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

####################################################################### 
# 
# 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_CoNH2
_database_code_depnum_ccdc_archive 'CCDC 2298764'
loop_
_audit_author_name
_audit_author_address
'V RAMKUMAR '
;IIT Madras
India
;
_audit_update_record             
;
2023-10-02 deposited with the CCDC.	2024-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H28 Cl2 Co N3'
_chemical_formula_sum            'C21 H28 Cl2 Co N3'
_chemical_formula_weight         452.29

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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.4791(3)
_cell_length_b                   15.9525(4)
_cell_length_c                   12.9626(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.6049(14)
_cell_angle_gamma                90
_cell_volume                     2136.55(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4580
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      24.75

_exptl_crystal_description       Block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_F_000             944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.064
_shelx_estimated_absorpt_T_min   0.848
_shelx_estimated_absorpt_T_max   0.901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16720
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.042
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3765
_reflns_number_gt                3014
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0375P)²+0.9015P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3765
_refine_ls_number_parameters     258
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0802
_refine_ls_wR_factor_gt          0.0726
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_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
C1 C 0.7161(2) 0.19684(17) 0.3295(2) 0.0379(6) Uani 1 1 d . . . . .
C2 C 0.6029(3) 0.24356(16) 0.3426(2) 0.0385(6) Uani 1 1 d . . . . .
C3 C 0.5047(2) 0.22516(15) 0.25709(19) 0.0324(6) Uani 1 1 d . . . . .
C4 C 0.5533(2) 0.16306(15) 0.19397(18) 0.0300(6) Uani 1 1 d . . . . .
C5 C 0.6861(2) 0.14905(16) 0.23731(19) 0.0339(6) Uani 1 1 d . . . . .
C6 C 0.7772(3) 0.0983(2) 0.1855(3) 0.0611(9) Uani 1 1 d . . . . .
H6A H 0.8019 0.1298 0.1289 0.092 Uiso 1 1 calc R U . . .
H6B H 0.7353 0.0473 0.1588 0.092 Uiso 1 1 calc R U . . .
H6C H 0.8528 0.0850 0.2354 0.092 Uiso 1 1 calc R U . . .
C7 C 0.8452(3) 0.2020(2) 0.3995(3) 0.0641(10) Uani 1 1 d . . . . .
H7A H 0.9029 0.1614 0.3776 0.096 Uiso 1 1 calc R U . . .
H7B H 0.8348 0.1906 0.4703 0.096 Uiso 1 1 calc R U . . .
H7C H 0.8805 0.2571 0.3953 0.096 Uiso 1 1 calc R U . . .
C8 C 0.5932(4) 0.30358(19) 0.4297(2) 0.0689(11) Uani 1 1 d . . . . .
H8A H 0.6492 0.2855 0.4920 0.103 Uiso 1 1 calc R U . . .
H8B H 0.5055 0.3052 0.4424 0.103 Uiso 1 1 calc R U . . .
H8C H 0.6186 0.3585 0.4107 0.103 Uiso 1 1 calc R U . . .
C9 C 0.3738(3) 0.26490(18) 0.2352(2) 0.0492(8) Uani 1 1 d . . . . .
H9A H 0.3798 0.3180 0.2016 0.074 Uiso 1 1 calc R U . . .
H9B H 0.3420 0.2731 0.2998 0.074 Uiso 1 1 calc R U . . .
H9C H 0.3155 0.2291 0.1902 0.074 Uiso 1 1 calc R U . . .
C10 C 0.4866(3) 0.12966(19) 0.0913(2) 0.0467(7) Uani 1 1 d . . . . .
H10A H 0.3946 0.1311 0.0893 0.070 Uiso 1 1 calc R U . . .
H10B H 0.5136 0.0729 0.0830 0.070 Uiso 1 1 calc R U . . .
H10C H 0.5087 0.1635 0.0356 0.070 Uiso 1 1 calc R U . . .
C11 C 0.3066(2) 0.05163(14) 0.27481(18) 0.0271(5) Uani 1 1 d . . . . .
C12 C 0.1860(2) 0.08401(17) 0.2358(2) 0.0385(6) Uani 1 1 d . . . . .
H12 H 0.1536 0.1288 0.2695 0.046 Uiso 1 1 calc R U . . .
C13 C 0.1131(3) 0.0500(2) 0.1468(2) 0.0494(8) Uani 1 1 d . . . . .
H13 H 0.0325 0.0725 0.1199 0.059 Uiso 1 1 calc R U . . .
C14 C 0.1597(3) -0.01698(19) 0.0982(2) 0.0481(8) Uani 1 1 d . . . . .
H14 H 0.1099 -0.0399 0.0388 0.058 Uiso 1 1 calc R U . . .
C15 C 0.2788(3) -0.05065(17) 0.1360(2) 0.0394(7) Uani 1 1 d . . . . .
H15 H 0.3094 -0.0962 0.1025 0.047 Uiso 1 1 calc R U . . .
C16 C 0.3535(2) -0.01636(15) 0.22462(18) 0.0294(6) Uani 1 1 d . . . . .
C17 C 0.5128(3) -0.13309(16) 0.2589(2) 0.0399(7) Uani 1 1 d . . . . .
H17 H 0.4611 -0.1765 0.2274 0.048 Uiso 1 1 calc R U . . .
C18 C 0.6342(3) -0.13911(17) 0.3088(2) 0.0445(7) Uani 1 1 d . . . . .
H18 H 0.6832 -0.1880 0.3191 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5788(2) -0.00317(15) 0.31532(17) 0.0266(5) Uani 1 1 d . . . . .
C20 C 0.8021(2) -0.04080(17) 0.4046(2) 0.0403(7) Uani 1 1 d . . . . .
H20A H 0.8044 -0.0610 0.4754 0.048 Uiso 1 1 calc R U . . .
H20B H 0.8141 0.0195 0.4079 0.048 Uiso 1 1 calc R U . . .
C21 C 0.9128(3) -0.0802(2) 0.3596(3) 0.0585(9) Uani 1 1 d . . . . .
H21A H 0.9118 -0.1398 0.3695 0.088 Uiso 1 1 calc R U . . .
H21B H 0.9935 -0.0578 0.3947 0.088 Uiso 1 1 calc R U . . .
H21C H 0.9030 -0.0679 0.2862 0.088 Uiso 1 1 calc R U . . .
Cl1 Cl 0.62959(6) 0.09945(4) 0.51786(5) 0.03605(17) Uani 1 1 d . . . . .
Cl2 Cl 0.79275(8) 0.76509(4) 0.54476(6) 0.0493(2) Uani 1 1 d . . . . .
Co1 Co 0.56514(3) 0.11458(2) 0.34229(2) 0.02409(11) Uani 1 1 d . . . . .
N1 N 0.38583(19) 0.08753(14) 0.36485(16) 0.0258(4) Uani 1 1 d . . . . .
N2 N 0.47859(19) -0.04945(12) 0.26329(15) 0.0294(5) Uani 1 1 d . . . . .
N3 N 0.6747(2) -0.05962(12) 0.34252(16) 0.0335(5) Uani 1 1 d . . . . .
H2N H 0.399(2) 0.0481(16) 0.4132(19) 0.025(7) Uiso 1 1 d . . . . .
H1N H 0.345(3) 0.1360(18) 0.389(2) 0.042(8) Uiso 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
C1 C5 1.408(4) . ?
C1 C2 1.435(4) . ?
C1 C7 1.500(4) . ?
C1 Co1 2.083(2) . ?
C2 C3 1.411(4) . ?
C2 C8 1.497(4) . ?
C2 Co1 2.095(3) . ?
C3 C4 1.431(3) . ?
C3 C9 1.495(4) . ?
C3 Co1 2.121(2) . ?
C4 C5 1.429(3) . ?
C4 C10 1.495(3) . ?
C4 Co1 2.057(2) . ?
C5 C6 1.494(4) . ?
C5 Co1 2.082(2) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.381(3) . ?
C11 C16 1.396(3) . ?
C11 N1 1.434(3) . ?
C12 C13 1.384(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.372(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.390(3) . ?
C15 H15 0.9300 . ?
C16 N2 1.424(3) . ?
C17 C18 1.331(4) . ?
C17 N2 1.385(3) . ?
C17 H17 0.9300 . ?
C18 N3 1.385(3) . ?
C18 H18 0.9300 . ?
C19 N3 1.352(3) . ?
C19 N2 1.366(3) . ?
C19 Co1 1.920(2) . ?
C20 N3 1.470(3) . ?
C20 C21 1.518(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
Cl1 Co1 2.2762(7) . ?
Co1 N1 1.996(2) . ?
N1 H2N 0.88(3) . ?
N1 H1N 0.96(3) . ?

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
C5 C1 C2 108.0(2) . . ?
C5 C1 C7 126.4(3) . . ?
C2 C1 C7 125.5(3) . . ?
C5 C1 Co1 70.21(14) . . ?
C2 C1 Co1 70.35(14) . . ?
C7 C1 Co1 127.34(19) . . ?
C3 C2 C1 107.9(2) . . ?
C3 C2 C8 126.4(3) . . ?
C1 C2 C8 125.7(3) . . ?
C3 C2 Co1 71.44(14) . . ?
C1 C2 Co1 69.47(14) . . ?
C8 C2 Co1 126.4(2) . . ?
C2 C3 C4 108.1(2) . . ?
C2 C3 C9 125.9(2) . . ?
C4 C3 C9 126.0(2) . . ?
C2 C3 Co1 69.45(14) . . ?
C4 C3 Co1 67.56(13) . . ?
C9 C3 Co1 129.51(18) . . ?
C5 C4 C3 107.4(2) . . ?
C5 C4 C10 125.1(2) . . ?
C3 C4 C10 126.7(2) . . ?
C5 C4 Co1 70.78(13) . . ?
C3 C4 Co1 72.40(13) . . ?
C10 C4 Co1 130.16(18) . . ?
C1 C5 C4 108.3(2) . . ?
C1 C5 C6 127.3(3) . . ?
C4 C5 C6 124.1(3) . . ?
C1 C5 Co1 70.27(14) . . ?
C4 C5 Co1 68.84(13) . . ?
C6 C5 Co1 130.90(19) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 119.5(2) . . ?
C12 C11 N1 121.2(2) . . ?
C16 C11 N1 119.3(2) . . ?
C11 C12 C13 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.9(3) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C16 119.6(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C15 C16 C11 119.8(2) . . ?
C15 C16 N2 120.2(2) . . ?
C11 C16 N2 119.9(2) . . ?
C18 C17 N2 106.4(2) . . ?
C18 C17 H17 126.8 . . ?
N2 C17 H17 126.8 . . ?
C17 C18 N3 107.7(2) . . ?
C17 C18 H18 126.1 . . ?
N3 C18 H18 126.1 . . ?
N3 C19 N2 104.2(2) . . ?
N3 C19 Co1 132.76(18) . . ?
N2 C19 Co1 122.96(17) . . ?
N3 C20 C21 112.8(2) . . ?
N3 C20 H20A 109.0 . . ?
C21 C20 H20A 109.0 . . ?
N3 C20 H20B 109.0 . . ?
C21 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 Co1 N1 85.17(9) . . ?
C19 Co1 C4 101.09(10) . . ?
N1 Co1 C4 107.86(9) . . ?
C19 Co1 C5 93.86(10) . . ?
N1 Co1 C5 147.48(9) . . ?
C4 Co1 C5 40.38(9) . . ?
C19 Co1 C1 121.40(11) . . ?
N1 Co1 C1 153.33(10) . . ?
C4 Co1 C1 67.49(10) . . ?
C5 Co1 C1 39.52(10) . . ?
C19 Co1 C2 160.26(10) . . ?
N1 Co1 C2 113.20(10) . . ?
C4 Co1 C2 67.33(10) . . ?
C5 Co1 C2 66.85(11) . . ?
C1 Co1 C2 40.18(11) . . ?
C19 Co1 C3 138.04(10) . . ?
N1 Co1 C3 92.85(9) . . ?
C4 Co1 C3 40.03(9) . . ?
C5 Co1 C3 66.51(10) . . ?
C1 Co1 C3 66.38(10) . . ?
C2 Co1 C3 39.11(10) . . ?
C19 Co1 Cl1 93.42(7) . . ?
N1 Co1 Cl1 87.71(6) . . ?
C4 Co1 Cl1 159.41(7) . . ?
C5 Co1 Cl1 124.75(7) . . ?
C1 Co1 Cl1 92.50(7) . . ?
C2 Co1 Cl1 94.46(7) . . ?
C3 Co1 Cl1 128.45(7) . . ?
C11 N1 Co1 113.46(15) . . ?
C11 N1 H2N 107.3(15) . . ?
Co1 N1 H2N 102.3(15) . . ?
C11 N1 H1N 111.0(16) . . ?
Co1 N1 H1N 110.7(16) . . ?
H2N N1 H1N 112(2) . . ?
C19 N2 C17 111.0(2) . . ?
C19 N2 C16 124.0(2) . . ?
C17 N2 C16 124.9(2) . . ?
C19 N3 C18 110.6(2) . . ?
C19 N3 C20 125.1(2) . . ?
C18 N3 C20 124.2(2) . . ?

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
C5 C1 C2 C3 -1.1(3) . . . . ?
C7 C1 C2 C3 176.1(2) . . . . ?
Co1 C1 C2 C3 -61.43(17) . . . . ?
C5 C1 C2 C8 -178.9(3) . . . . ?
C7 C1 C2 C8 -1.7(4) . . . . ?
Co1 C1 C2 C8 120.7(3) . . . . ?
C5 C1 C2 Co1 60.38(17) . . . . ?
C7 C1 C2 Co1 -122.4(3) . . . . ?
C1 C2 C3 C4 3.7(3) . . . . ?
C8 C2 C3 C4 -178.5(3) . . . . ?
Co1 C2 C3 C4 -56.52(16) . . . . ?
C1 C2 C3 C9 -175.2(2) . . . . ?
C8 C2 C3 C9 2.6(4) . . . . ?
Co1 C2 C3 C9 124.6(2) . . . . ?
C1 C2 C3 Co1 60.18(17) . . . . ?
C8 C2 C3 Co1 -122.0(3) . . . . ?
C2 C3 C4 C5 -4.8(3) . . . . ?
C9 C3 C4 C5 174.1(2) . . . . ?
Co1 C3 C4 C5 -62.52(16) . . . . ?
C2 C3 C4 C10 -174.9(2) . . . . ?
C9 C3 C4 C10 4.0(4) . . . . ?
Co1 C3 C4 C10 127.4(3) . . . . ?
C2 C3 C4 Co1 57.67(17) . . . . ?
C9 C3 C4 Co1 -123.4(2) . . . . ?
C2 C1 C5 C4 -2.0(3) . . . . ?
C7 C1 C5 C4 -179.1(2) . . . . ?
Co1 C1 C5 C4 58.50(16) . . . . ?
C2 C1 C5 C6 172.6(3) . . . . ?
C7 C1 C5 C6 -4.6(4) . . . . ?
Co1 C1 C5 C6 -127.0(3) . . . . ?
C2 C1 C5 Co1 -60.47(17) . . . . ?
C7 C1 C5 Co1 122.4(3) . . . . ?
C3 C4 C5 C1 4.2(3) . . . . ?
C10 C4 C5 C1 174.5(2) . . . . ?
Co1 C4 C5 C1 -59.39(17) . . . . ?
C3 C4 C5 C6 -170.6(2) . . . . ?
C10 C4 C5 C6 -0.3(4) . . . . ?
Co1 C4 C5 C6 125.9(3) . . . . ?
C3 C4 C5 Co1 63.58(16) . . . . ?
C10 C4 C5 Co1 -126.1(2) . . . . ?
C16 C11 C12 C13 -0.9(4) . . . . ?
N1 C11 C12 C13 177.9(2) . . . . ?
C11 C12 C13 C14 1.2(4) . . . . ?
C12 C13 C14 C15 -0.6(5) . . . . ?
C13 C14 C15 C16 -0.2(4) . . . . ?
C14 C15 C16 C11 0.4(4) . . . . ?
C14 C15 C16 N2 -178.5(2) . . . . ?
C12 C11 C16 C15 0.1(4) . . . . ?
N1 C11 C16 C15 -178.7(2) . . . . ?
C12 C11 C16 N2 179.1(2) . . . . ?
N1 C11 C16 N2 0.3(3) . . . . ?
N2 C17 C18 N3 -0.6(3) . . . . ?
C12 C11 N1 Co1 -128.3(2) . . . . ?
C16 C11 N1 Co1 50.6(3) . . . . ?
N3 C19 N2 C17 0.1(3) . . . . ?
Co1 C19 N2 C17 -177.23(17) . . . . ?
N3 C19 N2 C16 176.6(2) . . . . ?
Co1 C19 N2 C16 -0.8(3) . . . . ?
C18 C17 N2 C19 0.3(3) . . . . ?
C18 C17 N2 C16 -176.1(2) . . . . ?
C15 C16 N2 C19 149.9(2) . . . . ?
C11 C16 N2 C19 -29.0(3) . . . . ?
C15 C16 N2 C17 -34.1(4) . . . . ?
C11 C16 N2 C17 146.9(2) . . . . ?
N2 C19 N3 C18 -0.5(3) . . . . ?
Co1 C19 N3 C18 176.5(2) . . . . ?
N2 C19 N3 C20 -177.2(2) . . . . ?
Co1 C19 N3 C20 -0.3(4) . . . . ?
C17 C18 N3 C19 0.7(3) . . . . ?
C17 C18 N3 C20 177.5(2) . . . . ?
C21 C20 N3 C19 -135.2(3) . . . . ?
C21 C20 N3 C18 48.5(4) . . . . ?

_refine_diff_density_max         0.395
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.054



