 0.21585(7) 0.24409(13) 0.83038(14) 0.116(2) Uani 1 1 d G U . . .
H13_1 H 0.234327 0.243563 0.844457 0.139 Uiso 1 1 calc R U . . .
C14_1 C 0.21911(9) 0.31086(11) 0.83174(14) 0.1080(19) Uani 1 1 d G U . . .
C15_1 C 0.24831(10) 0.31127(11) 0.82929(14) 0.123(2) Uani 1 1 d G U . . .
H15_1 H 0.257442 0.290558 0.821389 0.147 Uiso 1 1 calc R U . . .
C16_1 C 0.26402(7) 0.34231(14) 0.83852(14) 0.126(2) Uani 1 1 d G U . . .
H16_1 H 0.283766 0.342587 0.836860 0.152 Uiso 1 1 calc R U . . .
C17_1 C 0.25051(10) 0.37294(11) 0.85019(14) 0.114(2) Uani 1 1 d G U . . .
C18_1 C 0.22131(11) 0.37254(11) 0.85264(13) 0.114(2) Uani 1 1 d G U . . .
H18_1 H 0.212180 0.393251 0.860540 0.137 Uiso 1 1 calc R U . . .
C19_1 C 0.20561(7) 0.34150(14) 0.84341(14) 0.118(2) Uani 1 1 d G U . . .
H19_1 H 0.185856 0.341222 0.845070 0.141 Uiso 1 1 calc R U . . .
C20_1 C 0.2688(2) 0.4062(3) 0.8601(2) 0.122(2) Uani 1 1 d . U . . .
C21_1 C 0.13237(7) 0.24566(12) 0.76438(13) 0.1011(18) Uani 1 1 d G U . . .
C22_1 C 0.12691(8) 0.22303(11) 0.73166(14) 0.119(2) Uani 1 1 d G U . . .
H22_1 H 0.141259 0.207545 0.724879 0.142 Uiso 1 1 calc R U . . .
C23_1 C 0.10022(9) 0.22332(11) 0.70898(12) 0.111(2) Uani 1 1 d G U . . .
H23_1 H 0.096529 0.208018 0.686860 0.133 Uiso 1 1 calc R U . . .
C24_1 C 0.07900(7) 0.24622(12) 0.71901(12) 0.0962(17) Uani 1 1 d G U . . .
C25_1 C 0.08447(8) 0.26884(11) 0.75173(14) 0.111(2) Uani 1 1 d G U . . .
H25_1 H 0.070119 0.284332 0.758509 0.134 Uiso 1 1 calc R U . . .
C26_1 C 0.11115(9) 0.26856(11) 0.77441(12) 0.117(2) Uani 1 1 d G U . . .
H26_1 H 0.114849 0.283859 0.796529 0.140 Uiso 1 1 calc R U . . .
C27_1 C 0.05030(15) 0.2481(2) 0.6937(2) 0.0988(19) Uani 1 1 d . U . . .
O1_1 O 0.28743(11) 0.07821(13) 0.86061(17) 0.1425(18) Uani 1 1 d . U . . .
O2_1 O 0.24559(10) 0.05094(14) 0.86523(14) 0.1193(15) Uani 1 1 d . U . . .
O3_1 O 0.04809(9) 0.23379(14) 0.65978(15) 0.1187(15) Uani 1 1 d . U . . .
O4_1 O 0.02979(8) 0.26254(12) 0.70505(12) 0.0996(13) Uani 1 1 d . U . . .
O5_1 O 0.29468(12) 0.40408(14) 0.86000(16) 0.1358(16) Uani 1 1 d . U . . .
O6_1 O 0.25456(10) 0.43344(14) 0.86988(14) 0.1212(15) Uani 1 1 d . U . . .
C1_2 C 0.3127(3) 0.4850(2) 0.8270(3) 0.171(3) Uani 1 1 d . U . . .
H1_2 H 0.316730 0.506464 0.843918 0.206 Uiso 1 1 calc R U . . .
C2_2 C 0.31988(13) 0.50227(14) 0.78334(14) 0.156(3) Uani 1 1 d G U . . .
C3_2 C 0.30047(9) 0.51149(14) 0.75057(18) 0.150(3) Uani 1 1 d G U . . .
H3_2 H 0.280949 0.506323 0.750464 0.180 Uiso 1 1 calc R U . . .
C4_2 C 0.30992(11) 0.52835(13) 0.71795(14) 0.131(2) Uani 1 1 d G U . . .
H4_2 H 0.296786 0.534580 0.695791 0.157 Uiso 1 1 calc R U . . .
C5_2 C 0.33878(12) 0.53599(13) 0.71811(13) 0.125(2) Uani 1 1 d G U . . .
C6_2 C 0.35819(9) 0.52677(14) 0.75088(16) 0.147(3) Uani 1 1 d G U . . .
H6_2 H 0.377708 0.531933 0.750980 0.177 Uiso 1 1 calc R U . . .
C7_2 C 0.34874(12) 0.50991(14) 0.78349(13) 0.154(3) Uani 1 1 d G U . . .
H7_2 H 0.361871 0.503676 0.805654 0.185 Uiso 1 1 calc R U . . .
C8_2 C 0.34954(9) 0.55628(11) 0.68386(11) 0.1053(18) Uani 1 1 d G U . . .
C9_2 C 0.33788(8) 0.54849(10) 0.64502(14) 0.1006(18) Uani 1 1 d G U . . .
H9_2 H 0.323378 0.531196 0.640247 0.121 Uiso 1 1 calc R U . . .
C10_2 C 0.34766(9) 0.56628(12) 0.61322(10) 0.0997(17) Uani 1 1 d G U . . .
C11_2 C 0.36911(9) 0.59186(11) 0.62028(11) 0.1008(18) Uani 1 1 d G U . . .
H11_2 H 0.375726 0.603887 0.598775 0.121 Uiso 1 1 calc R U . . .
C12_2 C 0.38077(8) 0.59965(10) 0.65912(14) 0.0992(17) Uani 1 1 d G U . . .
C13_2 C 0.37099(9) 0.58186(12) 0.69092(10) 0.0995(18) Uani 1 1 d G U . . .
H13_2 H 0.378872 0.587126 0.717188 0.119 Uiso 1 1 calc R U . . .
C14_2 C 0.40460(8) 0.62711(11) 0.66724(14) 0.1022(18) Uani 1 1 d G U . . .
C15_2 C 0.42519(10) 0.63031(11) 0.64138(11) 0.116(2) Uani 1 1 d G U . . .
H15_2 H 0.424342 0.615584 0.618709 0.139 Uiso 1 1 calc R U . . .
C16_2 C 0.44705(8) 0.65527(12) 0.64904(12) 0.112(2) Uani 1 1 d G U . . .
H16_2 H 0.460972 0.657433 0.631553 0.135 Uiso 1 1 calc R U . . .
C17_2 C 0.44830(8) 0.67705(10) 0.68257(13) 0.0919(16) Uani 1 1 d G U . . .
C18_2 C 0.42771(10) 0.67385(11) 0.70843(11) 0.1088(19) Uani 1 1 d G U . . .
H18_2 H 0.428563 0.688576 0.731104 0.131 Uiso 1 1 calc R U . . .
C19_2 C 0.40586(8) 0.64889(13) 0.70077(12) 0.115(2) Uani 1 1 d G U . . .
H19_2 H 0.391932 0.646727 0.718260 0.138 Uiso 1 1 calc R U . . .
C20_2 C 0.47122(14) 0.70566(18) 0.6911(3) 0.0932(18) Uani 1 1 d . U . . .
C21_2 C 0.33491(11) 0.55908(12) 0.57072(11) 0.1050(18) Uani 1 1 d G U . . .
C22_2 C 0.30624(10) 0.54961(14) 0.56329(13) 0.130(2) Uani 1 1 d G U . . .
H22_2 H 0.295004 0.548618 0.584380 0.156 Uiso 1 1 calc R U . . .
C23_2 C 0.29417(8) 0.54160(14) 0.52468(16) 0.147(3) Uani 1 1 d G U . . .
H23_2 H 0.274785 0.535191 0.519661 0.176 Uiso 1 1 calc R U . . .
C24_2 C 0.31078(12) 0.54306(14) 0.49350(12) 0.129(2) Uani 1 1 d G U . . .
C25_2 C 0.33945(11) 0.55254(14) 0.50093(13) 0.136(2) Uani 1 1 d G U . . .
H25_2 H 0.350686 0.553528 0.479840 0.163 Uiso 1 1 calc R U . . .
C26_2 C 0.35152(8) 0.56055(13) 0.53954(15) 0.121(2) Uani 1 1 d G U . . .
H26_2 H 0.370906 0.566956 0.544559 0.146 Uiso 1 1 calc R U . . .
C27_2 C 0.2958(2) 0.5328(3) 0.4515(3) 0.141(3) Uani 1 1 d . U . . .
O1_2 O 0.33161(13) 0.4621(2) 0.84723(19) 0.191(2) Uani 1 1 d . U . . .
O2_2 O 0.28481(17) 0.48675(19) 0.8219(2) 0.195(2) Uani 1 1 d . U . . .
O3_2 O 0.27311(14) 0.51976(19) 0.44635(18) 0.176(2) Uani 1 1 d . U . . .
O4_2 O 0.30989(13) 0.53977(14) 0.42429(17) 0.1392(18) Uani 1 1 d . U . . .
O5_2 O 0.48593(9) 0.71001(11) 0.66230(14) 0.1103(13) Uani 1 1 d . U . . .
O6_2 O 0.47389(8) 0.72083(12) 0.72227(13) 0.0983(13) Uani 1 1 d . U . . .
C1_3 C 0.46433(14) 0.80295(19) 0.6843(2) 0.0946(17) Uani 1 1 d . U . . .
C2_3 C 0.43935(8) 0.82697(11) 0.67572(14) 0.1003(18) Uani 1 1 d G U . . .
C3_3 C 0.42089(10) 0.82501(12) 0.64038(12) 0.126(2) Uani 1 1 d G U . . .
H3_3 H 0.424137 0.808089 0.620848 0.152 Uiso 1 1 calc R U . . .
C4_3 C 0.39764(9) 0.84806(13) 0.63393(11) 0.132(2) Uani 1 1 d G U . . .
H4_3 H 0.385154 0.846730 0.610032 0.158 Uiso 1 1 calc R U . . .
C5_3 C 0.39284(8) 0.87308(12) 0.66282(14) 0.1059(19) Uani 1 1 d G U . . .
C6_3 C 0.41130(10) 0.87504(12) 0.69815(12) 0.120(2) Uani 1 1 d G U . . .
H6_3 H 0.408058 0.891958 0.717689 0.144 Uiso 1 1 calc R U . . .
C7_3 C 0.43456(9) 0.85199(13) 0.70461(11) 0.120(2) Uani 1 1 d G U . . .
H7_3 H 0.447041 0.853318 0.728505 0.144 Uiso 1 1 calc R U . . .
C8_3 C 0.36888(8) 0.89969(10) 0.65531(14) 0.0994(17) Uani 1 1 d G U . . .
C9_3 C 0.35853(9) 0.90983(12) 0.61664(11) 0.1001(18) Uani 1 1 d G U . . .
H9_3 H 0.366580 0.900084 0.594931 0.120 Uiso 1 1 calc R U . . .
C10_3 C 0.33629(9) 0.93437(12) 0.61006(10) 0.0996(18) Uani 1 1 d G U . . .
C11_3 C 0.32439(8) 0.94877(10) 0.64215(14) 0.1028(18) Uani 1 1 d G U . . .
H11_3 H 0.309345 0.965368 0.637702 0.123 Uiso 1 1 calc R U . . .
C12_3 C 0.33474(9) 0.93864(11) 0.68083(11) 0.1042(18) Uani 1 1 d G U . . .
C13_3 C 0.35698(9) 0.91410(12) 0.68741(10) 0.1057(19) Uani 1 1 d G U . . .
H13_3 H 0.363982 0.907243 0.713560 0.127 Uiso 1 1 calc R U . . .
C14_3 C 0.32162(11) 0.95295(13) 0.71505(12) 0.117(2) Uani 1 1 d G U . . .
C15_3 C 0.29218(11) 0.95749(13) 0.71232(13) 0.126(2) Uani 1 1 d G U . . .
H15_3 H 0.280614 0.952306 0.688322 0.152 Uiso 1 1 calc R U . . .
C16_3 C 0.27986(9) 0.96970(14) 0.74509(17) 0.144(2) Uani 1 1 d G U . . .
H16_3 H 0.259953 0.972771 0.743248 0.172 Uiso 1 1 calc R U . . .
C17_3 C 0.29697(12) 0.97737(14) 0.78058(13) 0.142(2) Uani 1 1 d DG U . . .
C18_3 C 0.32640(12) 0.97283(14) 0.78331(12) 0.146(3) Uani 1 1 d G U . . .
H18_3 H 0.337969 0.978022 0.807307 0.176 Uiso 1 1 calc R U . . .
C19_3 C 0.33873(8) 0.96063(13) 0.75054(16) 0.137(2) Uani 1 1 d G U . . .
H19_3 H 0.358630 0.957557 0.752382 0.164 Uiso 1 1 calc R U . . .
C20_3 C 0.2803(2) 0.9877(3) 0.8160(2) 0.149(3) Uani 1 1 d D U . . .
C21_3 C 0.32582(10) 0.94613(12) 0.56747(11) 0.1080(19) Uani 1 1 d G U . . .
C22_3 C 0.34405(8) 0.94563(13) 0.53816(15) 0.132(2) Uani 1 1 d G U . . .
H22_3 H 0.363190 0.938524 0.544590 0.158 Uiso 1 1 calc R U . . .
C23_3 C 0.33398(11) 0.95564(14) 0.49935(13) 0.136(2) Uani 1 1 d G U . . .
H23_3 H 0.346306 0.955299 0.479526 0.163 Uiso 1 1 calc R U . . .
C24_3 C 0.30568(12) 0.96615(13) 0.48984(11) 0.134(2) Uani 1 1 d DG U . . .
C25_3 C 0.28745(8) 0.96665(13) 0.51915(15) 0.130(2) Uani 1 1 d G U . . .
H25_3 H 0.268309 0.973755 0.512727 0.156 Uiso 1 1 calc R U . . .
C26_3 C 0.29752(10) 0.95664(13) 0.55797(13) 0.122(2) Uani 1 1 d G U . . .
H26_3 H 0.285193 0.956980 0.577791 0.146 Uiso 1 1 calc R U . . .
C27_3 C 0.2945(3) 0.9762(3) 0.4461(2) 0.155(3) Uani 1 1 d D U . . .
O1_3 O 0.47109(9) 0.78608(13) 0.65401(14) 0.1173(14) Uani 1 1 d . U . . .
O2_3 O 0.47663(8) 0.79921(11) 0.71754(13) 0.1001(12) Uani 1 1 d . U . . .
O3_3 O 0.29597(13) 0.99776(13) 0.84464(16) 0.1474(19) Uani 1 1 d . U . . .
O4_3 O 0.25409(14) 0.98237(18) 0.81656(17) 0.170(2) Uani 1 1 d . U . . .
O5_3 O 0.27052(14) 0.98647(15) 0.43842(16) 0.159(2) Uani 1 1 d . U . . .
O6_3 O 0.31491(15) 0.9697(2) 0.4213(2) 0.198(2) Uani 1 1 d . U . . .


_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
O1 Co3 2.121(6) . ?
O2 Co3 2.185(5) . ?
O3 Co1 2.149(7) . ?
O4 Co1 2.246(7) . ?
O5 Co2 2.153(7) . ?
O6 Co5 2.091(5) . ?
O7 Co6 1.885(8) . ?
O8 Co2 2.233(6) . ?
O9 Co6 2.202(7) . ?
O10 Co6 2.196(8) . ?
O11 Co1 2.158(8) . ?
O12 Co5 2.166(5) . ?
Co1 O1_2 1.845(8) . ?
Co1 O5_1 2.074(5) . ?
Co1 O4_2 2.203(7) 6_566 ?
Co2 O6_1 2.037(5) . ?
Co2 O2_2 2.085(7) . ?
Co2 O4_2 2.204(5) 6_566 ?
Co2 O3_2 2.251(6) 6_566 ?
Co3 O5_3 2.012(5) 6_566 ?
Co3 O2_1 2.050(5) . ?
Co3 O3_3 2.220(6) 1_545 ?
Co3 O4_3 2.257(6) 1_545 ?
Co4 O6_2 2.044(4) . ?
Co4 O6_2 2.045(4) 2_656 ?
Co4 O2_3 2.081(4) 2_656 ?
Co4 O2_3 2.081(4) . ?
Co4 O4_1 2.197(4) 3 ?
Co4 O4_1 2.197(4) 4_556 ?
Co5 O5_2 2.035(5) . ?
Co5 O1_3 2.037(5) . ?
Co5 O3_1 2.140(4) 3 ?
Co5 O4_1 2.145(4) 3 ?
Co5 C27_1 2.470(7) 3 ?
Co6 O6_3 1.914(8) . ?
Co6 O1_1 2.064(5) 6_565 ?
Co6 O3_3 2.185(6) 6_575 ?
C1_1 O1_1 1.258(8) . ?
C1_1 O2_1 1.259(9) . ?
C1_1 C2_1 1.499(9) . ?
C2_1 C3_1 1.3900 . ?
C2_1 C7_1 1.3900 . ?
C3_1 C4_1 1.3900 . ?
C3_1 H3_1 0.9400 . ?
C4_1 C5_1 1.3900 . ?
C4_1 H4_1 0.9400 . ?
C5_1 C6_1 1.3900 . ?
C5_1 C8_1 1.538(4) . ?
C6_1 C7_1 1.3900 . ?
C6_1 H6_1 0.9400 . ?
C7_1 H7_1 0.9400 . ?
C8_1 C9_1 1.3900 . ?
C8_1 C13_1 1.3900 . ?
C9_1 C10_1 1.3900 . ?
C9_1 H9_1 0.9400 . ?
C10_1 C11_1 1.3900 . ?
C10_1 C21_1 1.499(4) . ?
C11_1 C12_1 1.3900 . ?
C11_1 H11_1 0.9400 . ?
C12_1 C13_1 1.3900 . ?
C12_1 C14_1 1.517(4) . ?
C13_1 H13_1 0.9400 . ?
C14_1 C15_1 1.3900 . ?
C14_1 C19_1 1.3900 . ?
C15_1 C16_1 1.3900 . ?
C15_1 H15_1 0.9400 . ?
C16_1 C17_1 1.3900 . ?
C16_1 H16_1 0.9400 . ?
C17_1 C18_1 1.3900 . ?
C17_1 C20_1 1.525(9) . ?
C18_1 C19_1 1.3900 . ?
C18_1 H18_1 0.9400 . ?
C19_1 H19_1 0.9400 . ?
C20_1 O5_1 1.225(9) . ?
C20_1 O6_1 1.283(9) . ?
C21_1 C22_1 1.3900 . ?
C21_1 C26_1 1.3900 . ?
C22_1 C23_1 1.3900 . ?
C22_1 H22_1 0.9400 . ?
C23_1 C24_1 1.3900 . ?
C23_1 H23_1 0.9400 . ?
C24_1 C25_1 1.3900 . ?
C24_1 C27_1 1.510(7) . ?
C25_1 C26_1 1.3900 . ?
C25_1 H25_1 0.9400 . ?
C26_1 H26_1 0.9400 . ?
C27_1 O4_1 1.210(7) . ?
C27_1 O3_1 1.258(7) . ?
C1_2 O2_2 1.308(11) . ?
C1_2 O1_2 1.355(11) . ?
C1_2 C2_2 1.682(10) . ?
C1_2 H1_2 0.9900 . ?
C2_2 C3_2 1.3900 . ?
C2_2 C7_2 1.3900 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9400 . ?
C4_2 C5_2 1.3900 . ?
C4_2 H4_2 0.9400 . ?
C5_2 C6_2 1.3900 . ?
C5_2 C8_2 1.522(5) . ?
C6_2 C7_2 1.3900 . ?
C6_2 H6_2 0.9400 . ?
C7_2 H7_2 0.9400 . ?
C8_2 C9_2 1.3900 . ?
C8_2 C13_2 1.3900 . ?
C9_2 C10_2 1.3900 . ?
C9_2 H9_2 0.9400 . ?
C10_2 C11_2 1.3900 . ?
C10_2 C21_2 1.511(4) . ?
C11_2 C12_2 1.3900 . ?
C11_2 H11_2 0.9400 . ?
C12_2 C13_2 1.3900 . ?
C12_2 C14_2 1.521(4) . ?
C13_2 H13_2 0.9400 . ?
C14_2 C15_2 1.3900 . ?
C14_2 C19_2 1.3900 . ?
C15_2 C16_2 1.3900 . ?
C15_2 H15_2 0.9400 . ?
C16_2 C17_2 1.3900 . ?
C16_2 H16_2 0.9400 . ?
C17_2 C18_2 1.3900 . ?
C17_2 C20_2 1.522(7) . ?
C18_2 C19_2 1.3900 . ?
C18_2 H18_2 0.9400 . ?
C19_2 H19_2 0.9400 . ?
C20_2 O6_2 1.189(7) . ?
C20_2 O5_2 1.275(7) . ?
C21_2 C22_2 1.3900 . ?
C21_2 C26_2 1.3900 . ?
C22_2 C23_2 1.3900 . ?
C22_2 H22_2 0.9400 . ?
C23_2 C24_2 1.3900 . ?
C23_2 H23_2 0.9400 . ?
C24_2 C25_2 1.3900 . ?
C24_2 C27_2 1.555(10) . ?
C25_2 C26_2 1.3900 . ?
C25_2 H25_2 0.9400 . ?
C26_2 H26_2 0.9400 . ?
C27_2 O3_2 1.166(10) . ?
C27_2 O4_2 1.229(10) . ?
C1_3 O2_3 1.206(7) . ?
C1_3 O1_3 1.277(7) . ?
C1_3 C2_3 1.481(7) . ?
C2_3 C3_3 1.3900 . ?
C2_3 C7_3 1.3900 . ?
C3_3 C4_3 1.3900 . ?
C3_3 H3_3 0.9400 . ?
C4_3 C5_3 1.3900 . ?
C4_3 H4_3 0.9400 . ?
C5_3 C6_3 1.3900 . ?
C5_3 C8_3 1.503(4) . ?
C6_3 C7_3 1.3900 . ?
C6_3 H6_3 0.9400 . ?
C7_3 H7_3 0.9400 . ?
C8_3 C9_3 1.3900 . ?
C8_3 C13_3 1.3900 . ?
C9_3 C10_3 1.3900 . ?
C9_3 H9_3 0.9400 . ?
C10_3 C11_3 1.3900 . ?
C10_3 C21_3 1.527(4) . ?
C11_3 C12_3 1.3900 . ?
C11_3 H11_3 0.9400 . ?
C12_3 C13_3 1.3900 . ?
C12_3 C14_3 1.478(5) . ?
C13_3 H13_3 0.9400 . ?
C14_3 C15_3 1.3900 . ?
C14_3 C19_3 1.3900 . ?
C15_3 C16_3 1.3900 . ?
C15_3 H15_3 0.9400 . ?
C16_3 C17_3 1.3900 . ?
C16_3 H16_3 0.9400 . ?
C17_3 C18_3 1.3900 . ?
C17_3 C20_3 1.560(8) . ?
C18_3 C19_3 1.3900 . ?
C18_3 H18_3 0.9400 . ?
C19_3 H19_3 0.9400 . ?
C20_3 O3_3 1.202(9) . ?
C20_3 O4_3 1.255(10) . ?
C21_3 C22_3 1.3900 . ?
C21_3 C26_3 1.3900 . ?
C22_3 C23_3 1.3900 . ?
C22_3 H22_3 0.9400 . ?
C23_3 C24_3 1.3900 . ?
C23_3 H23_3 0.9400 . ?
C24_3 C25_3 1.3900 . ?
C24_3 C27_3 1.553(7) . ?
C25_3 C26_3 1.3900 . ?
C25_3 H25_3 0.9400 . ?
C26_3 H26_3 0.9400 . ?
C27_3 O5_3 1.190(11) . ?
C27_3 O6_3 1.375(12) . ?

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
O1_2 Co1 O5_1 93.0(2) . . ?
O1_2 Co1 O3 89.8(3) . . ?
O5_1 Co1 O3 175.1(3) . . ?
O1_2 Co1 O11 91.4(4) . . ?
O5_1 Co1 O11 90.6(3) . . ?
O3 Co1 O11 85.4(3) . . ?
O1_2 Co1 O4_2 91.7(3) . 6_566 ?
O5_1 Co1 O4_2 90.6(2) . 6_566 ?
O3 Co1 O4_2 93.3(3) . 6_566 ?
O11 Co1 O4_2 176.7(3) . 6_566 ?
O1_2 Co1 O4 177.1(4) . . ?
O5_1 Co1 O4 88.0(3) . . ?
O3 Co1 O4 89.0(3) . . ?
O11 Co1 O4 85.9(3) . . ?
O4_2 Co1 O4 91.0(3) 6_566 . ?
O6_1 Co2 O2_2 94.8(2) . . ?
O6_1 Co2 O5 92.0(2) . . ?
O2_2 Co2 O5 93.1(3) . . ?
O6_1 Co2 O4_2 96.4(2) . 6_566 ?
O2_2 Co2 O4_2 116.8(3) . 6_566 ?
O5 Co2 O4_2 148.0(3) . 6_566 ?
O6_1 Co2 O8 172.8(3) . . ?
O2_2 Co2 O8 89.7(3) . . ?
O5 Co2 O8 82.2(3) . . ?
O4_2 Co2 O8 86.6(2) 6_566 . ?
O6_1 Co2 O3_2 94.5(2) . 6_566 ?
O2_2 Co2 O3_2 169.1(3) . 6_566 ?
O5 Co2 O3_2 92.2(3) . 6_566 ?
O4_2 Co2 O3_2 56.5(2) 6_566 6_566 ?
O8 Co2 O3_2 81.6(3) . 6_566 ?
O5_3 Co3 O2_1 93.4(2) 6_566 . ?
O5_3 Co3 O1 94.0(3) 6_566 . ?
O2_1 Co3 O1 94.6(2) . . ?
O5_3 Co3 O2 86.8(2) 6_566 . ?
O2_1 Co3 O2 179.1(2) . . ?
O1 Co3 O2 84.5(2) . . ?
O5_3 Co3 O3_3 115.2(3) 6_566 1_545 ?
O2_1 Co3 O3_3 98.6(2) . 1_545 ?
O1 Co3 O3_3 146.9(2) . 1_545 ?
O2 Co3 O3_3 82.1(2) . 1_545 ?
O5_3 Co3 O4_3 171.8(2) 6_566 1_545 ?
O2_1 Co3 O4_3 91.8(2) . 1_545 ?
O1 Co3 O4_3 91.9(3) . 1_545 ?
O2 Co3 O4_3 88.1(2) . 1_545 ?
O3_3 Co3 O4_3 57.7(2) 1_545 1_545 ?
O6_2 Co4 O6_2 90.5(2) . 2_656 ?
O6_2 Co4 O2_3 173.89(17) . 2_656 ?
O6_2 Co4 O2_3 90.70(17) 2_656 2_656 ?
O6_2 Co4 O2_3 90.70(17) . . ?
O6_2 Co4 O2_3 173.89(17) 2_656 . ?
O2_3 Co4 O2_3 88.8(2) 2_656 . ?
O6_2 Co4 O4_1 96.97(17) . 3 ?
O6_2 Co4 O4_1 87.39(17) 2_656 3 ?
O2_3 Co4 O4_1 89.08(16) 2_656 3 ?
O2_3 Co4 O4_1 86.52(16) . 3 ?
O6_2 Co4 O4_1 87.39(17) . 4_556 ?
O6_2 Co4 O4_1 96.97(17) 2_656 4_556 ?
O2_3 Co4 O4_1 86.51(16) 2_656 4_556 ?
O2_3 Co4 O4_1 89.08(16) . 4_556 ?
O4_1 Co4 O4_1 173.8(2) 3 4_556 ?
O5_2 Co5 O1_3 92.1(2) . . ?
O5_2 Co5 O6 89.8(2) . . ?
O1_3 Co5 O6 97.0(2) . . ?
O5_2 Co5 O3_1 94.80(19) . 3 ?
O1_3 Co5 O3_1 158.9(2) . 3 ?
O6 Co5 O3_1 103.0(2) . 3 ?
O5_2 Co5 O4_1 94.82(17) . 3 ?
O1_3 Co5 O4_1 99.75(18) . 3 ?
O6 Co5 O4_1 162.46(19) . 3 ?
O3_1 Co5 O4_1 59.84(17) 3 3 ?
O5_2 Co5 O12 177.3(2) . . ?
O1_3 Co5 O12 87.6(2) . . ?
O6 Co5 O12 87.6(2) . . ?
O3_1 Co5 O12 86.41(19) 3 . ?
O4_1 Co5 O12 87.9(2) 3 . ?
O5_2 Co5 C27_1 97.6(2) . 3 ?
O1_3 Co5 C27_1 128.6(2) . 3 ?
O6 Co5 C27_1 133.2(2) . 3 ?
O3_1 Co5 C27_1 30.62(18) 3 3 ?
O4_1 Co5 C27_1 29.34(18) 3 3 ?
O12 Co5 C27_1 84.7(2) . 3 ?
O7 Co6 O6_3 91.2(4) . . ?
O7 Co6 O1_1 84.8(3) . 6_565 ?
O6_3 Co6 O1_1 93.7(3) . 6_565 ?
O7 Co6 O3_3 177.7(3) . 6_575 ?
O6_3 Co6 O3_3 89.9(3) . 6_575 ?
O1_1 Co6 O3_3 93.2(2) 6_565 6_575 ?
O7 Co6 O10 86.3(4) . . ?
O6_3 Co6 O10 175.4(3) . . ?
O1_1 Co6 O10 89.9(3) 6_565 . ?
O3_3 Co6 O10 92.7(3) 6_575 . ?
O7 Co6 O9 94.6(3) . . ?
O6_3 Co6 O9 90.4(3) . . ?
O1_1 Co6 O9 175.8(3) 6_565 . ?
O3_3 Co6 O9 87.4(2) 6_575 . ?
O10 Co6 O9 85.9(3) . . ?
O1_1 C1_1 O2_1 126.0(8) . . ?
O1_1 C1_1 C2_1 117.8(8) . . ?
O2_1 C1_1 C2_1 116.1(7) . . ?
C3_1 C2_1 C7_1 120.0 . . ?
C3_1 C2_1 C1_1 121.3(5) . . ?
C7_1 C2_1 C1_1 118.7(5) . . ?
C4_1 C3_1 C2_1 120.0 . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C3_1 C4_1 C5_1 120.0 . . ?
C3_1 C4_1 H4_1 120.0 . . ?
C5_1 C4_1 H4_1 120.0 . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C6_1 C5_1 C8_1 118.7(4) . . ?
C4_1 C5_1 C8_1 121.3(4) . . ?
C5_1 C6_1 C7_1 120.0 . . ?
C5_1 C6_1 H6_1 120.0 . . ?
C7_1 C6_1 H6_1 120.0 . . ?
C6_1 C7_1 C2_1 120.0 . . ?
C6_1 C7_1 H7_1 120.0 . . ?
C2_1 C7_1 H7_1 120.0 . . ?
C9_1 C8_1 C13_1 120.0 . . ?
C9_1 C8_1 C5_1 120.0(3) . . ?
C13_1 C8_1 C5_1 120.0(3) . . ?
C8_1 C9_1 C10_1 120.0 . . ?
C8_1 C9_1 H9_1 120.0 . . ?
C10_1 C9_1 H9_1 120.0 . . ?
C11_1 C10_1 C9_1 120.0 . . ?
C11_1 C10_1 C21_1 121.2(3) . . ?
C9_1 C10_1 C21_1 118.7(3) . . ?
C10_1 C11_1 C12_1 120.0 . . ?
C10_1 C11_1 H11_1 120.0 . . ?
C12_1 C11_1 H11_1 120.0 . . ?
C13_1 C12_1 C11_1 120.0 . . ?
C13_1 C12_1 C14_1 118.4(3) . . ?
C11_1 C12_1 C14_1 121.5(3) . . ?
C12_1 C13_1 C8_1 120.0 . . ?
C12_1 C13_1 H13_1 120.0 . . ?
C8_1 C13_1 H13_1 120.0 . . ?
C15_1 C14_1 C19_1 120.0 . . ?
C15_1 C14_1 C12_1 118.5(4) . . ?
C19_1 C14_1 C12_1 121.5(4) . . ?
C14_1 C15_1 C16_1 120.0 . . ?
C14_1 C15_1 H15_1 120.0 . . ?
C16_1 C15_1 H15_1 120.0 . . ?
C17_1 C16_1 C15_1 120.0 . . ?
C17_1 C16_1 H16_1 120.0 . . ?
C15_1 C16_1 H16_1 120.0 . . ?
C16_1 C17_1 C18_1 120.0 . . ?
C16_1 C17_1 C20_1 117.8(5) . . ?
C18_1 C17_1 C20_1 122.2(5) . . ?
C19_1 C18_1 C17_1 120.0 . . ?
C19_1 C18_1 H18_1 120.0 . . ?
C17_1 C18_1 H18_1 120.0 . . ?
C18_1 C19_1 C14_1 120.0 . . ?
C18_1 C19_1 H19_1 120.0 . . ?
C14_1 C19_1 H19_1 120.0 . . ?
O5_1 C20_1 O6_1 127.2(9) . . ?
O5_1 C20_1 C17_1 118.8(8) . . ?
O6_1 C20_1 C17_1 113.8(8) . . ?
C22_1 C21_1 C26_1 120.0 . . ?
C22_1 C21_1 C10_1 120.2(4) . . ?
C26_1 C21_1 C10_1 119.8(4) . . ?
C21_1 C22_1 C23_1 120.0 . . ?
C21_1 C22_1 H22_1 120.0 . . ?
C23_1 C22_1 H22_1 120.0 . . ?
C24_1 C23_1 C22_1 120.0 . . ?
C24_1 C23_1 H23_1 120.0 . . ?
C22_1 C23_1 H23_1 120.0 . . ?
C23_1 C24_1 C25_1 120.0 . . ?
C23_1 C24_1 C27_1 120.8(4) . . ?
C25_1 C24_1 C27_1 119.1(4) . . ?
C26_1 C25_1 C24_1 120.0 . . ?
C26_1 C25_1 H25_1 120.0 . . ?
C24_1 C25_1 H25_1 120.0 . . ?
C25_1 C26_1 C21_1 120.0 . . ?
C25_1 C26_1 H26_1 120.0 . . ?
C21_1 C26_1 H26_1 120.0 . . ?
O4_1 C27_1 O3_1 119.9(7) . . ?
O4_1 C27_1 C24_1 122.5(7) . . ?
O3_1 C27_1 C24_1 117.6(6) . . ?
O4_1 C27_1 Co5 60.3(4) . 3_445 ?
O3_1 C27_1 Co5 60.0(4) . 3_445 ?
C24_1 C27_1 Co5 173.7(5) . 3_445 ?
C1_1 O1_1 Co6 139.6(6) . 6_566 ?
C1_1 O2_1 Co3 127.0(5) . . ?
C27_1 O3_1 Co5 89.4(4) . 3_445 ?
C27_1 O4_1 Co5 90.4(4) . 3_445 ?
C27_1 O4_1 Co4 143.1(5) . 3_445 ?
Co5 O4_1 Co4 108.29(17) 3_445 3_445 ?
C20_1 O5_1 Co1 142.1(6) . . ?
C20_1 O6_1 Co2 118.5(5) . . ?
O2_2 C1_2 O1_2 133.3(8) . . ?
O2_2 C1_2 C2_2 100.0(9) . . ?
O1_2 C1_2 C2_2 119.6(10) . . ?
O2_2 C1_2 H1_2 98.7 . . ?
O1_2 C1_2 H1_2 98.7 . . ?
C2_2 C1_2 H1_2 98.7 . . ?
C3_2 C2_2 C7_2 120.0 . . ?
C3_2 C2_2 C1_2 127.6(6) . . ?
C7_2 C2_2 C1_2 112.2(6) . . ?
C4_2 C3_2 C2_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C3_2 C4_2 C5_2 120.0 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 C8_2 121.2(4) . . ?
C6_2 C5_2 C8_2 118.7(4) . . ?
C5_2 C6_2 C7_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C7_2 C6_2 H6_2 120.0 . . ?
C6_2 C7_2 C2_2 120.0 . . ?
C6_2 C7_2 H7_2 120.0 . . ?
C2_2 C7_2 H7_2 120.0 . . ?
C9_2 C8_2 C13_2 120.0 . . ?
C9_2 C8_2 C5_2 118.9(4) . . ?
C13_2 C8_2 C5_2 121.1(4) . . ?
C8_2 C9_2 C10_2 120.0 . . ?
C8_2 C9_2 H9_2 120.0 . . ?
C10_2 C9_2 H9_2 120.0 . . ?
C9_2 C10_2 C11_2 120.0 . . ?
C9_2 C10_2 C21_2 121.3(4) . . ?
C11_2 C10_2 C21_2 118.7(4) . . ?
C12_2 C11_2 C10_2 120.0 . . ?
C12_2 C11_2 H11_2 120.0 . . ?
C10_2 C11_2 H11_2 120.0 . . ?
C13_2 C12_2 C11_2 120.0 . . ?
C13_2 C12_2 C14_2 119.4(3) . . ?
C11_2 C12_2 C14_2 120.6(3) . . ?
C12_2 C13_2 C8_2 120.0 . . ?
C12_2 C13_2 H13_2 120.0 . . ?
C8_2 C13_2 H13_2 120.0 . . ?
C15_2 C14_2 C19_2 120.0 . . ?
C15_2 C14_2 C12_2 120.2(4) . . ?
C19_2 C14_2 C12_2 119.8(4) . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C17_2 C16_2 C15_2 120.0 . . ?
C17_2 C16_2 H16_2 120.0 . . ?
C15_2 C16_2 H16_2 120.0 . . ?
C16_2 C17_2 C18_2 120.0 . . ?
C16_2 C17_2 C20_2 121.6(4) . . ?
C18_2 C17_2 C20_2 118.4(4) . . ?
C19_2 C18_2 C17_2 120.0 . . ?
C19_2 C18_2 H18_2 120.0 . . ?
C17_2 C18_2 H18_2 120.0 . . ?
C18_2 C19_2 C14_2 120.0 . . ?
C18_2 C19_2 H19_2 120.0 . . ?
C14_2 C19_2 H19_2 120.0 . . ?
O6_2 C20_2 O5_2 127.5(7) . . ?
O6_2 C20_2 C17_2 119.9(7) . . ?
O5_2 C20_2 C17_2 112.7(6) . . ?
C22_2 C21_2 C26_2 120.0 . . ?
C22_2 C21_2 C10_2 118.7(4) . . ?
C26_2 C21_2 C10_2 121.2(4) . . ?
C23_2 C22_2 C21_2 120.0 . . ?
C23_2 C22_2 H22_2 120.0 . . ?
C21_2 C22_2 H22_2 120.0 . . ?
C24_2 C23_2 C22_2 120.0 . . ?
C24_2 C23_2 H23_2 120.0 . . ?
C22_2 C23_2 H23_2 120.0 . . ?
C25_2 C24_2 C23_2 120.0 . . ?
C25_2 C24_2 C27_2 123.4(6) . . ?
C23_2 C24_2 C27_2 116.6(6) . . ?
C24_2 C25_2 C26_2 120.0 . . ?
C24_2 C25_2 H25_2 120.0 . . ?
C26_2 C25_2 H25_2 120.0 . . ?
C25_2 C26_2 C21_2 120.0 . . ?
C25_2 C26_2 H26_2 120.0 . . ?
C21_2 C26_2 H26_2 120.0 . . ?
O3_2 C27_2 O4_2 123.3(11) . . ?
O3_2 C27_2 C24_2 123.0(10) . . ?
O4_2 C27_2 C24_2 113.7(9) . . ?
C1_2 O1_2 Co1 140.2(7) . . ?
C1_2 O2_2 Co2 101.5(7) . . ?
C27_2 O3_2 Co2 89.8(7) . 6_565 ?
C27_2 O4_2 Co1 157.3(7) . 6_565 ?
C27_2 O4_2 Co2 90.4(6) . 6_565 ?
Co1 O4_2 Co2 99.9(2) 6_565 6_565 ?
C20_2 O5_2 Co5 127.5(4) . . ?
C20_2 O6_2 Co4 137.2(5) . . ?
O2_3 C1_3 O1_3 123.4(7) . . ?
O2_3 C1_3 C2_3 122.2(6) . . ?
O1_3 C1_3 C2_3 114.4(6) . . ?
C3_3 C2_3 C7_3 120.0 . . ?
C3_3 C2_3 C1_3 122.4(4) . . ?
C7_3 C2_3 C1_3 117.6(4) . . ?
C4_3 C3_3 C2_3 120.0 . . ?
C4_3 C3_3 H3_3 120.0 . . ?
C2_3 C3_3 H3_3 120.0 . . ?
C3_3 C4_3 C5_3 120.0 . . ?
C3_3 C4_3 H4_3 120.0 . . ?
C5_3 C4_3 H4_3 120.0 . . ?
C6_3 C5_3 C4_3 120.0 . . ?
C6_3 C5_3 C8_3 119.2(3) . . ?
C4_3 C5_3 C8_3 120.7(3) . . ?
C5_3 C6_3 C7_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
C7_3 C6_3 H6_3 120.0 . . ?
C6_3 C7_3 C2_3 120.0 . . ?
C6_3 C7_3 H7_3 120.0 . . ?
C2_3 C7_3 H7_3 120.0 . . ?
C9_3 C8_3 C13_3 120.0 . . ?
C9_3 C8_3 C5_3 120.5(3) . . ?
C13_3 C8_3 C5_3 119.5(3) . . ?
C10_3 C9_3 C8_3 120.0 . . ?
C10_3 C9_3 H9_3 120.0 . . ?
C8_3 C9_3 H9_3 120.0 . . ?
C11_3 C10_3 C9_3 120.0 . . ?
C11_3 C10_3 C21_3 120.6(4) . . ?
C9_3 C10_3 C21_3 119.3(4) . . ?
C10_3 C11_3 C12_3 120.0 . . ?
C10_3 C11_3 H11_3 120.0 . . ?
C12_3 C11_3 H11_3 120.0 . . ?
C13_3 C12_3 C11_3 120.0 . . ?
C13_3 C12_3 C14_3 119.6(4) . . ?
C11_3 C12_3 C14_3 120.4(4) . . ?
C12_3 C13_3 C8_3 120.0 . . ?
C12_3 C13_3 H13_3 120.0 . . ?
C8_3 C13_3 H13_3 120.0 . . ?
C15_3 C14_3 C19_3 120.0 . . ?
C15_3 C14_3 C12_3 120.3(4) . . ?
C19_3 C14_3 C12_3 119.7(4) . . ?
C14_3 C15_3 C16_3 120.0 . . ?
C14_3 C15_3 H15_3 120.0 . . ?
C16_3 C15_3 H15_3 120.0 . . ?
C17_3 C16_3 C15_3 120.0 . . ?
C17_3 C16_3 H16_3 120.0 . . ?
C15_3 C16_3 H16_3 120.0 . . ?
C18_3 C17_3 C16_3 120.0 . . ?
C18_3 C17_3 C20_3 124.9(5) . . ?
C16_3 C17_3 C20_3 114.8(5) . . ?
C17_3 C18_3 C19_3 120.0 . . ?
C17_3 C18_3 H18_3 120.0 . . ?
C19_3 C18_3 H18_3 120.0 . . ?
C18_3 C19_3 C14_3 120.0 . . ?
C18_3 C19_3 H19_3 120.0 . . ?
C14_3 C19_3 H19_3 120.0 . . ?
O3_3 C20_3 O4_3 123.1(8) . . ?
O3_3 C20_3 C17_3 112.2(8) . . ?
O4_3 C20_3 C17_3 124.3(8) . . ?
C22_3 C21_3 C26_3 120.0 . . ?
C22_3 C21_3 C10_3 120.8(4) . . ?
C26_3 C21_3 C10_3 119.2(4) . . ?
C21_3 C22_3 C23_3 120.0 . . ?
C21_3 C22_3 H22_3 120.0 . . ?
C23_3 C22_3 H22_3 120.0 . . ?
C24_3 C23_3 C22_3 120.0 . . ?
C24_3 C23_3 H23_3 120.0 . . ?
C22_3 C23_3 H23_3 120.0 . . ?
C23_3 C24_3 C25_3 120.0 . . ?
C23_3 C24_3 C27_3 119.5(6) . . ?
C25_3 C24_3 C27_3 120.5(6) . . ?
C24_3 C25_3 C26_3 120.0 . . ?
C24_3 C25_3 H25_3 120.0 . . ?
C26_3 C25_3 H25_3 120.0 . . ?
C25_3 C26_3 C21_3 120.0 . . ?
C25_3 C26_3 H26_3 120.0 . . ?
C21_3 C26_3 H26_3 120.0 . . ?
O5_3 C27_3 O6_3 129.9(8) . . ?
O5_3 C27_3 C24_3 119.2(10) . . ?
O6_3 C27_3 C24_3 110.8(9) . . ?
C1_3 O1_3 Co5 130.6(4) . . ?
C1_3 O2_3 Co4 137.4(5) . . ?
C20_3 O3_3 Co6 142.9(7) . 6_576 ?
C20_3 O3_3 Co3 91.1(6) . 1_565 ?
Co6 O3_3 Co3 100.96(19) 6_576 1_565 ?
C20_3 O4_3 Co3 88.1(5) . 1_565 ?
C27_3 O5_3 Co3 114.1(7) . 6_565 ?
C27_3 O6_3 Co6 145.4(6) . . ?

_refine_diff_density_max         0.867
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.062



