# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

data_Co-1H
_audit_creation_date               2023-12-14
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number       '2016/6'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C22 H18 Co N5 O3, 1[CH2Cl2]'
_chemical_formula_sum              'C22 H18 Co N5 O3'
_chemical_formula_weight           459.34
_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'
 '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        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     8.8732(16)
_cell_length_b                     10.2837(19)
_cell_length_c                     14.993(3)
_cell_angle_alpha                  78.404(4)
_cell_angle_beta                   79.175(4)
_cell_angle_gamma                  66.066(4)
_cell_volume                       1216.3(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9796
_cell_measurement_temperature      100.0(2)
_cell_measurement_theta_max        26.88
_cell_measurement_theta_min        2.43
_shelx_estimated_absorpt_T_max     0.944
_shelx_estimated_absorpt_T_min     0.937
_exptl_absorpt_coefficient_mu      0.735
_exptl_absorpt_correction_T_max    0.7456
_exptl_absorpt_correction_T_min    0.4620
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1266 before and 0.0720 after correction. The Ratio of minimum to maximum transmission is 0.6196. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light brown'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.254
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               472
_exptl_crystal_size_max            0.09
_exptl_crystal_size_mid            0.08
_exptl_crystal_size_min            0.08
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0483
_diffrn_reflns_av_unetI/netI       0.0314
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.955
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              29507
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.955
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.252
_diffrn_reflns_theta_min           2.637
_diffrn_ambient_temperature        100.0(2)
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.955
_diffrn_measurement_device         'three-circle diffractometer'
_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                     ?
_diffrn_special_details            ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4619
_reflns_number_total               5220
_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.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.38A (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL  (Sheldrick, 2008)'
_computing_structure_solution      'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max           0.257
_refine_diff_density_min           -0.807
_refine_diff_density_rms           0.085
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.073
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       282
_refine_ls_number_reflns           5220
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0472
_refine_ls_R_factor_gt             0.0411
_refine_ls_restrained_S_all        1.073
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0705P)²+0.5385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1153
_refine_ls_wR_factor_ref           0.1217
_refine_special_details            ?
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
1.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C2(H2), C12(H12), C15(H15), C5(H5), C14(H14), C13(H13), C4(H4),
 C3(H3), C17(H17)
1.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_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 0.63203(3) 0.47860(3) 0.75807(2) 0.03250(10) Uani 1 1 d . . . . .
 N1 N 0.59035(19) 0.65606(17) 0.68152(10) 0.0305(3) Uani 1 1 d . . . . .
 O1 O 0.40507(18) 0.51022(16) 0.79326(10) 0.0392(3) Uani 1 1 d . . . . .
 N2 N 0.8603(2) 0.43633(19) 0.71582(12) 0.0365(4) Uani 1 1 d . . . . .
 O2 O 0.6817(2) 0.30001(17) 0.83409(11) 0.0449(4) Uani 1 1 d . . . . .
 N3 N 0.6523(2) 0.37457(18) 0.66031(11) 0.0331(3) Uani 1 1 d . . . . .
 O3 O 0.6331(2) 0.58067(18) 0.84893(10) 0.0450(4) Uani 1 1 d . . . . .
 C6 C 0.2952(3) 0.7549(2) 0.72247(14) 0.0393(4) Uani 1 1 d . . . . .
 C8 C 0.7388(3) 0.6655(2) 0.63548(14) 0.0362(4) Uani 1 1 d . . . . .
 C10 C 0.9351(3) 0.2935(2) 0.68618(16) 0.0403(5) Uani 1 1 d . . . . .
 H10A H 0.961660 0.219071 0.738624 0.048 Uiso 1 1 calc R U . . .
 H10B H 1.036176 0.283534 0.644864 0.048 Uiso 1 1 calc R U . . .
 C11 C 0.8078(2) 0.2821(2) 0.63809(14) 0.0363(4) Uani 1 1 d . . . . .
 C9 C 0.8762(2) 0.5432(2) 0.65141(14) 0.0363(4) Uani 1 1 d . . . . .
 C1 C 0.2798(3) 0.6286(2) 0.77338(13) 0.0366(4) Uani 1 1 d . . . . .
 C7 C 0.4482(3) 0.7618(2) 0.67909(14) 0.0364(4) Uani 1 1 d . . . . .
 H7 H 0.446166 0.849319 0.646262 0.044 Uiso 1 1 calc R U . . .
 C2 C 0.1188(3) 0.6306(3) 0.80310(16) 0.0491(6) Uani 1 1 d . . . . .
 H2 H 0.106044 0.547082 0.834009 0.059 Uiso 1 1 calc R U . . .
 C21 C 1.0345(3) 0.5282(3) 0.59951(16) 0.0429(5) Uani 1 1 d . . . . .
 C12 C 0.8413(3) 0.1924(2) 0.57459(16) 0.0455(5) Uani 1 1 d . . . . .
 H12 H 0.948950 0.127833 0.560286 0.055 Uiso 1 1 calc R U . . .
 C15 C 0.5292(3) 0.3829(2) 0.61793(15) 0.0413(5) Uani 1 1 d . . . . .
 H15 H 0.422484 0.448915 0.632437 0.050 Uiso 1 1 calc R U . . .
 N4 N 1.1601(3) 0.5116(3) 0.55789(17) 0.0576(6) Uani 1 1 d . . . . .
 N5 N 0.7404(3) 0.8788(3) 0.5149(2) 0.0716(7) Uani 1 1 d . . . . .
 C5 C 0.1499(3) 0.8792(3) 0.70951(19) 0.0572(7) Uani 1 1 d . . . . .
 H5 H 0.159604 0.963826 0.678348 0.069 Uiso 1 1 calc R U . . .
 C14 C 0.5561(3) 0.2968(3) 0.55375(18) 0.0519(6) Uani 1 1 d . . . . .
 H14 H 0.468639 0.304006 0.524687 0.062 Uiso 1 1 calc R U . . .
 C22 C 0.7415(3) 0.7855(3) 0.57088(17) 0.0455(5) Uani 1 1 d . . . . .
 C18 C 0.6854(3) 0.5211(3) 0.92529(15) 0.0499(6) Uani 1 1 d . . . . .
 C13 C 0.7131(4) 0.1993(3) 0.53228(18) 0.0539(6) Uani 1 1 d . . . . .
 H13 H 0.732741 0.138341 0.489512 0.065 Uiso 1 1 calc R U . . .
 C16 C 0.7269(3) 0.2762(3) 0.91281(16) 0.0518(6) Uani 1 1 d . . . . .
 C4 C -0.0039(3) 0.8789(3) 0.7413(2) 0.0707(9) Uani 1 1 d . . . . .
 H4 H -0.097990 0.962195 0.732152 0.085 Uiso 1 1 calc R U . . .
 C3 C -0.0187(3) 0.7520(3) 0.7877(2) 0.0614(7) Uani 1 1 d . . . . .
 H3 H -0.123529 0.750291 0.808292 0.074 Uiso 1 1 calc R U . . .
 C17 C 0.7340(4) 0.3764(4) 0.95771(18) 0.0653(8) Uani 1 1 d . . . . .
 H17 H 0.774443 0.344703 1.014355 0.078 Uiso 1 1 calc R U . . .
 C19 C 0.6942(4) 0.6199(4) 0.98266(18) 0.0687(8) Uani 1 1 d . . . . .
 H19A H 0.806284 0.614082 0.976547 0.103 Uiso 1 1 calc R U . . .
 H19B H 0.659355 0.592578 1.045699 0.103 Uiso 1 1 calc R U . . .
 H19C H 0.622511 0.716572 0.962714 0.103 Uiso 1 1 calc R U . . .
 C20 C 0.7743(5) 0.1224(4) 0.9570(2) 0.0896(11) Uani 1 1 d . . . . .
 H20A H 0.686503 0.091045 0.956081 0.134 Uiso 1 1 calc R U . . .
 H20B H 0.792419 0.114804 1.019363 0.134 Uiso 1 1 calc R U . . .
 H20C H 0.874289 0.063242 0.923945 0.134 Uiso 1 1 calc R 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
 Co1 N1 1.8853(16) . ?
 Co1 O1 1.8916(15) . ?
 Co1 N2 1.8989(18) . ?
 Co1 O2 1.8859(15) . ?
 Co1 N3 1.9236(18) . ?
 Co1 O3 1.8831(16) . ?
 N1 C8 1.399(3) . ?
 N1 C7 1.290(3) . ?
 O1 C1 1.299(2) . ?
 N2 C10 1.468(3) . ?
 N2 C9 1.344(3) . ?
 O2 C16 1.263(3) . ?
 N3 C11 1.345(3) . ?
 N3 C15 1.329(3) . ?
 O3 C18 1.260(3) . ?
 C6 C1 1.412(3) . ?
 C6 C7 1.414(3) . ?
 C6 C5 1.411(3) . ?
 C8 C9 1.367(3) . ?
 C8 C22 1.413(3) . ?
 C10 H10A 0.9700 . ?
 C10 H10B 0.9700 . ?
 C10 C11 1.502(3) . ?
 C11 C12 1.368(3) . ?
 C9 C21 1.437(3) . ?
 C1 C2 1.407(3) . ?
 C7 H7 0.9300 . ?
 C2 H2 0.9300 . ?
 C2 C3 1.362(3) . ?
 C21 N4 1.135(3) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.374(4) . ?
 C15 H15 0.9300 . ?
 C15 C14 1.361(3) . ?
 N5 C22 1.138(3) . ?
 C5 H5 0.9300 . ?
 C5 C4 1.359(4) . ?
 C14 H14 0.9300 . ?
 C14 C13 1.370(4) . ?
 C18 C17 1.381(4) . ?
 C18 C19 1.489(4) . ?
 C13 H13 0.9300 . ?
 C16 C17 1.366(4) . ?
 C16 C20 1.503(4) . ?
 C4 H4 0.9300 . ?
 C4 C3 1.394(4) . ?
 C3 H3 0.9300 . ?
 C17 H17 0.9300 . ?
 C19 H19A 0.9600 . ?
 C19 H19B 0.9600 . ?
 C19 H19C 0.9600 . ?
 C20 H20A 0.9600 . ?
 C20 H20B 0.9600 . ?
 C20 H20C 0.9600 . ?

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 O1 94.68(6) . . ?
 N1 Co1 N2 86.40(7) . . ?
 N1 Co1 O2 177.99(6) . . ?
 N1 Co1 N3 94.28(7) . . ?
 O1 Co1 N2 175.08(7) . . ?
 O1 Co1 N3 93.51(7) . . ?
 N2 Co1 N3 81.62(7) . . ?
 O2 Co1 O1 87.31(7) . . ?
 O2 Co1 N2 91.64(7) . . ?
 O2 Co1 N3 85.87(7) . . ?
 O3 Co1 N1 84.19(7) . . ?
 O3 Co1 O1 92.09(7) . . ?
 O3 Co1 N2 92.79(7) . . ?
 O3 Co1 O2 95.46(7) . . ?
 O3 Co1 N3 174.30(7) . . ?
 C8 N1 Co1 110.67(13) . . ?
 C7 N1 Co1 125.33(14) . . ?
 C7 N1 C8 123.55(18) . . ?
 C1 O1 Co1 126.11(14) . . ?
 C10 N2 Co1 109.24(13) . . ?
 C9 N2 Co1 109.64(13) . . ?
 C9 N2 C10 114.68(18) . . ?
 C16 O2 Co1 123.68(17) . . ?
 C11 N3 Co1 113.83(14) . . ?
 C15 N3 Co1 126.31(15) . . ?
 C15 N3 C11 119.81(19) . . ?
 C18 O3 Co1 123.55(18) . . ?
 C1 C6 C7 123.47(19) . . ?
 C5 C6 C1 118.7(2) . . ?
 C5 C6 C7 117.7(2) . . ?
 N1 C8 C22 121.99(19) . . ?
 C9 C8 N1 113.91(18) . . ?
 C9 C8 C22 123.7(2) . . ?
 N2 C10 H10A 110.5 . . ?
 N2 C10 H10B 110.5 . . ?
 N2 C10 C11 106.09(16) . . ?
 H10A C10 H10B 108.7 . . ?
 C11 C10 H10A 110.5 . . ?
 C11 C10 H10B 110.5 . . ?
 N3 C11 C10 113.58(18) . . ?
 N3 C11 C12 121.1(2) . . ?
 C12 C11 C10 125.24(19) . . ?
 N2 C9 C8 118.86(19) . . ?
 N2 C9 C21 120.49(19) . . ?
 C8 C9 C21 120.6(2) . . ?
 O1 C1 C6 124.00(19) . . ?
 O1 C1 C2 118.05(19) . . ?
 C2 C1 C6 117.93(19) . . ?
 N1 C7 C6 125.04(19) . . ?
 N1 C7 H7 117.5 . . ?
 C6 C7 H7 117.5 . . ?
 C1 C2 H2 119.2 . . ?
 C3 C2 C1 121.5(2) . . ?
 C3 C2 H2 119.2 . . ?
 N4 C21 C9 177.4(3) . . ?
 C11 C12 H12 120.6 . . ?
 C11 C12 C13 118.9(2) . . ?
 C13 C12 H12 120.6 . . ?
 N3 C15 H15 119.3 . . ?
 N3 C15 C14 121.3(2) . . ?
 C14 C15 H15 119.3 . . ?
 C6 C5 H5 119.1 . . ?
 C4 C5 C6 121.9(2) . . ?
 C4 C5 H5 119.1 . . ?
 C15 C14 H14 120.3 . . ?
 C15 C14 C13 119.5(2) . . ?
 C13 C14 H14 120.3 . . ?
 N5 C22 C8 175.6(3) . . ?
 O3 C18 C17 125.6(2) . . ?
 O3 C18 C19 114.9(3) . . ?
 C17 C18 C19 119.5(2) . . ?
 C12 C13 H13 120.3 . . ?
 C14 C13 C12 119.3(2) . . ?
 C14 C13 H13 120.3 . . ?
 O2 C16 C17 125.6(2) . . ?
 O2 C16 C20 114.1(3) . . ?
 C17 C16 C20 120.3(3) . . ?
 C5 C4 H4 120.4 . . ?
 C5 C4 C3 119.1(2) . . ?
 C3 C4 H4 120.4 . . ?
 C2 C3 C4 120.7(2) . . ?
 C2 C3 H3 119.7 . . ?
 C4 C3 H3 119.7 . . ?
 C18 C17 H17 117.6 . . ?
 C16 C17 C18 124.9(2) . . ?
 C16 C17 H17 117.6 . . ?
 C18 C19 H19A 109.5 . . ?
 C18 C19 H19B 109.5 . . ?
 C18 C19 H19C 109.5 . . ?
 H19A C19 H19B 109.5 . . ?
 H19A C19 H19C 109.5 . . ?
 H19B C19 H19C 109.5 . . ?
 C16 C20 H20A 109.5 . . ?
 C16 C20 H20B 109.5 . . ?
 C16 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?

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 N1 C8 C9 4.0(2) . . . . ?
 Co1 N1 C8 C22 177.34(17) . . . . ?
 Co1 N1 C7 C6 -10.5(3) . . . . ?
 Co1 O1 C1 C6 -1.0(3) . . . . ?
 Co1 O1 C1 C2 177.93(16) . . . . ?
 Co1 N2 C10 C11 39.42(19) . . . . ?
 Co1 N2 C9 C8 7.8(2) . . . . ?
 Co1 N2 C9 C21 -171.44(16) . . . . ?
 Co1 O2 C16 C17 5.6(4) . . . . ?
 Co1 O2 C16 C20 -174.8(2) . . . . ?
 Co1 N3 C11 C10 -7.2(2) . . . . ?
 Co1 N3 C11 C12 175.20(16) . . . . ?
 Co1 N3 C15 C14 -175.37(18) . . . . ?
 Co1 O3 C18 C17 -6.6(4) . . . . ?
 Co1 O3 C18 C19 173.04(18) . . . . ?
 N1 Co1 O1 C1 -6.94(17) . . . . ?
 N1 Co1 N2 C10 -130.60(14) . . . . ?
 N1 Co1 N2 C9 -4.16(14) . . . . ?
 N1 Co1 O3 C18 -166.91(19) . . . . ?
 N1 C8 C9 N2 -8.1(3) . . . . ?
 N1 C8 C9 C21 171.22(18) . . . . ?
 O1 Co1 N1 C8 -175.05(13) . . . . ?
 O1 Co1 N1 C7 12.50(17) . . . . ?
 O1 Co1 O2 C16 -102.50(19) . . . . ?
 O1 Co1 O3 C18 98.60(19) . . . . ?
 O1 C1 C2 C3 177.7(2) . . . . ?
 N2 Co1 N1 C8 0.14(13) . . . . ?
 N2 Co1 N1 C7 -172.31(17) . . . . ?
 N2 Co1 O2 C16 82.31(19) . . . . ?
 N2 Co1 O3 C18 -80.81(19) . . . . ?
 N2 C10 C11 N3 -20.7(2) . . . . ?
 N2 C10 C11 C12 156.8(2) . . . . ?
 O2 Co1 O1 C1 172.77(17) . . . . ?
 O2 Co1 N2 C10 49.85(14) . . . . ?
 O2 Co1 N2 C9 176.29(14) . . . . ?
 O2 Co1 O3 C18 11.10(19) . . . . ?
 O2 C16 C17 C18 3.0(5) . . . . ?
 N3 Co1 N1 C8 -81.17(13) . . . . ?
 N3 Co1 N1 C7 106.38(17) . . . . ?
 N3 Co1 O1 C1 -101.54(17) . . . . ?
 N3 Co1 N2 C10 -35.74(13) . . . . ?
 N3 Co1 N2 C9 90.71(14) . . . . ?
 N3 Co1 O2 C16 163.78(19) . . . . ?
 N3 C11 C12 C13 0.9(3) . . . . ?
 N3 C15 C14 C13 0.1(4) . . . . ?
 O3 Co1 N1 C8 93.32(13) . . . . ?
 O3 Co1 N1 C7 -79.13(17) . . . . ?
 O3 Co1 O1 C1 77.40(17) . . . . ?
 O3 Co1 N2 C10 145.40(13) . . . . ?
 O3 Co1 N2 C9 -88.16(14) . . . . ?
 O3 Co1 O2 C16 -10.66(19) . . . . ?
 O3 C18 C17 C16 -2.4(5) . . . . ?
 C6 C1 C2 C3 -3.2(4) . . . . ?
 C6 C5 C4 C3 -0.3(5) . . . . ?
 C8 N1 C7 C6 178.00(19) . . . . ?
 C10 N2 C9 C8 131.1(2) . . . . ?
 C10 N2 C9 C21 -48.2(3) . . . . ?
 C10 C11 C12 C13 -176.4(2) . . . . ?
 C11 N3 C15 C14 1.8(3) . . . . ?
 C11 C12 C13 C14 0.9(4) . . . . ?
 C9 N2 C10 C11 -84.1(2) . . . . ?
 C1 C6 C7 N1 -0.9(3) . . . . ?
 C1 C6 C5 C4 -2.8(4) . . . . ?
 C1 C2 C3 C4 0.2(5) . . . . ?
 C7 N1 C8 C9 176.57(18) . . . . ?
 C7 N1 C8 C22 -10.1(3) . . . . ?
 C7 C6 C1 O1 7.1(3) . . . . ?
 C7 C6 C1 C2 -171.9(2) . . . . ?
 C7 C6 C5 C4 173.7(3) . . . . ?
 C15 N3 C11 C10 175.33(18) . . . . ?
 C15 N3 C11 C12 -2.3(3) . . . . ?
 C15 C14 C13 C12 -1.4(4) . . . . ?
 C5 C6 C1 O1 -176.6(2) . . . . ?
 C5 C6 C1 C2 4.4(3) . . . . ?
 C5 C6 C7 N1 -177.3(2) . . . . ?
 C5 C4 C3 C2 1.6(5) . . . . ?
 C22 C8 C9 N2 178.71(19) . . . . ?
 C22 C8 C9 C21 -2.0(3) . . . . ?
 C19 C18 C17 C16 177.9(3) . . . . ?
 C20 C16 C17 C18 -176.6(3) . . . . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 0.500 0.000 0.000 283.9 93.4 '2 DCM'

_smtbx_masks_void_probe_radius     1.2
_smtbx_masks_void_truncation_radius  1.2
_olex2_submission_special_instructions  'No special instructions were received'
