# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_jmc_071403_0m
_database_code_depnum_ccdc_archive 'CCDC 1578133'
_audit_update_record             
;
2017-10-04 deposited with the CCDC.
2017-12-11 downloaded from the CCDC.
;
_audit_creation_date             2017-10-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        Co(BMPC)
_chemical_formula_moiety         'C22 H34 Co N6, Cl4 Co'
_chemical_formula_sum            'C22 H34 Cl4 Co2 N6'
_chemical_formula_weight         642.21
_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'
Cl Cl 0.1484 0.1585 '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'

_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                   13.8045(5)
_cell_length_b                   12.9067(5)
_cell_length_c                   15.2447(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.3640(8)
_cell_angle_gamma                90
_cell_volume                     2631.25(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9588
_cell_measurement_temperature    90
_cell_measurement_theta_max      33.67
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.691
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/2 (Bruker,2014/2) was used for absorption correction. wR2(int) was 0.1066 before and 0.0368 after correction. The Ratio of minimum to maximum transmission is 0.8149. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            72080
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         33.757
_diffrn_reflns_theta_min         1.783
_diffrn_ambient_temperature      90
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus rotating anode'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9379
_reflns_number_total             10527
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.977
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         10527
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+1.1026P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0617
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N6(H6), N4(H4)
2.b Secondary CH2 refined with riding coordinates:
 C22(H22a,H22b), C1(H1a,H1b), C20(H20a,H20b), C10(H10a,H10b), C21(H21a,H21b),
 C8(H8a,H8b), C12(H12a,H12b), C11(H11a,H11b), C19(H19a,H19b), C9(H9a,H9b)
2.c Aromatic/amide H refined with riding coordinates:
 C14(H14), C16(H16), C3(H3), C15(H15), C4(H4a), C5(H5)
2.d Idealised Me refined as rotating group:
 C7(H7a,H7b,H7c), C18(H18a,H18b,H18c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.51655(2) 0.68793(2) 0.74691(2) 0.00865(3) Uani 1 1 d . . . . .
Co2 Co 0.25083(2) 0.17369(2) 0.50874(2) 0.01265(3) Uani 1 1 d . . . . .
Cl1 Cl 0.29055(2) 0.08900(2) 0.39026(2) 0.01507(4) Uani 1 1 d . . . . .
Cl2 Cl 0.21681(2) 0.05142(2) 0.60434(2) 0.01444(4) Uani 1 1 d . . . . .
Cl3 Cl 0.38884(2) 0.26785(2) 0.57728(2) 0.01734(5) Uani 1 1 d . . . . .
Cl4 Cl 0.12211(2) 0.28671(2) 0.45875(2) 0.02691(6) Uani 1 1 d . . . . .
N1 N 0.51257(6) 0.85235(6) 0.71778(5) 0.01074(13) Uani 1 1 d . . . . .
N2 N 0.35180(6) 0.67462(6) 0.69256(6) 0.01117(13) Uani 1 1 d . . . . .
N6 N 0.64095(6) 0.67591(6) 0.68194(6) 0.01222(14) Uani 1 1 d . . . . .
H6 H 0.639484 0.738761 0.643269 0.015 Uiso 1 1 calc R . . . .
N3 N 0.64131(6) 0.75188(7) 0.85473(5) 0.01239(14) Uani 1 1 d . . . . .
N5 N 0.49552(6) 0.52926(6) 0.69022(6) 0.01175(13) Uani 1 1 d . . . . .
N4 N 0.50307(6) 0.60069(7) 0.86535(6) 0.01285(14) Uani 1 1 d . . . . .
H4 H 0.431608 0.603197 0.868482 0.015 Uiso 1 1 calc R . . . .
C22 C 0.73062(7) 0.76484(8) 0.81825(7) 0.01511(17) Uani 1 1 d . . . . .
H22A H 0.791720 0.764767 0.868648 0.018 Uiso 1 1 calc R . . . .
H22B H 0.726922 0.832117 0.786399 0.018 Uiso 1 1 calc R . . . .
C1 C 0.60382(8) 0.85323(8) 0.87588(7) 0.01592(17) Uani 1 1 d . . . . .
H1A H 0.659771 0.894444 0.912758 0.019 Uiso 1 1 calc R . . . .
H1B H 0.553765 0.843082 0.911704 0.019 Uiso 1 1 calc R . . . .
C20 C 0.63172(8) 0.58413(8) 0.62286(7) 0.01500(17) Uani 1 1 d . . . . .
H20A H 0.698403 0.564196 0.615244 0.018 Uiso 1 1 calc R . . . .
H20B H 0.588216 0.600444 0.562391 0.018 Uiso 1 1 calc R . . . .
C10 C 0.52888(8) 0.49153(8) 0.85197(7) 0.01480(17) Uani 1 1 d . . . . .
H10A H 0.510934 0.447017 0.898425 0.018 Uiso 1 1 calc R . . . .
H10B H 0.601656 0.485006 0.857759 0.018 Uiso 1 1 calc R . . . .
C14 C 0.22637(8) 0.56267(9) 0.60263(7) 0.01732(18) Uani 1 1 d . . . . .
H14 H 0.210178 0.503905 0.564262 0.021 Uiso 1 1 calc R . . . .
C13 C 0.32504(7) 0.59328(7) 0.63577(6) 0.01261(15) Uani 1 1 d . . . . .
C21 C 0.73599(7) 0.67757(8) 0.75327(7) 0.01551(17) Uani 1 1 d . . . . .
H21A H 0.792989 0.688683 0.725714 0.019 Uiso 1 1 calc R . . . .
H21B H 0.745846 0.610613 0.785961 0.019 Uiso 1 1 calc R . . . .
C7 C 0.43253(8) 0.83549(8) 0.55590(7) 0.01497(17) Uani 1 1 d . . . . .
H7A H 0.488084 0.801745 0.537689 0.022 Uiso 1 1 calc GR . . . .
H7B H 0.395705 0.879586 0.506455 0.022 Uiso 1 1 calc GR . . . .
H7C H 0.387514 0.782611 0.569635 0.022 Uiso 1 1 calc GR . . . .
C2 C 0.55676(7) 0.91100(7) 0.79008(7) 0.01278(15) Uani 1 1 d . . . . .
C16 C 0.17852(8) 0.70331(9) 0.68425(8) 0.01914(19) Uani 1 1 d . . . . .
H16 H 0.128384 0.743352 0.701267 0.023 Uiso 1 1 calc R . . . .
C8 C 0.66270(8) 0.68320(8) 0.93487(7) 0.01526(17) Uani 1 1 d . . . . .
H8A H 0.699865 0.722086 0.988720 0.018 Uiso 1 1 calc R . . . .
H8B H 0.704791 0.624411 0.924928 0.018 Uiso 1 1 calc R . . . .
C6 C 0.47275(7) 0.90052(7) 0.63835(6) 0.01165(15) Uani 1 1 d . . . . .
C12 C 0.40972(8) 0.53755(7) 0.61020(7) 0.01404(16) Uani 1 1 d . . . . .
H12A H 0.387688 0.467445 0.587326 0.017 Uiso 1 1 calc R . . . .
H12B H 0.430002 0.575962 0.561443 0.017 Uiso 1 1 calc R . . . .
C3 C 0.55889(8) 1.01779(8) 0.78752(8) 0.01689(18) Uani 1 1 d . . . . .
H3 H 0.590538 1.056580 0.839734 0.020 Uiso 1 1 calc R . . . .
C11 C 0.47146(8) 0.45795(8) 0.75842(7) 0.01465(17) Uani 1 1 d . . . . .
H11A H 0.490083 0.386139 0.746669 0.018 Uiso 1 1 calc R . . . .
H11B H 0.398759 0.459665 0.754246 0.018 Uiso 1 1 calc R . . . .
C19 C 0.58707(8) 0.49485(7) 0.66502(7) 0.01476(17) Uani 1 1 d . . . . .
H19A H 0.570762 0.436889 0.621296 0.018 Uiso 1 1 calc R . . . .
H19B H 0.636472 0.469682 0.719533 0.018 Uiso 1 1 calc R . . . .
C17 C 0.27939(7) 0.72904(8) 0.71748(7) 0.01375(16) Uani 1 1 d . . . . .
C9 C 0.56550(8) 0.64270(9) 0.95105(7) 0.01609(17) Uani 1 1 d . . . . .
H9A H 0.579652 0.587634 0.997708 0.019 Uiso 1 1 calc R . . . .
H9B H 0.529462 0.699460 0.973095 0.019 Uiso 1 1 calc R . . . .
C15 C 0.15175(8) 0.61994(10) 0.62686(8) 0.0208(2) Uani 1 1 d . . . . .
H15 H 0.083387 0.601892 0.604207 0.025 Uiso 1 1 calc R . . . .
C4 C 0.51371(8) 1.06729(8) 0.70686(8) 0.01839(19) Uani 1 1 d . . . . .
H4A H 0.511807 1.140793 0.703518 0.022 Uiso 1 1 calc R . . . .
C5 C 0.47161(7) 1.00814(8) 0.63162(7) 0.01553(17) Uani 1 1 d . . . . .
H5 H 0.441993 1.040709 0.575492 0.019 Uiso 1 1 calc R . . . .
C18 C 0.30916(8) 0.81753(8) 0.78187(8) 0.01871(19) Uani 1 1 d . . . . .
H18A H 0.371622 0.800494 0.826270 0.028 Uiso 1 1 calc GR . . . .
H18B H 0.256409 0.830338 0.813313 0.028 Uiso 1 1 calc GR . . . .
H18C H 0.318944 0.879745 0.748234 0.028 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 N1 2.1660(8) . ?
Co1 N2 2.2256(8) . ?
Co1 N6 2.1905(8) . ?
Co1 N3 2.2236(8) . ?
Co1 N5 2.2137(8) . ?
Co1 N4 2.1746(8) . ?
Co2 Cl1 2.2911(3) . ?
Co2 Cl2 2.2747(3) . ?
Co2 Cl3 2.2827(3) . ?
Co2 Cl4 2.2791(3) . ?
N1 C2 1.3514(12) . ?
N1 C6 1.3508(12) . ?
N2 C13 1.3526(12) . ?
N2 C17 1.3510(12) . ?
N6 H6 1.0000 . ?
N6 C20 1.4743(13) . ?
N6 C21 1.4820(13) . ?
N3 C22 1.4823(13) . ?
N3 C1 1.4716(13) . ?
N3 C8 1.4786(13) . ?
N5 C12 1.4783(13) . ?
N5 C11 1.4866(12) . ?
N5 C19 1.4775(13) . ?
N4 H4 1.0000 . ?
N4 C10 1.4797(13) . ?
N4 C9 1.4782(13) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C21 1.5140(15) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.5058(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C19 1.5223(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.5129(15) . ?
C14 H14 0.9500 . ?
C14 C13 1.3874(14) . ?
C14 C15 1.3902(16) . ?
C13 C12 1.5040(14) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 C6 1.4988(14) . ?
C2 C3 1.3794(14) . ?
C16 H16 0.9500 . ?
C16 C17 1.3985(15) . ?
C16 C15 1.3782(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.5161(15) . ?
C6 C5 1.3927(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3888(16) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C17 C18 1.4957(15) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C15 H15 0.9500 . ?
C4 H4A 0.9500 . ?
C4 C5 1.3804(15) . ?
C5 H5 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
N1 Co1 N2 91.58(3) . . ?
N1 Co1 N6 87.68(3) . . ?
N1 Co1 N3 76.32(3) . . ?
N1 Co1 N5 146.31(3) . . ?
N1 Co1 N4 132.41(3) . . ?
N6 Co1 N2 132.03(3) . . ?
N6 Co1 N3 79.06(3) . . ?
N6 Co1 N5 78.44(3) . . ?
N3 Co1 N2 146.76(3) . . ?
N5 Co1 N2 76.13(3) . . ?
N5 Co1 N3 129.38(3) . . ?
N4 Co1 N2 88.80(3) . . ?
N4 Co1 N6 125.24(3) . . ?
N4 Co1 N3 77.80(3) . . ?
N4 Co1 N5 79.35(3) . . ?
Cl2 Co2 Cl1 107.574(10) . . ?
Cl2 Co2 Cl3 110.953(11) . . ?
Cl2 Co2 Cl4 112.988(11) . . ?
Cl3 Co2 Cl1 106.202(10) . . ?
Cl4 Co2 Cl1 111.161(12) . . ?
Cl4 Co2 Cl3 107.772(13) . . ?
C2 N1 Co1 113.47(6) . . ?
C6 N1 Co1 128.22(6) . . ?
C6 N1 C2 118.31(8) . . ?
C13 N2 Co1 112.94(6) . . ?
C17 N2 Co1 127.90(7) . . ?
C17 N2 C13 118.67(9) . . ?
Co1 N6 H6 107.8 . . ?
C20 N6 Co1 111.99(6) . . ?
C20 N6 H6 107.8 . . ?
C20 N6 C21 112.73(8) . . ?
C21 N6 Co1 108.53(6) . . ?
C21 N6 H6 107.8 . . ?
C22 N3 Co1 109.17(6) . . ?
C1 N3 Co1 104.00(6) . . ?
C1 N3 C22 110.63(8) . . ?
C1 N3 C8 111.15(8) . . ?
C8 N3 Co1 110.33(6) . . ?
C8 N3 C22 111.31(8) . . ?
C12 N5 Co1 104.83(6) . . ?
C12 N5 C11 110.47(8) . . ?
C11 N5 Co1 109.27(6) . . ?
C19 N5 Co1 109.99(6) . . ?
C19 N5 C12 111.66(8) . . ?
C19 N5 C11 110.46(7) . . ?
Co1 N4 H4 108.2 . . ?
C10 N4 Co1 107.79(6) . . ?
C10 N4 H4 108.2 . . ?
C9 N4 Co1 113.13(6) . . ?
C9 N4 H4 108.2 . . ?
C9 N4 C10 111.32(8) . . ?
N3 C22 H22A 109.7 . . ?
N3 C22 H22B 109.7 . . ?
N3 C22 C21 109.99(8) . . ?
H22A C22 H22B 108.2 . . ?
C21 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
N3 C1 H1A 109.6 . . ?
N3 C1 H1B 109.6 . . ?
N3 C1 C2 110.44(8) . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
N6 C20 H20A 109.8 . . ?
N6 C20 H20B 109.8 . . ?
N6 C20 C19 109.45(8) . . ?
H20A C20 H20B 108.2 . . ?
C19 C20 H20A 109.8 . . ?
C19 C20 H20B 109.8 . . ?
N4 C10 H10A 110.0 . . ?
N4 C10 H10B 110.0 . . ?
N4 C10 C11 108.35(8) . . ?
H10A C10 H10B 108.4 . . ?
C11 C10 H10A 110.0 . . ?
C11 C10 H10B 110.0 . . ?
C13 C14 H14 120.8 . . ?
C13 C14 C15 118.49(10) . . ?
C15 C14 H14 120.8 . . ?
N2 C13 C14 122.80(9) . . ?
N2 C13 C12 115.51(8) . . ?
C14 C13 C12 121.70(9) . . ?
N6 C21 C22 108.22(8) . . ?
N6 C21 H21A 110.1 . . ?
N6 C21 H21B 110.1 . . ?
C22 C21 H21A 110.1 . . ?
C22 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
N1 C2 C1 116.18(8) . . ?
N1 C2 C3 123.04(9) . . ?
C3 C2 C1 120.78(9) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.09(10) . . ?
N3 C8 H8A 109.7 . . ?
N3 C8 H8B 109.7 . . ?
N3 C8 C9 109.74(8) . . ?
H8A C8 H8B 108.2 . . ?
C9 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
N1 C6 C7 118.54(8) . . ?
N1 C6 C5 121.31(9) . . ?
C5 C6 C7 120.12(9) . . ?
N5 C12 C13 109.63(8) . . ?
N5 C12 H12A 109.7 . . ?
N5 C12 H12B 109.7 . . ?
C13 C12 H12A 109.7 . . ?
C13 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C2 C3 H3 120.8 . . ?
C2 C3 C4 118.47(10) . . ?
C4 C3 H3 120.8 . . ?
N5 C11 C10 109.04(8) . . ?
N5 C11 H11A 109.9 . . ?
N5 C11 H11B 109.9 . . ?
C10 C11 H11A 109.9 . . ?
C10 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
N5 C19 C20 110.14(8) . . ?
N5 C19 H19A 109.6 . . ?
N5 C19 H19B 109.6 . . ?
C20 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
N2 C17 C16 120.96(10) . . ?
N2 C17 C18 118.66(9) . . ?
C16 C17 C18 120.38(9) . . ?
N4 C9 C8 109.15(8) . . ?
N4 C9 H9A 109.9 . . ?
N4 C9 H9B 109.9 . . ?
C8 C9 H9A 109.9 . . ?
C8 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 118.96(10) . . ?
C16 C15 H15 120.5 . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 C3 119.03(9) . . ?
C5 C4 H4A 120.5 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.72(10) . . ?
C4 C5 H5 120.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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 C2 C1 2.25(10) . . . . ?
Co1 N1 C2 C3 -177.16(8) . . . . ?
Co1 N1 C6 C7 -5.49(12) . . . . ?
Co1 N1 C6 C5 176.62(7) . . . . ?
Co1 N2 C13 C14 171.99(7) . . . . ?
Co1 N2 C13 C12 -8.18(10) . . . . ?
Co1 N2 C17 C16 -172.46(7) . . . . ?
Co1 N2 C17 C18 7.30(13) . . . . ?
Co1 N6 C20 C19 -36.04(9) . . . . ?
Co1 N6 C21 C22 -46.57(9) . . . . ?
Co1 N3 C22 C21 -36.08(9) . . . . ?
Co1 N3 C1 C2 -46.06(9) . . . . ?
Co1 N3 C8 C9 -39.65(9) . . . . ?
Co1 N5 C12 C13 -49.24(8) . . . . ?
Co1 N5 C11 C10 -35.33(9) . . . . ?
Co1 N5 C19 C20 -39.51(9) . . . . ?
Co1 N4 C10 C11 -48.60(8) . . . . ?
Co1 N4 C9 C8 -35.88(10) . . . . ?
N1 C2 C3 C4 -0.13(15) . . . . ?
N1 C6 C5 C4 1.36(15) . . . . ?
N2 C13 C12 N5 39.87(11) . . . . ?
N6 C20 C19 N5 50.33(11) . . . . ?
N3 C22 C21 N6 55.89(10) . . . . ?
N3 C1 C2 N1 31.29(12) . . . . ?
N3 C1 C2 C3 -149.29(9) . . . . ?
N3 C8 C9 N4 49.76(11) . . . . ?
N4 C10 C11 N5 56.70(10) . . . . ?
C22 N3 C1 C2 71.03(10) . . . . ?
C22 N3 C8 C9 -161.02(8) . . . . ?
C1 N3 C22 C21 -149.94(8) . . . . ?
C1 N3 C8 C9 75.18(10) . . . . ?
C1 C2 C3 C4 -179.52(9) . . . . ?
C20 N6 C21 C22 -171.23(8) . . . . ?
C10 N4 C9 C8 85.67(10) . . . . ?
C14 C13 C12 N5 -140.29(9) . . . . ?
C13 N2 C17 C16 -1.08(14) . . . . ?
C13 N2 C17 C18 178.68(9) . . . . ?
C13 C14 C15 C16 -1.41(15) . . . . ?
C21 N6 C20 C19 86.70(10) . . . . ?
C7 C6 C5 C4 -176.49(9) . . . . ?
C2 N1 C6 C7 174.17(8) . . . . ?
C2 N1 C6 C5 -3.72(13) . . . . ?
C2 C3 C4 C5 -2.28(16) . . . . ?
C8 N3 C22 C21 85.96(10) . . . . ?
C8 N3 C1 C2 -164.77(8) . . . . ?
C6 N1 C2 C1 -177.46(8) . . . . ?
C6 N1 C2 C3 3.13(14) . . . . ?
C12 N5 C11 C10 -150.15(8) . . . . ?
C12 N5 C19 C20 76.43(10) . . . . ?
C3 C4 C5 C6 1.69(15) . . . . ?
C11 N5 C12 C13 68.36(10) . . . . ?
C11 N5 C19 C20 -160.22(8) . . . . ?
C19 N5 C12 C13 -168.29(8) . . . . ?
C19 N5 C11 C10 85.80(10) . . . . ?
C17 N2 C13 C14 -0.63(14) . . . . ?
C17 N2 C13 C12 179.20(8) . . . . ?
C17 C16 C15 C14 -0.22(16) . . . . ?
C9 N4 C10 C11 -173.20(8) . . . . ?
C15 C14 C13 N2 1.89(15) . . . . ?
C15 C14 C13 C12 -177.93(9) . . . . ?
C15 C16 C17 N2 1.51(15) . . . . ?
C15 C16 C17 C18 -178.24(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
