# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_SGS_ACR1_187
_database_code_depnum_ccdc_archive 'CCDC 2211185'
loop_
_audit_author_name
_audit_author_address
'Krishna K. Damodaran'
;University of Iceland
Iceland
;
_audit_update_record             
;
2022-10-05 deposited with the CCDC.	2023-02-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H24 Cl Co N4 O4'
_chemical_formula_weight         478.81

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   8.3459(6)
_cell_length_b                   12.9372(9)
_cell_length_c                   19.0279(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2054.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9516
_cell_measurement_theta_max      37.65
_cell_measurement_theta_min      3.10

_exptl_crystal_description       block
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_F_000             992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.001
_shelx_estimated_absorpt_T_min   0.662
_shelx_estimated_absorpt_T_max   0.753
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74894
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.904
_diffrn_reflns_theta_max         33.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8384
_reflns_number_gt                7976
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.795
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_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       'SAINT (Bruker, 2015)'
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0481P)²+0.3644P] 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_abs_structure_details 
;
 Flack x determined using 3434 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.008(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         8384
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0770
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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 0.5927(2) 0.47917(15) 0.51499(9) 0.0304(3) Uani 1 1 d . . . . .
C2 C 0.6152(3) 0.37470(16) 0.54923(11) 0.0363(4) Uani 1 1 d . . . . .
H2B H 0.729960 0.361856 0.555602 0.044 Uiso 1 1 calc R U . . .
C3 C 0.5416(6) 0.2848(2) 0.50760(15) 0.0659(10) Uani 1 1 d . . . . .
H3A H 0.448889 0.307535 0.481044 0.079 Uiso 1 1 calc R U . . .
H3B H 0.619285 0.255089 0.475503 0.079 Uiso 1 1 calc R U . . .
C4 C 0.4939(4) 0.2074(2) 0.56391(15) 0.0515(6) Uani 1 1 d . . . . .
H4A H 0.412036 0.160352 0.547017 0.062 Uiso 1 1 calc R U . . .
H4B H 0.585527 0.167891 0.580091 0.062 Uiso 1 1 calc R U . . .
C5 C 0.4303(3) 0.27673(14) 0.62076(12) 0.0355(4) Uani 1 1 d . . . . .
H5A H 0.319484 0.294775 0.611590 0.043 Uiso 1 1 calc R U . . .
H5B H 0.436640 0.242753 0.666116 0.043 Uiso 1 1 calc R U . . .
C6 C 0.1601(3) 0.53877(15) 0.56113(11) 0.0326(4) Uani 1 1 d . . . . .
C7 C 0.1893(3) 0.64441(16) 0.59390(11) 0.0330(4) Uani 1 1 d . . . . .
H7 H 0.093263 0.666402 0.619480 0.040 Uiso 1 1 calc R U . . .
C8 C 0.2369(5) 0.7293(2) 0.53957(15) 0.0583(8) Uani 1 1 d . . . . .
H8A H 0.302487 0.700699 0.502240 0.070 Uiso 1 1 calc R U . . .
H8B H 0.142749 0.761397 0.519153 0.070 Uiso 1 1 calc R U . . .
C9 C 0.3303(4) 0.80526(19) 0.58328(16) 0.0499(6) Uani 1 1 d . . . . .
H9A H 0.395975 0.849743 0.554040 0.060 Uiso 1 1 calc R U . . .
H9B H 0.259776 0.847584 0.611791 0.060 Uiso 1 1 calc R U . . .
C10 C 0.4309(3) 0.73618(14) 0.62773(13) 0.0388(4) Uani 1 1 d . . . . .
H10A H 0.460807 0.770686 0.671046 0.047 Uiso 1 1 calc R U . . .
H10B H 0.527721 0.716407 0.602916 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7424(2) 0.58700(18) 0.68168(11) 0.0336(4) Uani 1 1 d . . . . .
H11 H 0.764467 0.599454 0.634523 0.040 Uiso 1 1 calc R U . . .
C12 C 0.8561(3) 0.6127(2) 0.73202(14) 0.0405(5) Uani 1 1 d . . . . .
H12 H 0.951141 0.644770 0.718752 0.049 Uiso 1 1 calc R U . . .
C13 C 0.8274(3) 0.59066(18) 0.80157(12) 0.0365(4) Uani 1 1 d . . . . .
H13 H 0.903761 0.605985 0.835616 0.044 Uiso 1 1 calc R U . . .
C14 C 0.6831(2) 0.54521(16) 0.82027(10) 0.0308(3) Uani 1 1 d . . . . .
H14 H 0.661932 0.528464 0.866888 0.037 Uiso 1 1 calc R U . . .
C15 C 0.5711(2) 0.52519(12) 0.76843(8) 0.0230(2) Uani 1 1 d . . . . .
C16 C 0.4112(2) 0.48211(12) 0.78142(8) 0.0238(3) Uani 1 1 d . . . . .
C17 C 0.3465(3) 0.46407(17) 0.84754(10) 0.0351(4) Uani 1 1 d . . . . .
H17 H 0.405450 0.478435 0.887837 0.042 Uiso 1 1 calc R U . . .
C18 C 0.1931(3) 0.4245(2) 0.85255(12) 0.0435(5) Uani 1 1 d . . . . .
H18 H 0.146405 0.413899 0.896332 0.052 Uiso 1 1 calc R U . . .
C19 C 0.1101(3) 0.40078(19) 0.79204(14) 0.0404(5) Uani 1 1 d . . . . .
H19 H 0.008447 0.371628 0.794557 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1799(2) 0.42087(15) 0.72752(11) 0.0310(3) Uani 1 1 d . . . . .
H20 H 0.123381 0.405386 0.686731 0.037 Uiso 1 1 calc R U . . .
Cl1 Cl 0.21176(7) 0.75336(6) 0.78339(3) 0.04912(15) Uani 1 1 d . . . . .
Co1 Co 0.43175(2) 0.50593(2) 0.63651(2) 0.01970(5) Uani 1 1 d . . . . .
N1 N 0.53384(18) 0.37127(11) 0.61967(8) 0.0248(3) Uani 1 1 d . . . . .
H1 H 0.611(4) 0.361(3) 0.6548(17) 0.042(8) Uiso 1 1 d . . . . .
N2 N 0.32925(18) 0.64269(11) 0.64295(8) 0.0238(2) Uani 1 1 d . . . . .
H2A H 0.289(4) 0.649(2) 0.6838(15) 0.035(7) Uiso 1 1 d . . . . .
N3 N 0.60170(17) 0.54462(12) 0.69952(7) 0.0229(2) Uani 1 1 d . . . . .
N4 N 0.32717(17) 0.46218(11) 0.72219(7) 0.0225(2) Uani 1 1 d . . . . .
O1 O 0.53810(18) 0.55174(10) 0.55523(7) 0.0294(3) Uani 1 1 d . . . . .
O2 O 0.6271(3) 0.49206(16) 0.45324(8) 0.0492(4) Uani 1 1 d . . . . .
O3 O 0.25815(17) 0.46647(11) 0.57930(7) 0.0302(3) Uani 1 1 d . . . . .
O4 O 0.0489(3) 0.52616(17) 0.52063(14) 0.0670(7) Uani 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 O2 1.221(2) . ?
C1 O1 1.294(2) . ?
C1 C2 1.512(3) . ?
C2 N1 1.503(3) . ?
C2 C3 1.535(4) . ?
C2 H2B 0.9800 . ?
C3 C4 1.519(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.502(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 N1 1.498(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 O4 1.217(3) . ?
C6 O3 1.290(2) . ?
C6 C7 1.522(3) . ?
C7 N2 1.495(3) . ?
C7 C8 1.559(3) . ?
C7 H7 0.9800 . ?
C8 C9 1.505(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.490(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.506(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 N3 1.340(2) . ?
C11 C12 1.389(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.375(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.387(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.383(2) . ?
C14 H14 0.9300 . ?
C15 N3 1.359(2) . ?
C15 C16 1.467(2) . ?
C16 N4 1.352(2) . ?
C16 C17 1.389(2) . ?
C17 C18 1.382(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.378(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(3) . ?
C19 H19 0.9300 . ?
C20 N4 1.344(2) . ?
C20 H20 0.9300 . ?
Co1 O1 1.8791(13) . ?
Co1 O3 1.8828(13) . ?
Co1 N3 1.9235(14) . ?
Co1 N4 1.9339(14) . ?
Co1 N1 1.9656(15) . ?
Co1 N2 1.9691(14) . ?
N1 H1 0.94(3) . ?
N2 H2A 0.85(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
O2 C1 O1 123.6(2) . . ?
O2 C1 C2 120.50(19) . . ?
O1 C1 C2 115.92(15) . . ?
N1 C2 C1 110.77(15) . . ?
N1 C2 C3 104.9(2) . . ?
C1 C2 C3 113.9(2) . . ?
N1 C2 H2B 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C4 C3 C2 103.9(2) . . ?
C4 C3 H3A 111.0 . . ?
C2 C3 H3A 111.0 . . ?
C4 C3 H3B 111.0 . . ?
C2 C3 H3B 111.0 . . ?
H3A C3 H3B 109.0 . . ?
C5 C4 C3 101.9(2) . . ?
C5 C4 H4A 111.4 . . ?
C3 C4 H4A 111.4 . . ?
C5 C4 H4B 111.4 . . ?
C3 C4 H4B 111.4 . . ?
H4A C4 H4B 109.2 . . ?
N1 C5 C4 105.9(2) . . ?
N1 C5 H5A 110.6 . . ?
C4 C5 H5A 110.6 . . ?
N1 C5 H5B 110.6 . . ?
C4 C5 H5B 110.6 . . ?
H5A C5 H5B 108.7 . . ?
O4 C6 O3 123.8(2) . . ?
O4 C6 C7 120.12(19) . . ?
O3 C6 C7 116.10(16) . . ?
N2 C7 C6 111.55(14) . . ?
N2 C7 C8 103.03(19) . . ?
C6 C7 C8 113.67(19) . . ?
N2 C7 H7 109.5 . . ?
C6 C7 H7 109.5 . . ?
C8 C7 H7 109.5 . . ?
C9 C8 C7 103.0(2) . . ?
C9 C8 H8A 111.2 . . ?
C7 C8 H8A 111.2 . . ?
C9 C8 H8B 111.2 . . ?
C7 C8 H8B 111.2 . . ?
H8A C8 H8B 109.1 . . ?
C10 C9 C8 102.3(2) . . ?
C10 C9 H9A 111.3 . . ?
C8 C9 H9A 111.3 . . ?
C10 C9 H9B 111.3 . . ?
C8 C9 H9B 111.3 . . ?
H9A C9 H9B 109.2 . . ?
C9 C10 N2 105.9(2) . . ?
C9 C10 H10A 110.6 . . ?
N2 C10 H10A 110.6 . . ?
C9 C10 H10B 110.6 . . ?
N2 C10 H10B 110.6 . . ?
H10A C10 H10B 108.7 . . ?
N3 C11 C12 121.47(19) . . ?
N3 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C13 C12 C11 119.7(2) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C12 C13 C14 119.09(17) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 118.91(18) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N3 C15 C14 121.73(17) . . ?
N3 C15 C16 113.83(14) . . ?
C14 C15 C16 124.45(15) . . ?
N4 C16 C17 121.41(17) . . ?
N4 C16 C15 113.81(13) . . ?
C17 C16 C15 124.77(16) . . ?
C18 C17 C16 119.0(2) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C19 C18 C17 119.36(19) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 119.2(2) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 H19 120.4 . . ?
N4 C20 C19 121.8(2) . . ?
N4 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
O1 Co1 O3 88.46(6) . . ?
O1 Co1 N3 94.74(6) . . ?
O3 Co1 N3 176.77(7) . . ?
O1 Co1 N4 177.89(7) . . ?
O3 Co1 N4 93.48(6) . . ?
N3 Co1 N4 83.31(6) . . ?
O1 Co1 N1 86.59(6) . . ?
O3 Co1 N1 89.94(6) . . ?
N3 Co1 N1 90.72(6) . . ?
N4 Co1 N1 94.22(6) . . ?
O1 Co1 N2 88.45(6) . . ?
O3 Co1 N2 86.86(6) . . ?
N3 Co1 N2 92.74(6) . . ?
N4 Co1 N2 90.83(6) . . ?
N1 Co1 N2 174.18(6) . . ?
C5 N1 C2 107.27(16) . . ?
C5 N1 Co1 118.14(13) . . ?
C2 N1 Co1 108.36(11) . . ?
C5 N1 H1 106(2) . . ?
C2 N1 H1 109(2) . . ?
Co1 N1 H1 108(2) . . ?
C7 N2 C10 107.95(16) . . ?
C7 N2 Co1 108.30(11) . . ?
C10 N2 Co1 117.71(12) . . ?
C7 N2 H2A 105(2) . . ?
C10 N2 H2A 109(2) . . ?
Co1 N2 H2A 108(2) . . ?
C11 N3 C15 119.01(15) . . ?
C11 N3 Co1 126.51(13) . . ?
C15 N3 Co1 114.48(11) . . ?
C20 N4 C16 119.16(15) . . ?
C20 N4 Co1 126.34(13) . . ?
C16 N4 Co1 114.38(11) . . ?
C1 O1 Co1 115.11(12) . . ?
C6 O3 Co1 116.52(12) . . ?

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
O2 C1 C2 N1 -168.1(2) . . . . ?
O1 C1 C2 N1 12.8(3) . . . . ?
O2 C1 C2 C3 -50.1(3) . . . . ?
O1 C1 C2 C3 130.8(2) . . . . ?
N1 C2 C3 C4 -28.0(3) . . . . ?
C1 C2 C3 C4 -149.3(2) . . . . ?
C2 C3 C4 C5 39.5(4) . . . . ?
C3 C4 C5 N1 -36.6(3) . . . . ?
O4 C6 C7 N2 178.9(2) . . . . ?
O3 C6 C7 N2 -0.8(3) . . . . ?
O4 C6 C7 C8 -65.2(3) . . . . ?
O3 C6 C7 C8 115.2(2) . . . . ?
N2 C7 C8 C9 -33.6(3) . . . . ?
C6 C7 C8 C9 -154.5(2) . . . . ?
C7 C8 C9 C10 42.3(3) . . . . ?
C8 C9 C10 N2 -35.1(3) . . . . ?
N3 C11 C12 C13 2.7(4) . . . . ?
C11 C12 C13 C14 -1.6(4) . . . . ?
C12 C13 C14 C15 -1.2(3) . . . . ?
C13 C14 C15 N3 3.0(3) . . . . ?
C13 C14 C15 C16 -176.96(17) . . . . ?
N3 C15 C16 N4 4.7(2) . . . . ?
C14 C15 C16 N4 -175.40(16) . . . . ?
N3 C15 C16 C17 -174.20(17) . . . . ?
C14 C15 C16 C17 5.8(3) . . . . ?
N4 C16 C17 C18 0.3(3) . . . . ?
C15 C16 C17 C18 179.07(18) . . . . ?
C16 C17 C18 C19 2.0(3) . . . . ?
C17 C18 C19 C20 -2.4(4) . . . . ?
C18 C19 C20 N4 0.5(3) . . . . ?
C4 C5 N1 C2 19.5(2) . . . . ?
C4 C5 N1 Co1 142.25(17) . . . . ?
C1 C2 N1 C5 128.78(19) . . . . ?
C3 C2 N1 C5 5.4(3) . . . . ?
C1 C2 N1 Co1 0.2(2) . . . . ?
C3 C2 N1 Co1 -123.1(2) . . . . ?
C6 C7 N2 C10 134.45(18) . . . . ?
C8 C7 N2 C10 12.2(2) . . . . ?
C6 C7 N2 Co1 6.0(2) . . . . ?
C8 C7 N2 Co1 -116.31(17) . . . . ?
C9 C10 N2 C7 14.0(2) . . . . ?
C9 C10 N2 Co1 136.87(17) . . . . ?
C12 C11 N3 C15 -1.0(3) . . . . ?
C12 C11 N3 Co1 179.38(18) . . . . ?
C14 C15 N3 C11 -1.9(3) . . . . ?
C16 C15 N3 C11 178.02(17) . . . . ?
C14 C15 N3 Co1 177.77(13) . . . . ?
C16 C15 N3 Co1 -2.28(18) . . . . ?
C19 C20 N4 C16 1.8(3) . . . . ?
C19 C20 N4 Co1 -174.00(16) . . . . ?
C17 C16 N4 C20 -2.2(3) . . . . ?
C15 C16 N4 C20 178.90(15) . . . . ?
C17 C16 N4 Co1 174.07(14) . . . . ?
C15 C16 N4 Co1 -4.83(17) . . . . ?
O2 C1 O1 Co1 160.56(18) . . . . ?
C2 C1 O1 Co1 -20.4(2) . . . . ?
O3 Co1 O1 C1 -73.54(15) . . . . ?
N3 Co1 O1 C1 106.94(15) . . . . ?
N1 Co1 O1 C1 16.50(14) . . . . ?
N2 Co1 O1 C1 -160.44(15) . . . . ?
O4 C6 O3 Co1 174.9(2) . . . . ?
C7 C6 O3 Co1 -5.4(2) . . . . ?
O1 Co1 O3 C6 -81.15(16) . . . . ?
N4 Co1 O3 C6 98.03(16) . . . . ?
N1 Co1 O3 C6 -167.74(16) . . . . ?
N2 Co1 O3 C6 7.39(15) . . . . ?

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
_geom_hbond_publ_flag
N1 H1 Cl1 0.94(3) 2.35(3) 3.1996(16) 151(3) 3_646 yes
N2 H2A Cl1 0.85(3) 2.41(3) 3.1864(16) 151(3) . yes

_refine_diff_density_max         0.775
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.061



