# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_DCoOH_290K
_database_code_depnum_ccdc_archive 'CCDC 1977029'
loop_
_audit_author_name
_audit_author_address
'Katarzyna Pasinska'
;Institute of Low Temperature and Structural Research
Poland
;
_audit_update_record             
;
2020-01-12 deposited with the CCDC.	2020-03-25 downloaded from the CCDC.
;
_audit_creation_date             2018-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 Co O8, C6 H14 N2'
_chemical_formula_sum            'C10 H14 Co N2 O8'
_chemical_formula_weight         349.16
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20  H40  Co2  N4  O22  '
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'
Co Co 0.3494 0.9721 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.622(3)
_cell_length_b                   17.128(5)
_cell_length_c                   9.532(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.14(3)
_cell_angle_gamma                90
_cell_volume                     1242.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16659
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      29.2070
_cell_measurement_theta_min      2.5140
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.34a (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             716
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -1 0 0.0342
-8 2 11 0.1924
5 -20 5 0.0831
-1 1 0 0.0353
1 -1 0 0.0624
1 1 0 0.0512
0 -3 -5 0.1833
4 3 -5 0.1705
2 -5 3 0.1147
1 -5 -2 0.1390
-5 -3 -5 0.1035

_exptl_crystal_size_max          0.434
_exptl_crystal_size_mid          0.166
_exptl_crystal_size_min          0.085
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9995 -0.9986 0.0005 0.0010 -0.0674 -0.0548
-7.6055 2.1744 11.4462 0.2722 0.2051 -0.9401
4.6710 -20.3547 4.6937 -0.9625 0.0587 -0.2650
-0.9985 0.9988 0.0006 0.0743 -0.0294 -0.0337
0.9985 -0.9988 -0.0006 -0.0743 0.0294 0.0337
0.9995 0.9986 -0.0005 -0.0010 0.0674 0.0548
-0.0023 -2.9924 -4.9946 -0.0685 -0.2892 0.2418
3.9943 2.9983 -4.9953 0.0007 0.0181 0.4817
1.9984 -4.9960 2.9952 -0.2836 0.1415 -0.1283
0.9975 -4.9922 -1.9987 -0.2044 -0.1393 0.1009
-4.9970 -2.9909 -4.9927 0.1200 -0.5312 0.0209

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0892
_diffrn_reflns_av_unetI/netI     0.1493
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6410
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.995
_diffrn_reflns_theta_min         2.448
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      290(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6249
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -64.00  43.00   1.00   10.00    --   12.31 -57.00-150.00  107
  2  ω    -65.00  41.00   1.00   10.00    --   12.31 -37.00 120.00  106
  3  ω    -25.00  19.00   1.00   10.00    --  -13.41 -99.00-120.00   44
  4  ω    -47.00  10.00   1.00   10.00    --  -13.41 -37.00 120.00   57
  5  ω    -38.00  27.00   1.00   10.00    --  -13.41  57.00   0.00   65
  6  ω    -64.00   2.00   1.00   10.00    --   12.31 -57.00  30.00   66
  7  ω    -25.00  30.00   1.00   10.00    --  -13.41 -99.00  60.00   55
  8  ω    -64.00  43.00   1.00   10.00    --   12.31 -57.00  60.00  107
  9  ω    -89.00 -33.00   1.00   10.00    --  -13.41 -57.00  60.00   56
 10  ω    -42.00 -14.00   1.00   10.00    --  -13.41  37.00 -30.00   28
 11  ω    -25.00  30.00   1.00   10.00    --  -13.41 -99.00 -60.00   55
 12  ω    -42.00  41.00   1.00   10.00    --  -13.41  37.00 -30.00   83
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0377289000
_diffrn_orient_matrix_UB_12      0.0367207000
_diffrn_orient_matrix_UB_13      -0.0082654000
_diffrn_orient_matrix_UB_21      0.0484703000
_diffrn_orient_matrix_UB_22      0.0189649000
_diffrn_orient_matrix_UB_23      0.0465218000
_diffrn_orient_matrix_UB_31      0.0442206000
_diffrn_orient_matrix_UB_32      0.0105396000
_diffrn_orient_matrix_UB_33      -0.0547542000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1220
_reflns_number_total             2447
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.34a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2447
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1665
_refine_ls_R_factor_gt           0.0777
_refine_ls_restrained_S_all      0.965
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1450
_refine_ls_wR_factor_ref         0.1740
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 N1(H1), N2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.14923(12) 0.54679(5) 0.76001(10) 0.0384(4) Uani 1 1 d . . . . .
O2 O 0.0405(7) 0.4478(3) 0.8487(5) 0.0451(13) Uani 1 1 d . . . . .
O1 O -0.0713(6) 0.5690(3) 0.6172(5) 0.0442(13) Uani 1 1 d . . . . .
O3 O 0.4171(6) 0.5389(3) 0.8075(5) 0.0464(13) Uani 1 1 d . . . . .
O4 O 0.2301(6) 0.6588(3) 0.7057(5) 0.0422(13) Uani 1 1 d . . . . .
O5 O -0.0977(6) 0.4109(3) 1.0379(5) 0.0426(13) Uani 1 1 d . . . . .
O6 O -0.2010(6) 0.5258(3) 0.4159(5) 0.0433(13) Uani 1 1 d . . . . .
O7 O 0.4504(7) 0.7391(3) 0.7548(6) 0.0738(18) Uani 1 1 d . . . . .
O8 O 0.6513(7) 0.6177(3) 0.8475(6) 0.0670(17) Uani 1 1 d . . . . .
C1 C -0.0774(8) 0.5277(3) 0.5088(7) 0.0279(16) Uani 1 1 d . . . . .
C2 C 0.4988(11) 0.6038(5) 0.8100(7) 0.047(2) Uani 1 1 d . . . . .
C3 C 0.3839(11) 0.6733(5) 0.7554(7) 0.047(2) Uani 1 1 d . . . . .
C4 C -0.0144(9) 0.4588(4) 0.9678(7) 0.0367(17) Uani 1 1 d . . . . .
C5 C -0.0575(10) 0.7515(4) 0.9018(7) 0.049(2) Uani 1 1 d . . . . .
H5A H -0.008194 0.703261 0.868217 0.059 Uiso 1 1 calc R . . . .
H5B H -0.099972 0.742256 0.994452 0.059 Uiso 1 1 calc R . . . .
C6 C 0.0799(10) 0.8140(5) 0.9092(8) 0.057(2) Uani 1 1 d . . . . .
H6A H 0.092648 0.834465 1.004065 0.069 Uiso 1 1 calc R . . . .
H6B H 0.191897 0.792180 0.885496 0.069 Uiso 1 1 calc R . . . .
C7 C -0.1361(10) 0.9145(5) 0.8530(9) 0.061(2) Uani 1 1 d . . . . .
H7A H -0.170598 0.955664 0.787194 0.074 Uiso 1 1 calc R . . . .
H7B H -0.118801 0.937427 0.945805 0.074 Uiso 1 1 calc R . . . .
C8 C -0.2775(9) 0.8529(4) 0.8535(7) 0.046(2) Uani 1 1 d . . . . .
H8A H -0.317146 0.846594 0.947767 0.055 Uiso 1 1 calc R . . . .
H8B H -0.377173 0.868682 0.792361 0.055 Uiso 1 1 calc R . . . .
C9 C 0.0106(11) 0.8471(5) 0.6672(8) 0.061(2) Uani 1 1 d . . . . .
H9A H 0.118948 0.822355 0.641843 0.074 Uiso 1 1 calc R . . . .
H9B H -0.015552 0.889469 0.601883 0.074 Uiso 1 1 calc R . . . .
C10 C -0.1387(10) 0.7878(5) 0.6598(7) 0.051(2) Uani 1 1 d . . . . .
H10A H -0.232858 0.806001 0.595321 0.061 Uiso 1 1 calc R . . . .
H10B H -0.096909 0.738207 0.625764 0.061 Uiso 1 1 calc R . . . .
N1 N 0.0304(8) 0.8774(4) 0.8111(6) 0.0482(17) Uani 1 1 d . . . . .
H1 H 0.123818 0.916788 0.815557 0.058 Uiso 1 1 calc R . . . .
N2 N -0.2052(7) 0.7779(3) 0.8035(6) 0.0408(15) Uani 1 1 d . . . . .
H2 H -0.298051 0.738323 0.800166 0.049 Uiso 1 1 calc 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
Co1 O2 2.086(5) . ?
Co1 O1 2.139(4) . ?
Co1 O3 2.071(5) . ?
Co1 O4 2.088(5) . ?
Co1 O5 2.115(5) 3_567 ?
Co1 O6 2.142(5) 3_566 ?
O2 C4 1.245(8) . ?
O1 C1 1.251(7) . ?
O3 C2 1.274(8) . ?
O4 C3 1.265(8) . ?
O5 Co1 2.115(5) 3_567 ?
O5 C4 1.253(8) . ?
O6 Co1 2.142(5) 3_566 ?
O6 C1 1.257(7) . ?
O7 C3 1.236(9) . ?
O8 C2 1.221(8) . ?
C1 C1 1.530(12) 3_566 ?
C2 C3 1.551(11) . ?
C4 C4 1.550(13) 3_567 ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.496(10) . ?
C5 N2 1.495(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 N1 1.468(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.509(10) . ?
C7 N1 1.493(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 N2 1.486(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.523(10) . ?
C9 N1 1.467(8) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 N2 1.496(9) . ?
N1 H1 0.9800 . ?
N2 H2 0.9800 . ?

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
O2 Co1 O1 94.98(19) . . ?
O2 Co1 O4 167.4(2) . . ?
O2 Co1 O5 79.14(18) . 3_567 ?
O2 Co1 O6 86.53(19) . 3_566 ?
O1 Co1 O6 77.11(17) . 3_566 ?
O3 Co1 O2 105.5(2) . . ?
O3 Co1 O1 151.9(2) . . ?
O3 Co1 O4 79.25(19) . . ?
O3 Co1 O5 93.07(19) . 3_567 ?
O3 Co1 O6 84.92(18) . 3_566 ?
O4 Co1 O1 84.91(18) . . ?
O4 Co1 O5 89.04(18) . 3_567 ?
O4 Co1 O6 105.66(19) . 3_566 ?
O5 Co1 O1 109.88(19) 3_567 . ?
O5 Co1 O6 164.45(18) 3_567 3_566 ?
C4 O2 Co1 114.0(4) . . ?
C1 O1 Co1 114.7(4) . . ?
C2 O3 Co1 115.0(5) . . ?
C3 O4 Co1 111.6(5) . . ?
C4 O5 Co1 112.7(4) . 3_567 ?
C1 O6 Co1 113.8(4) . 3_566 ?
O1 C1 O6 126.0(6) . . ?
O1 C1 C1 116.6(7) . 3_566 ?
O6 C1 C1 117.4(7) . 3_566 ?
O3 C2 C3 113.4(7) . . ?
O8 C2 O3 129.3(8) . . ?
O8 C2 C3 117.3(7) . . ?
O4 C3 C2 118.0(7) . . ?
O7 C3 O4 123.3(8) . . ?
O7 C3 C2 118.5(7) . . ?
O2 C4 O5 126.3(7) . . ?
O2 C4 C4 116.8(9) . 3_567 ?
O5 C4 C4 116.7(8) . 3_567 ?
H5A C5 H5B 108.4 . . ?
C6 C5 H5A 110.0 . . ?
C6 C5 H5B 110.0 . . ?
N2 C5 H5A 110.0 . . ?
N2 C5 H5B 110.0 . . ?
N2 C5 C6 108.3(6) . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N1 C6 C5 110.2(5) . . ?
N1 C6 H6A 109.6 . . ?
N1 C6 H6B 109.6 . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
N1 C7 H7A 109.9 . . ?
N1 C7 H7B 109.9 . . ?
N1 C7 C8 108.7(6) . . ?
C7 C8 H8A 109.9 . . ?
C7 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N2 C8 C7 109.0(6) . . ?
N2 C8 H8A 109.9 . . ?
N2 C8 H8B 109.9 . . ?
H9A C9 H9B 108.4 . . ?
C10 C9 H9A 110.0 . . ?
C10 C9 H9B 110.0 . . ?
N1 C9 H9A 110.0 . . ?
N1 C9 H9B 110.0 . . ?
N1 C9 C10 108.5(6) . . ?
C9 C10 H10A 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
N2 C10 C9 108.8(5) . . ?
N2 C10 H10A 109.9 . . ?
N2 C10 H10B 109.9 . . ?
C6 N1 C7 109.7(6) . . ?
C6 N1 H1 108.7 . . ?
C7 N1 H1 108.7 . . ?
C9 N1 C6 110.1(6) . . ?
C9 N1 C7 110.8(6) . . ?
C9 N1 H1 108.7 . . ?
C5 N2 C10 109.1(6) . . ?
C5 N2 H2 109.2 . . ?
C8 N2 C5 109.9(5) . . ?
C8 N2 C10 110.2(6) . . ?
C8 N2 H2 109.2 . . ?
C10 N2 H2 109.2 . . ?

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
C5 H5A O5_$4 0.97 2.28 3.065(9) 137.5 3_567
C8 H8B O2_$5 0.97 2.24 3.154(8) 157.0 2_456
N1 H1 O3_$1 0.98 2.41 3.023(8) 120.2 2_556
N1 H1 O6_$2 0.98 1.88 2.777(7) 151.3 4_676
N2 H2 O8_$3 0.98 2.15 2.993(8) 142.6 1_455
N2 H2 O7_$3 0.98 1.94 2.724(8) 134.9 1_455

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 C4 O5 173.7(6) . . . . ?
Co1 O2 C4 C4 -2.8(9) . . . 3_567 ?
Co1 O1 C1 O6 174.0(5) . . . . ?
Co1 O1 C1 C1 -3.8(9) . . . 3_566 ?
Co1 O3 C2 O8 172.2(6) . . . . ?
Co1 O3 C2 C3 -8.5(7) . . . . ?
Co1 O4 C3 O7 -169.2(6) . . . . ?
Co1 O4 C3 C2 15.3(8) . . . . ?
Co1 O5 C4 O2 176.4(5) 3_567 . . . ?
Co1 O5 C4 C4 -7.2(9) 3_567 . . 3_567 ?
Co1 O6 C1 O1 175.6(5) 3_566 . . . ?
Co1 O6 C1 C1 -6.7(9) 3_566 . . 3_566 ?
O3 C2 C3 O4 -5.0(9) . . . . ?
O3 C2 C3 O7 179.3(7) . . . . ?
O8 C2 C3 O4 174.4(6) . . . . ?
O8 C2 C3 O7 -1.3(10) . . . . ?
C5 C6 N1 C7 63.0(8) . . . . ?
C5 C6 N1 C9 -59.2(8) . . . . ?
C6 C5 N2 C8 -58.3(8) . . . . ?
C6 C5 N2 C10 62.6(8) . . . . ?
C7 C8 N2 C5 62.5(8) . . . . ?
C7 C8 N2 C10 -57.8(7) . . . . ?
C8 C7 N1 C6 -58.3(8) . . . . ?
C8 C7 N1 C9 63.5(8) . . . . ?
C9 C10 N2 C5 -58.4(8) . . . . ?
C9 C10 N2 C8 62.3(7) . . . . ?
C10 C9 N1 C6 62.8(8) . . . . ?
C10 C9 N1 C7 -58.7(8) . . . . ?
N1 C7 C8 N2 -3.5(9) . . . . ?
N1 C9 C10 N2 -3.4(9) . . . . ?
N2 C5 C6 N1 -3.9(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.128
_oxdiff_exptl_absorpt_empirical_full_min 0.940
