# 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 
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data_jz198_0m
_database_code_depnum_ccdc_archive 'CCDC 2238047'
loop_
_audit_author_name
_audit_author_address
'Okten Ungor'
;Colorado State University 
United States of America
;
_audit_update_record             
;
2023-01-26 deposited with the CCDC.	2023-10-23 downloaded from the CCDC.
;
_audit_creation_date             2023-01-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Co(accp)3
_chemical_formula_moiety         'C20.75 H23.75 Co O6'
_chemical_formula_sum            'C20.75 H23.75 Co O6'
_chemical_formula_weight         428.08
_chemical_melting_point          ?
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'
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/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   8.0692(9)
_cell_length_b                   15.6356(17)
_cell_length_c                   15.6240(18)
_cell_angle_alpha                90
_cell_angle_beta                 93.841(4)
_cell_angle_gamma                90
_cell_volume                     1966.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3032
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      21.051
_cell_measurement_theta_min      2.606
_shelx_estimated_absorpt_T_max   0.930
_shelx_estimated_absorpt_T_min   0.893
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0911 before and 0.0735 after correction.
The Ratio of minimum to maximum transmission is 0.8270.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             893
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.081
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2144
_diffrn_reflns_av_unetI/netI     0.0894
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35186
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.579
_diffrn_reflns_theta_max         24.579
_diffrn_reflns_theta_min         1.845
_diffrn_ambient_temperature      295.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1902
_reflns_number_total             3290
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.923
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.0048(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3290
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1381
_refine_ls_R_factor_gt           0.0664
_refine_ls_restrained_S_all      1.087
_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)+(0.0965P)²+1.4107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1578
_refine_ls_wR_factor_ref         0.1997
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C10(0.75) H10(0.75)
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C17(H17A,H17B), C18(H18A,H18B),
 C19(H19A,H19B)
3.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11)
3.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C21(H21A,H21B,H21C)
;
_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 0.64118(10) 0.32893(5) 0.33503(6) 0.0363(4) Uani 1 1 d . . . . .
O1 O 0.4265(5) 0.3163(3) 0.3747(3) 0.0418(11) Uani 1 1 d . . . . .
O2 O 0.6818(5) 0.2118(3) 0.3188(3) 0.0436(12) Uani 1 1 d . . . . .
O3 O 0.8587(5) 0.3497(3) 0.3030(3) 0.0440(12) Uani 1 1 d . . . . .
O4 O 0.5349(5) 0.3329(3) 0.2241(3) 0.0462(12) Uani 1 1 d . . . . .
O5 O 0.7347(5) 0.3133(3) 0.4473(3) 0.0414(11) Uani 1 1 d . . . . .
O6 O 0.6088(5) 0.4481(3) 0.3428(3) 0.0459(12) Uani 1 1 d . . . . .
C1 C 0.3509(8) 0.2452(4) 0.3691(4) 0.0408(17) Uani 1 1 d . . . . .
C2 C 0.4112(8) 0.1668(4) 0.3443(4) 0.0430(16) Uani 1 1 d . . . . .
C3 C 0.2778(10) 0.0991(5) 0.3520(6) 0.072(3) Uani 1 1 d . . . . .
H3A H 0.300935 0.063678 0.403146 0.086 Uiso 1 1 calc R . . . .
H3B H 0.268900 0.062094 0.301201 0.086 Uiso 1 1 calc R . . . .
C4 C 0.1180(10) 0.1527(6) 0.3591(6) 0.085(3) Uani 1 1 d . . . . .
H4A H 0.060684 0.161243 0.302411 0.102 Uiso 1 1 calc R . . . .
H4B H 0.041983 0.124196 0.396313 0.102 Uiso 1 1 calc R . . . .
C5 C 0.1770(8) 0.2375(5) 0.3975(5) 0.056(2) Uani 1 1 d . . . . .
H5A H 0.107187 0.284865 0.375191 0.067 Uiso 1 1 calc R . . . .
H5B H 0.176735 0.236638 0.460231 0.067 Uiso 1 1 calc R . . . .
C6 C 0.5739(9) 0.1534(4) 0.3250(4) 0.0474(18) Uani 1 1 d . . . . .
C7 C 0.6358(10) 0.0626(5) 0.3154(6) 0.073(3) Uani 1 1 d . . . . .
H7A H 0.616122 0.044473 0.256231 0.110 Uiso 1 1 calc GR . . . .
H7B H 0.577019 0.024887 0.352286 0.110 Uiso 1 1 calc GR . . . .
H7C H 0.753883 0.060291 0.331627 0.110 Uiso 1 1 calc GR . . . .
C8 C 0.8896(8) 0.3627(4) 0.2252(5) 0.0447(18) Uani 1 1 d . . . . .
C9 C 1.0657(10) 0.3791(5) 0.2038(6) 0.075(3) Uani 1 1 d . . . . .
H9 H 1.163805 0.378418 0.239814 0.090 Uiso 1 1 calc R . . . .
C10 C 1.0414(15) 0.3978(10) 0.1044(8) 0.103(5) Uani 0.75 1 d . . P . .
H10 H 1.125445 0.417154 0.070318 0.124 Uiso 0.75 1 calc R . P . .
C11 C 0.8626(10) 0.3802(5) 0.0716(5) 0.061(2) Uani 1 1 d . . . . .
H11 H 0.816197 0.380480 0.014794 0.074 Uiso 1 1 calc R . . . .
C12 C 0.7780(9) 0.3622(4) 0.1537(5) 0.0467(18) Uani 1 1 d . . . . .
C13 C 0.6123(9) 0.3461(4) 0.1568(5) 0.0489(18) Uani 1 1 d . . . . .
C14 C 0.5072(11) 0.3427(6) 0.0729(5) 0.079(3) Uani 1 1 d . . . . .
H14A H 0.500216 0.284137 0.052550 0.118 Uiso 1 1 calc GR . . . .
H14B H 0.557395 0.378088 0.030645 0.118 Uiso 1 1 calc GR . . . .
H14C H 0.396502 0.363789 0.081646 0.118 Uiso 1 1 calc GR . . . .
C15 C 0.7696(7) 0.3761(4) 0.4970(4) 0.0379(16) Uani 1 1 d . . . . .
C16 C 0.7407(8) 0.4618(4) 0.4825(5) 0.0425(17) Uani 1 1 d . . . . .
C17 C 0.8038(10) 0.5133(6) 0.5610(6) 0.079(3) Uani 1 1 d . . . . .
H17A H 0.711262 0.538958 0.589428 0.094 Uiso 1 1 calc R . . . .
H17B H 0.879346 0.558786 0.544950 0.094 Uiso 1 1 calc R . . . .
C18 C 0.8996(12) 0.4441(6) 0.6220(6) 0.092(3) Uani 1 1 d . . . . .
H18A H 1.019945 0.452991 0.623000 0.110 Uiso 1 1 calc R . . . .
H18B H 0.864808 0.448569 0.680725 0.110 Uiso 1 1 calc R . . . .
C19 C 0.8541(10) 0.3585(5) 0.5847(4) 0.0538(19) Uani 1 1 d . . . . .
H19A H 0.778600 0.328305 0.620929 0.065 Uiso 1 1 calc R . . . .
H19B H 0.953561 0.323358 0.579656 0.065 Uiso 1 1 calc R . . . .
C20 C 0.6595(8) 0.4925(4) 0.4068(5) 0.0456(18) Uani 1 1 d . . . . .
C21 C 0.6304(9) 0.5885(4) 0.4022(5) 0.067(2) Uani 1 1 d . . . . .
H21A H 0.683389 0.611886 0.353419 0.101 Uiso 1 1 calc GR . . . .
H21B H 0.677172 0.615132 0.454484 0.101 Uiso 1 1 calc GR . . . .
H21C H 0.512022 0.599884 0.395825 0.101 Uiso 1 1 calc GR . . . .


_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 O1 1.889(4) . ?
Co1 O2 1.881(4) . ?
Co1 O3 1.885(4) . ?
Co1 O4 1.882(4) . ?
Co1 O5 1.878(4) . ?
Co1 O6 1.886(4) . ?
O1 C1 1.268(7) . ?
O2 C6 1.270(8) . ?
O3 C8 1.274(8) . ?
O4 C13 1.276(8) . ?
O5 C15 1.271(7) . ?
O6 C20 1.262(8) . ?
C1 C2 1.383(9) . ?
C1 C5 1.504(9) . ?
C2 C3 1.521(9) . ?
C2 C6 1.383(9) . ?
C3 C4 1.549(11) . ?
C4 C5 1.520(11) . ?
C6 C7 1.515(9) . ?
C8 C9 1.504(9) . ?
C8 C12 1.387(9) . ?
C9 C10 1.579(14) . ?
C10 C11 1.524(13) . ?
C11 C12 1.519(10) . ?
C12 C13 1.365(10) . ?
C13 C14 1.514(10) . ?
C15 C16 1.377(9) . ?
C15 C19 1.514(9) . ?
C16 C17 1.525(10) . ?
C16 C20 1.398(10) . ?
C17 C18 1.606(12) . ?
C18 C19 1.496(11) . ?
C20 C21 1.521(9) . ?

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 96.55(18) . . ?
O2 Co1 O3 87.60(19) . . ?
O2 Co1 O4 88.91(19) . . ?
O2 Co1 O6 175.3(2) . . ?
O3 Co1 O1 174.7(2) . . ?
O3 Co1 O6 89.01(19) . . ?
O4 Co1 O1 86.25(19) . . ?
O4 Co1 O3 97.16(19) . . ?
O4 Co1 O6 88.3(2) . . ?
O5 Co1 O1 89.99(19) . . ?
O5 Co1 O2 86.36(19) . . ?
O5 Co1 O3 86.97(19) . . ?
O5 Co1 O4 173.6(2) . . ?
O5 Co1 O6 96.7(2) . . ?
O6 Co1 O1 87.03(18) . . ?
C1 O1 Co1 121.1(4) . . ?
C6 O2 Co1 124.3(4) . . ?
C8 O3 Co1 121.7(4) . . ?
C13 O4 Co1 123.2(4) . . ?
C15 O5 Co1 121.9(4) . . ?
C20 O6 Co1 123.7(4) . . ?
O1 C1 C2 128.2(6) . . ?
O1 C1 C5 120.2(6) . . ?
C2 C1 C5 111.4(6) . . ?
C1 C2 C3 109.3(6) . . ?
C6 C2 C1 123.6(6) . . ?
C6 C2 C3 126.7(6) . . ?
C2 C3 C4 103.0(6) . . ?
C5 C4 C3 105.1(6) . . ?
C1 C5 C4 103.1(6) . . ?
O2 C6 C2 124.9(6) . . ?
O2 C6 C7 115.7(7) . . ?
C2 C6 C7 119.2(7) . . ?
O3 C8 C9 119.2(7) . . ?
O3 C8 C12 127.6(6) . . ?
C12 C8 C9 113.2(7) . . ?
C8 C9 C10 101.1(7) . . ?
C11 C10 C9 110.5(8) . . ?
C12 C11 C10 102.6(7) . . ?
C8 C12 C11 112.0(7) . . ?
C13 C12 C8 123.9(7) . . ?
C13 C12 C11 124.1(7) . . ?
O4 C13 C12 126.4(7) . . ?
O4 C13 C14 115.6(7) . . ?
C12 C13 C14 118.0(7) . . ?
O5 C15 C16 128.5(6) . . ?
O5 C15 C19 118.7(6) . . ?
C16 C15 C19 112.8(6) . . ?
C15 C16 C17 109.8(7) . . ?
C15 C16 C20 122.5(6) . . ?
C20 C16 C17 127.7(7) . . ?
C16 C17 C18 104.1(7) . . ?
C19 C18 C17 106.0(7) . . ?
C18 C19 C15 105.9(6) . . ?
O6 C20 C16 126.1(6) . . ?
O6 C20 C21 117.7(7) . . ?
C16 C20 C21 116.1(7) . . ?

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 O1 C1 C2 7.5(9) . . . . ?
Co1 O1 C1 C5 -177.3(4) . . . . ?
Co1 O2 C6 C2 0.1(10) . . . . ?
Co1 O2 C6 C7 -176.0(5) . . . . ?
Co1 O3 C8 C9 179.8(5) . . . . ?
Co1 O3 C8 C12 -1.5(9) . . . . ?
Co1 O4 C13 C12 -2.5(9) . . . . ?
Co1 O4 C13 C14 177.1(5) . . . . ?
Co1 O5 C15 C16 3.6(9) . . . . ?
Co1 O5 C15 C19 -176.4(4) . . . . ?
Co1 O6 C20 C16 -2.6(9) . . . . ?
Co1 O6 C20 C21 177.5(4) . . . . ?
O1 Co1 O2 C6 7.8(5) . . . . ?
O1 Co1 O4 C13 176.3(5) . . . . ?
O1 Co1 O5 C15 -93.4(5) . . . . ?
O1 Co1 O6 C20 95.7(5) . . . . ?
O1 C1 C2 C3 177.1(7) . . . . ?
O1 C1 C2 C6 3.5(12) . . . . ?
O1 C1 C5 C4 165.5(7) . . . . ?
O2 Co1 O1 C1 -11.2(5) . . . . ?
O2 Co1 O3 C8 90.1(5) . . . . ?
O2 Co1 O4 C13 -87.1(5) . . . . ?
O2 Co1 O5 C15 170.0(5) . . . . ?
O3 Co1 O2 C6 -175.5(5) . . . . ?
O3 Co1 O4 C13 0.3(5) . . . . ?
O3 Co1 O5 C15 82.2(5) . . . . ?
O3 Co1 O6 C20 -80.8(5) . . . . ?
O3 C8 C9 C10 -176.0(8) . . . . ?
O3 C8 C12 C11 -179.8(6) . . . . ?
O3 C8 C12 C13 -0.8(11) . . . . ?
O4 Co1 O1 C1 77.3(5) . . . . ?
O4 Co1 O2 C6 -78.3(5) . . . . ?
O4 Co1 O3 C8 1.5(5) . . . . ?
O4 Co1 O6 C20 -178.0(5) . . . . ?
O5 Co1 O1 C1 -97.5(5) . . . . ?
O5 Co1 O2 C6 97.4(5) . . . . ?
O5 Co1 O3 C8 176.6(5) . . . . ?
O5 Co1 O6 C20 6.1(5) . . . . ?
O5 C15 C16 C17 179.8(6) . . . . ?
O5 C15 C16 C20 1.9(10) . . . . ?
O5 C15 C19 C18 172.2(6) . . . . ?
O6 Co1 O1 C1 165.8(5) . . . . ?
O6 Co1 O3 C8 -86.6(5) . . . . ?
O6 Co1 O4 C13 89.1(5) . . . . ?
O6 Co1 O5 C15 -6.4(5) . . . . ?
C1 C2 C3 C4 15.8(9) . . . . ?
C1 C2 C6 O2 -7.9(11) . . . . ?
C1 C2 C6 C7 168.1(7) . . . . ?
C2 C1 C5 C4 -18.5(8) . . . . ?
C2 C3 C4 C5 -26.7(9) . . . . ?
C3 C2 C6 O2 179.8(7) . . . . ?
C3 C2 C6 C7 -4.3(11) . . . . ?
C3 C4 C5 C1 27.4(8) . . . . ?
C5 C1 C2 C3 1.5(8) . . . . ?
C5 C1 C2 C6 -172.1(6) . . . . ?
C6 C2 C3 C4 -170.9(7) . . . . ?
C8 C9 C10 C11 -7.4(11) . . . . ?
C8 C12 C13 O4 3.1(11) . . . . ?
C8 C12 C13 C14 -176.5(7) . . . . ?
C9 C8 C12 C11 -1.0(8) . . . . ?
C9 C8 C12 C13 178.0(7) . . . . ?
C9 C10 C11 C12 6.9(11) . . . . ?
C10 C11 C12 C8 -3.7(9) . . . . ?
C10 C11 C12 C13 177.3(8) . . . . ?
C11 C12 C13 O4 -178.0(6) . . . . ?
C11 C12 C13 C14 2.4(10) . . . . ?
C12 C8 C9 C10 5.1(9) . . . . ?
C15 C16 C17 C18 7.4(8) . . . . ?
C15 C16 C20 O6 -2.5(10) . . . . ?
C15 C16 C20 C21 177.4(6) . . . . ?
C16 C15 C19 C18 -7.8(8) . . . . ?
C16 C17 C18 C19 -11.9(9) . . . . ?
C17 C16 C20 O6 180.0(6) . . . . ?
C17 C16 C20 C21 -0.1(10) . . . . ?
C17 C18 C19 C15 11.8(9) . . . . ?
C19 C15 C16 C17 -0.1(8) . . . . ?
C19 C15 C16 C20 -178.0(6) . . . . ?
C20 C16 C17 C18 -174.8(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: MeCN'
_exptl_crystal_preparation       'Magnetic properties'
