# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_n190313b
_database_code_depnum_ccdc_archive 'CCDC 1962614'
loop_
_audit_author_name
_audit_author_address
'En-Cui Yang'
;Tianjin Normal University
China
;
_audit_update_record             
;
2019-10-31 deposited with the CCDC.	2022-08-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H13 Co0.50 O4'
_chemical_formula_weight         286.72

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.6279(16)
_cell_length_b                   7.6810(7)
_cell_length_c                   22.7634(16)
_cell_angle_alpha                90
_cell_angle_beta                 122.541(5)
_cell_angle_gamma                90
_cell_volume                     2598.3(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6639
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      28.21

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            PINK
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_F_000             1188
_exptl_transmission_factor_min   0.859
_exptl_transmission_factor_max   0.882
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.713
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16304
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.370
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5378
_reflns_number_gt                4044
_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. 
  
 _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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0767P)²+0.0147P] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5378
_refine_ls_number_parameters     355
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.1165
_refine_ls_wR_factor_gt          0.1055
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Co1 Co 0.5000 0.5000 0.5000 0.02227(11) Uani 1 2 d S . P . .
Co2 Co 0.5000 0.0000 0.5000 0.02120(11) Uani 1 2 d S . P . .
O1 O 0.57946(8) 0.09496(15) 0.46843(6) 0.0333(3) Uani 1 1 d . . . . .
O2 O 0.56596(8) 0.38463(15) 0.45725(6) 0.0347(3) Uani 1 1 d . . . . .
O3 O 0.38256(8) 0.08202(16) 0.40835(6) 0.0365(3) Uani 1 1 d . . . . .
O4 O 0.32704(9) -0.17067(18) 0.35588(7) 0.0509(4) Uani 1 1 d . . . . .
O5 O 0.49476(8) -0.25337(12) 0.45126(6) 0.0268(3) Uani 1 1 d . . . . .
H5A H 0.5316 -0.2526 0.4380 0.040 Uiso 1 1 d R U . . .
H5B H 0.4423 -0.2406 0.4152 0.040 Uiso 1 1 d R U . . .
O6 O 0.62109(9) 0.57455(18) 0.58501(7) 0.0479(4) Uani 1 1 d . . . . .
H6A H 0.6720 0.5267 0.6116 0.072 Uiso 1 1 d R U . . .
H6B H 0.6285 0.6839 0.5913 0.072 Uiso 1 1 d R U . . .
O7 O 0.63484(16) 0.7418(2) 0.43480(13) 0.0783(7) Uani 1 1 d . . . . .
H7A H 0.6690 0.6627 0.4626 0.117 Uiso 1 1 d R U . . .
H7B H 0.6540 0.8387 0.4558 0.117 Uiso 1 1 d R U . . .
O8 O 0.21289(12) 0.5590(3) 0.31682(10) 0.0906(6) Uani 1 1 d . . . . .
H8A H 0.1694 0.5271 0.2770 0.136 Uiso 1 1 d R U . . .
H8B H 0.2214 0.6671 0.3141 0.136 Uiso 1 1 d R U . . .
C1 C 0.59413(12) 0.24049(19) 0.45175(9) 0.0247(4) Uani 1 1 d . . . . .
C2 C 0.65371(14) 0.23917(19) 0.42309(10) 0.0277(4) Uani 1 1 d . . . . .
C3 C 0.62210(12) 0.1641(2) 0.35753(9) 0.0330(4) Uani 1 1 d . . . . .
C4 C 0.53530(14) 0.0895(3) 0.31563(9) 0.0437(5) Uani 1 1 d . . . . .
H4 H 0.4977 0.0846 0.3326 0.052 Uiso 1 1 calc R U . . .
C5 C 0.50588(16) 0.0251(3) 0.25129(10) 0.0575(8) Uani 1 1 d . . . . .
H5 H 0.4487 -0.0235 0.2250 0.069 Uiso 1 1 calc R U . . .
C6 C 0.5609(2) 0.0311(3) 0.22398(13) 0.0679(7) Uani 1 1 d . . . . .
H6 H 0.5395 -0.0117 0.1795 0.081 Uiso 1 1 calc R U . . .
C7 C 0.6443(2) 0.0983(3) 0.26189(13) 0.0650(7) Uani 1 1 d . . . . .
H7 H 0.6799 0.1005 0.2431 0.078 Uiso 1 1 calc R U . . .
C8 C 0.67993(15) 0.1668(3) 0.33059(11) 0.0459(5) Uani 1 1 d . . . . .
C9 C 0.76531(19) 0.2367(3) 0.37107(16) 0.0550(7) Uani 1 1 d . . . . .
H9 H 0.8025 0.2364 0.3537 0.066 Uiso 1 1 calc R U . . .
C10 C 0.79782(14) 0.3072(3) 0.43656(12) 0.0466(5) Uani 1 1 d . . . . .
C11 C 0.88626(16) 0.3794(4) 0.47906(16) 0.0699(7) Uani 1 1 d . . . . .
H11 H 0.9247 0.3771 0.4629 0.084 Uiso 1 1 calc R U . . .
C12 C 0.91506(16) 0.4500(4) 0.54138(16) 0.0732(8) Uani 1 1 d . . . . .
H12 H 0.9727 0.4970 0.5675 0.088 Uiso 1 1 calc R U . . .
C13 C 0.85878(16) 0.4538(3) 0.56775(13) 0.0591(6) Uani 1 1 d . . . . .
H13 H 0.8795 0.5025 0.6113 0.071 Uiso 1 1 calc R U . . .
C14 C 0.77471(12) 0.3869(3) 0.53005(10) 0.0426(5) Uani 1 1 d . . . . .
H14 H 0.7385 0.3897 0.5483 0.051 Uiso 1 1 calc R U . . .
C15 C 0.74031(11) 0.3121(2) 0.46290(9) 0.0334(4) Uani 1 1 d . . . . .
C16 C 0.31972(12) -0.0131(2) 0.36249(9) 0.0341(4) Uani 1 1 d . . . . .
C17 C 0.23099(12) 0.0746(3) 0.31273(9) 0.0375(4) Uani 1 1 d . . . . .
C18 C 0.21468(13) 0.1383(2) 0.24877(9) 0.0441(5) Uani 1 1 d . . . . .
C19 C 0.27865(16) 0.1246(3) 0.22956(11) 0.0556(6) Uani 1 1 d . . . . .
H19 H 0.3333 0.0698 0.2596 0.067 Uiso 1 1 calc R U . . .
C20 C 0.2618(2) 0.1898(4) 0.16838(13) 0.0734(7) Uani 1 1 d . . . . .
H20 H 0.3050 0.1802 0.1570 0.088 Uiso 1 1 calc R U . . .
C21 C 0.1784(3) 0.2728(4) 0.12149(15) 0.0867(11) Uani 1 1 d . . . . .
H21 H 0.1676 0.3181 0.0797 0.104 Uiso 1 1 calc R U . . .
C22 C 0.1149(2) 0.2865(4) 0.13714(14) 0.0752(9) Uani 1 1 d . . . . .
H22 H 0.0603 0.3397 0.1056 0.090 Uiso 1 1 calc R U . . .
C23 C 0.13000(17) 0.2206(3) 0.20153(12) 0.0562(7) Uani 1 1 d . . . . .
C24 C 0.06701(17) 0.2356(3) 0.21961(14) 0.0627(8) Uani 1 1 d . . . . .
H24 H 0.0118 0.2866 0.1881 0.075 Uiso 1 1 calc R U . . .
C25 C 0.08312(13) 0.1775(3) 0.28283(12) 0.0525(6) Uani 1 1 d . . . . .
C26 C 0.01919(16) 0.1979(4) 0.30285(18) 0.0706(8) Uani 1 1 d . . . . .
H26 H -0.0358 0.2512 0.2722 0.085 Uiso 1 1 calc R U . . .
C27 C 0.03675(18) 0.1424(4) 0.36432(19) 0.0774(8) Uani 1 1 d . . . . .
H27 H -0.0059 0.1579 0.3760 0.093 Uiso 1 1 calc R U . . .
C28 C 0.11932(18) 0.0603(4) 0.41208(15) 0.0678(7) Uani 1 1 d . . . . .
H28 H 0.1304 0.0212 0.4547 0.081 Uiso 1 1 calc R U . . .
C29 C 0.18262(15) 0.0380(3) 0.39604(12) 0.0520(5) Uani 1 1 d . . . . .
H29 H 0.2367 -0.0160 0.4280 0.062 Uiso 1 1 calc R U . . .
C30 C 0.16755(12) 0.0958(2) 0.33125(10) 0.0433(5) Uani 1 1 d . . . . .


_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 O6 2.0458(13) . ?
Co1 O6 2.0459(13) 3_666 ?
Co1 O2 2.0739(11) . ?
Co1 O2 2.0740(11) 3_666 ?
Co1 O5 2.1721(10) 1_565 ?
Co1 O5 2.1721(10) 3_656 ?
Co2 O1 2.0231(11) . ?
Co2 O1 2.0231(11) 3_656 ?
Co2 O3 2.0949(12) . ?
Co2 O3 2.0950(12) 3_656 ?
Co2 O5 2.2173(10) 3_656 ?
Co2 O5 2.2173(10) . ?
O1 C1 1.2516(19) . ?
O2 C1 1.2470(19) . ?
O3 C16 1.268(2) . ?
O4 C16 1.235(2) . ?
O5 Co1 2.1720(10) 1_545 ?
O5 H5A 0.8500 . ?
O5 H5B 0.8499 . ?
O6 H6A 0.8499 . ?
O6 H6B 0.8499 . ?
O7 H7A 0.8500 . ?
O7 H7B 0.8499 . ?
O8 H8A 0.8500 . ?
O8 H8B 0.8520 . ?
C1 C2 1.505(2) . ?
C2 C3 1.405(2) . ?
C2 C15 1.406(3) . ?
C3 C4 1.417(3) . ?
C3 C8 1.445(2) . ?
C4 C5 1.357(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.407(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.345(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.435(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.382(4) . ?
C9 C10 1.388(4) . ?
C9 H9 0.9300 . ?
C10 C15 1.429(3) . ?
C10 C11 1.432(3) . ?
C11 C12 1.338(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.409(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.352(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.427(3) . ?
C14 H14 0.9300 . ?
C16 C17 1.509(3) . ?
C17 C30 1.401(3) . ?
C17 C18 1.411(3) . ?
C18 C19 1.416(3) . ?
C18 C23 1.434(3) . ?
C19 C20 1.354(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.420(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.350(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.434(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(4) . ?
C24 C25 1.382(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.434(4) . ?
C25 C30 1.435(3) . ?
C26 C27 1.330(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.413(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.359(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.422(3) . ?
C29 H29 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Co1 O6 180.0 . 3_666 ?
O6 Co1 O2 90.02(5) . . ?
O6 Co1 O2 89.98(5) 3_666 . ?
O6 Co1 O2 89.98(5) . 3_666 ?
O6 Co1 O2 90.03(5) 3_666 3_666 ?
O2 Co1 O2 180.0 . 3_666 ?
O6 Co1 O5 88.58(5) . 1_565 ?
O6 Co1 O5 91.42(5) 3_666 1_565 ?
O2 Co1 O5 90.78(4) . 1_565 ?
O2 Co1 O5 89.22(4) 3_666 1_565 ?
O6 Co1 O5 91.42(5) . 3_656 ?
O6 Co1 O5 88.58(5) 3_666 3_656 ?
O2 Co1 O5 89.22(4) . 3_656 ?
O2 Co1 O5 90.78(4) 3_666 3_656 ?
O5 Co1 O5 180.0 1_565 3_656 ?
O1 Co2 O1 180.00(7) . 3_656 ?
O1 Co2 O3 92.29(5) . . ?
O1 Co2 O3 87.71(5) 3_656 . ?
O1 Co2 O3 87.71(5) . 3_656 ?
O1 Co2 O3 92.29(5) 3_656 3_656 ?
O3 Co2 O3 180.0 . 3_656 ?
O1 Co2 O5 90.62(5) . 3_656 ?
O1 Co2 O5 89.38(5) 3_656 3_656 ?
O3 Co2 O5 89.27(5) . 3_656 ?
O3 Co2 O5 90.73(5) 3_656 3_656 ?
O1 Co2 O5 89.38(5) . . ?
O1 Co2 O5 90.62(5) 3_656 . ?
O3 Co2 O5 90.73(5) . . ?
O3 Co2 O5 89.27(5) 3_656 . ?
O5 Co2 O5 180.0 3_656 . ?
C1 O1 Co2 136.50(11) . . ?
C1 O2 Co1 141.32(11) . . ?
C16 O3 Co2 127.19(12) . . ?
Co1 O5 Co2 122.08(5) 1_545 . ?
Co1 O5 H5A 110.9 1_545 . ?
Co2 O5 H5A 109.7 . . ?
Co1 O5 H5B 108.6 1_545 . ?
Co2 O5 H5B 96.5 . . ?
H5A O5 H5B 107.4 . . ?
Co1 O6 H6A 135.9 . . ?
Co1 O6 H6B 115.1 . . ?
H6A O6 H6B 107.4 . . ?
H7A O7 H7B 107.4 . . ?
H8A O8 H8B 107.3 . . ?
O2 C1 O1 127.15(16) . . ?
O2 C1 C2 117.26(14) . . ?
O1 C1 C2 115.58(14) . . ?
C3 C2 C15 121.38(16) . . ?
C3 C2 C1 119.50(16) . . ?
C15 C2 C1 119.13(16) . . ?
C2 C3 C4 123.26(15) . . ?
C2 C3 C8 118.52(18) . . ?
C4 C3 C8 118.21(16) . . ?
C5 C4 C3 121.42(18) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 120.3(2) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 121.7(2) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C9 C8 C7 123.3(2) . . ?
C9 C8 C3 119.11(19) . . ?
C7 C8 C3 117.5(2) . . ?
C8 C9 C10 122.70(19) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C15 119.0(2) . . ?
C9 C10 C11 123.2(2) . . ?
C15 C10 C11 117.8(2) . . ?
C12 C11 C10 121.8(2) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 120.5(2) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 121.46(19) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 H14 119.3 . . ?
C2 C15 C14 122.63(16) . . ?
C2 C15 C10 119.23(18) . . ?
C14 C15 C10 118.11(17) . . ?
O4 C16 O3 124.27(17) . . ?
O4 C16 C17 118.70(16) . . ?
O3 C16 C17 117.02(16) . . ?
C30 C17 C18 121.18(17) . . ?
C30 C17 C16 119.92(17) . . ?
C18 C17 C16 118.88(17) . . ?
C17 C18 C19 122.60(18) . . ?
C17 C18 C23 118.6(2) . . ?
C19 C18 C23 118.8(2) . . ?
C20 C19 C18 121.3(2) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 120.3(3) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 121.2(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 122.6(2) . . ?
C24 C23 C18 119.5(2) . . ?
C22 C23 C18 117.9(3) . . ?
C23 C24 C25 122.4(2) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 H24 118.8 . . ?
C24 C25 C26 122.6(2) . . ?
C24 C25 C30 119.2(2) . . ?
C26 C25 C30 118.1(2) . . ?
C27 C26 C25 121.4(2) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 120.9(2) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 121.1(2) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C17 C30 C29 122.82(18) . . ?
C17 C30 C25 119.06(19) . . ?
C29 C30 C25 118.12(19) . . ?

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
Co1 O2 C1 O1 9.2(3) . . . . ?
Co1 O2 C1 C2 -169.70(13) . . . . ?
Co2 O1 C1 O2 8.2(3) . . . . ?
Co2 O1 C1 C2 -172.86(12) . . . . ?
O2 C1 C2 C3 -112.30(18) . . . . ?
O1 C1 C2 C3 68.7(2) . . . . ?
O2 C1 C2 C15 68.2(2) . . . . ?
O1 C1 C2 C15 -110.80(18) . . . . ?
C15 C2 C3 C4 -179.88(17) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C15 C2 C3 C8 -1.5(3) . . . . ?
C1 C2 C3 C8 179.04(15) . . . . ?
C2 C3 C4 C5 177.09(19) . . . . ?
C8 C3 C4 C5 -1.3(3) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C4 C5 C6 C7 1.1(4) . . . . ?
C5 C6 C7 C8 -0.4(4) . . . . ?
C6 C7 C8 C9 179.9(2) . . . . ?
C6 C7 C8 C3 -1.1(3) . . . . ?
C2 C3 C8 C9 2.5(3) . . . . ?
C4 C3 C8 C9 -179.07(19) . . . . ?
C2 C3 C8 C7 -176.54(18) . . . . ?
C4 C3 C8 C7 1.9(3) . . . . ?
C7 C8 C9 C10 178.0(2) . . . . ?
C3 C8 C9 C10 -0.9(3) . . . . ?
C8 C9 C10 C15 -1.5(3) . . . . ?
C8 C9 C10 C11 179.8(2) . . . . ?
C9 C10 C11 C12 178.5(2) . . . . ?
C15 C10 C11 C12 -0.2(4) . . . . ?
C10 C11 C12 C13 0.7(4) . . . . ?
C11 C12 C13 C14 -0.4(4) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
C3 C2 C15 C14 -179.06(17) . . . . ?
C1 C2 C15 C14 0.4(3) . . . . ?
C3 C2 C15 C10 -1.0(3) . . . . ?
C1 C2 C15 C10 178.50(16) . . . . ?
C13 C14 C15 C2 179.0(2) . . . . ?
C13 C14 C15 C10 0.9(3) . . . . ?
C9 C10 C15 C2 2.5(3) . . . . ?
C11 C10 C15 C2 -178.74(19) . . . . ?
C9 C10 C15 C14 -179.33(19) . . . . ?
C11 C10 C15 C14 -0.6(3) . . . . ?
Co2 O3 C16 O4 -18.1(3) . . . . ?
Co2 O3 C16 C17 162.59(12) . . . . ?
O4 C16 C17 C30 94.8(2) . . . . ?
O3 C16 C17 C30 -85.8(2) . . . . ?
O4 C16 C17 C18 -86.9(2) . . . . ?
O3 C16 C17 C18 92.4(2) . . . . ?
C30 C17 C18 C19 177.67(19) . . . . ?
C16 C17 C18 C19 -0.6(3) . . . . ?
C30 C17 C18 C23 -2.1(3) . . . . ?
C16 C17 C18 C23 179.63(17) . . . . ?
C17 C18 C19 C20 -178.8(2) . . . . ?
C23 C18 C19 C20 1.0(3) . . . . ?
C18 C19 C20 C21 -0.5(4) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C21 C22 C23 1.0(4) . . . . ?
C21 C22 C23 C24 178.7(3) . . . . ?
C21 C22 C23 C18 -0.5(4) . . . . ?
C17 C18 C23 C24 0.0(3) . . . . ?
C19 C18 C23 C24 -179.77(19) . . . . ?
C17 C18 C23 C22 179.3(2) . . . . ?
C19 C18 C23 C22 -0.5(3) . . . . ?
C22 C23 C24 C25 -177.6(2) . . . . ?
C18 C23 C24 C25 1.6(3) . . . . ?
C23 C24 C25 C26 177.8(2) . . . . ?
C23 C24 C25 C30 -1.1(3) . . . . ?
C24 C25 C26 C27 -179.3(2) . . . . ?
C30 C25 C26 C27 -0.3(4) . . . . ?
C25 C26 C27 C28 -0.3(4) . . . . ?
C26 C27 C28 C29 0.6(4) . . . . ?
C27 C28 C29 C30 -0.2(4) . . . . ?
C18 C17 C30 C29 -178.12(18) . . . . ?
C16 C17 C30 C29 0.1(3) . . . . ?
C18 C17 C30 C25 2.6(3) . . . . ?
C16 C17 C30 C25 -179.18(17) . . . . ?
C28 C29 C30 C17 -179.7(2) . . . . ?
C28 C29 C30 C25 -0.4(3) . . . . ?
C24 C25 C30 C17 -1.0(3) . . . . ?
C26 C25 C30 C17 -179.99(19) . . . . ?
C24 C25 C30 C29 179.71(19) . . . . ?
C26 C25 C30 C29 0.7(3) . . . . ?

_refine_diff_density_max         0.355
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.112

_shelxl_version_number           2013-2



