# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 1919171'
loop_
_audit_author_name
_audit_author_address
a
;The Cambridge Crystallographic Data Center
China
;
_audit_update_record             
;
2019-05-28 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H68 Cl4 Co2 N24 O26'
_chemical_formula_weight         1873.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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 0.3294 0.5404 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -0.6671 2.8827 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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                   13.483(3)
_cell_length_b                   14.312(3)
_cell_length_c                   20.482(4)
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 101.02(3)
_cell_angle_gamma                90.00(3)
_cell_volume                     3879.5(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9893
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      54.01

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_F_000             1924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    3.680
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\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            65724
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_av_R_equivalents  0.0917
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.158
_diffrn_reflns_theta_max         53.982
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7070
_reflns_number_gt                5668
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_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)+(0.0508P)²+6.8311P] 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         7070
_refine_ls_number_parameters     563
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1249
_refine_ls_wR_factor_gt          0.1106
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.048
_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
Co1 Co 0.59762(3) 0.15318(3) 0.32470(2) 0.01812(12) Uani 1 1 d . . . . .
Cl2 Cl 0.15669(7) 0.34577(6) 0.51440(4) 0.0357(2) Uani 1 1 d . . . . .
Cl1 Cl 0.45486(7) 0.46681(6) 0.81145(5) 0.0402(2) Uani 1 1 d . . . . .
O2 O 0.51937(16) 0.23139(15) 0.24279(10) 0.0266(5) Uani 1 1 d D . . . .
H2A H 0.554200 0.259821 0.218768 0.057(14) Uiso 1 1 d DR . . . .
H2B H 0.465180 0.261421 0.242828 0.067(15) Uiso 1 1 d DR . . . .
O1 O 0.73219(16) 0.19275(16) 0.28928(12) 0.0294(5) Uani 1 1 d D . . . .
H1A H 0.725779 0.224736 0.253642 0.043(12) Uiso 1 1 d DR . . . .
H1B H 0.778009 0.151966 0.288292 0.09(2) Uiso 1 1 d DR . . . .
N8 N 0.40867(18) -0.02977(17) 0.73424(12) 0.0207(5) Uani 1 1 d . . . . .
N10 N 0.51001(18) 0.19439(17) 0.45472(12) 0.0192(5) Uani 1 1 d . . . . .
N11 N 0.60538(18) 0.27345(17) 0.38589(12) 0.0212(5) Uani 1 1 d . . . . .
N2 N 0.45900(18) 0.11254(17) 0.54146(12) 0.0205(5) Uani 1 1 d . . . . .
N9 N 0.30431(18) -0.07640(17) 0.59885(12) 0.0204(5) Uani 1 1 d . . . . .
N12 N 0.45415(18) 0.12549(17) 0.34998(12) 0.0197(5) Uani 1 1 d . . . . .
N1 N 0.55921(18) 0.12819(18) 0.65060(12) 0.0209(5) Uani 1 1 d . . . . .
N3 N 0.61119(18) 0.20136(18) 0.55837(12) 0.0216(5) Uani 1 1 d . . . . .
N7 N 0.40667(18) 0.05277(17) 0.63496(12) 0.0196(5) Uani 1 1 d . . . . .
N4 N 0.71069(18) 0.21041(18) 0.66285(12) 0.0218(5) Uani 1 1 d . . . . .
N6 N 0.83797(19) 0.16795(18) 0.75140(12) 0.0230(6) Uani 1 1 d . . . . .
O11 O 0.1616(2) 0.1973(2) 0.67841(14) 0.0504(7) Uani 1 1 d G . . . .
H11A H 0.165935 0.219708 0.639567 0.076 Uiso 1 1 d G U . . .
H11B H 0.159833 0.137054 0.672845 0.076 Uiso 1 1 d G U . . .
N5 N 0.7619(2) 0.35422(19) 0.62701(15) 0.0303(6) Uani 1 1 d . . . . .
C24 C 0.5595(2) 0.2779(2) 0.43815(14) 0.0199(6) Uani 1 1 d . . . . .
C29 C 0.4290(2) 0.1562(2) 0.40661(14) 0.0201(6) Uani 1 1 d . . . . .
O13 O 0.5594(2) 0.4074(3) 0.64183(16) 0.0608(9) Uani 1 1 d G . . . .
H13A H 0.556427 0.428118 0.681342 0.091 Uiso 1 1 d G U . . .
H13B H 0.620553 0.388561 0.641162 0.091 Uiso 1 1 d G U . . .
C19 C 0.3171(2) 0.0160(2) 0.59402(14) 0.0185(6) Uani 1 1 d . . . . .
C1 C 0.6231(2) 0.1784(2) 0.62286(14) 0.0201(6) Uani 1 1 d . . . . .
C4 C 0.7791(2) 0.2630(2) 0.63100(14) 0.0211(6) Uani 1 1 d . . . . .
O10 O 0.2557(2) 0.3628(3) 0.50227(16) 0.0672(10) Uani 1 1 d . . . . .
C20 C 0.2481(2) 0.0742(2) 0.55546(15) 0.0223(6) Uani 1 1 d . . . . .
H20 H 0.259825 0.139631 0.554401 0.027 Uiso 1 1 calc R U . . .
C14 C 0.4107(2) 0.0540(2) 0.70549(14) 0.0198(6) Uani 1 1 d . . . . .
C3 C 0.5268(2) 0.1675(2) 0.52132(14) 0.0190(6) Uani 1 1 d . . . . .
C9 C 0.7400(2) 0.1856(2) 0.73099(15) 0.0218(6) Uani 1 1 d . . . . .
C2 C 0.4784(2) 0.1001(2) 0.60772(14) 0.0191(6) Uani 1 1 d . . . . .
C33 C 0.3797(2) 0.0889(2) 0.30343(16) 0.0254(7) Uani 1 1 d . . . . .
H33 H 0.396108 0.068162 0.262717 0.031 Uiso 1 1 calc R U . . .
C23 C 0.2185(2) -0.1130(2) 0.56276(16) 0.0251(7) Uani 1 1 d . . . . .
H23 H 0.207062 -0.178231 0.565531 0.030 Uiso 1 1 calc R U . . .
C25 C 0.5556(2) 0.3585(2) 0.47477(16) 0.0262(7) Uani 1 1 d . . . . .
H25 H 0.521104 0.359414 0.511119 0.031 Uiso 1 1 calc R U . . .
C18 C 0.4085(3) -0.0319(2) 0.79996(15) 0.0272(7) Uani 1 1 d . . . . .
H18 H 0.405055 -0.090944 0.820674 0.033 Uiso 1 1 calc R U . . .
C30 C 0.3308(2) 0.1547(3) 0.41717(16) 0.0302(8) Uani 1 1 d . . . . .
H30 H 0.314715 0.180584 0.456553 0.036 Uiso 1 1 calc R U . . .
C5 C 0.8539(2) 0.2187(2) 0.60543(16) 0.0267(7) Uani 1 1 d . . . . .
H5 H 0.864168 0.153182 0.610423 0.032 Uiso 1 1 calc R U . . .
C16 C 0.4150(3) 0.1336(2) 0.80789(17) 0.0297(7) Uani 1 1 d . . . . .
H16 H 0.418304 0.189468 0.833266 0.036 Uiso 1 1 calc R U . . .
C15 C 0.4120(2) 0.1372(2) 0.73975(16) 0.0263(7) Uani 1 1 d . . . . .
H15 H 0.410886 0.195455 0.717323 0.032 Uiso 1 1 calc R U . . .
C22 C 0.1471(2) -0.0597(2) 0.52228(16) 0.0274(7) Uani 1 1 d . . . . .
H22 H 0.088389 -0.088199 0.497139 0.033 Uiso 1 1 calc R U . . .
O5 O 0.3522(2) 0.4937(3) 0.8003(2) 0.0859(12) Uani 1 1 d . . . . .
C32 C 0.2815(2) 0.0800(2) 0.31197(17) 0.0313(8) Uani 1 1 d . . . . .
H32 H 0.231991 0.050688 0.279090 0.038 Uiso 1 1 calc R U . . .
C28 C 0.6498(2) 0.3525(2) 0.36881(17) 0.0267(7) Uani 1 1 d . . . . .
H28 H 0.681487 0.350723 0.331220 0.032 Uiso 1 1 calc R U . . .
C6 C 0.9137(3) 0.2724(3) 0.57229(17) 0.0324(8) Uani 1 1 d . . . . .
H6 H 0.966101 0.244317 0.554017 0.039 Uiso 1 1 calc R U . . .
O9 O 0.1227(3) 0.2597(2) 0.4861(2) 0.0890(13) Uani 1 1 d . . . . .
C21 C 0.1615(2) 0.0355(2) 0.51845(16) 0.0269(7) Uani 1 1 d . . . . .
H21 H 0.112901 0.073530 0.490922 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8676(3) 0.1349(2) 0.81366(16) 0.0288(7) Uani 1 1 d . . . . .
H13 H 0.936978 0.120282 0.828430 0.035 Uiso 1 1 calc R U . . .
C10 C 0.6704(3) 0.1814(3) 0.77304(16) 0.0316(8) Uani 1 1 d . . . . .
H10 H 0.602569 0.201253 0.758447 0.038 Uiso 1 1 calc R U . . .
C11 C 0.7030(3) 0.1475(3) 0.83670(17) 0.0394(9) Uani 1 1 d . . . . .
H11 H 0.657222 0.142282 0.866460 0.047 Uiso 1 1 calc R U . . .
C27 C 0.6510(3) 0.4348(2) 0.40321(18) 0.0334(8) Uani 1 1 d . . . . .
H27 H 0.683982 0.488496 0.390334 0.040 Uiso 1 1 calc R U . . .
O6 O 0.5015(3) 0.4961(3) 0.75902(19) 0.0926(14) Uani 1 1 d . . . . .
C17 C 0.4131(3) 0.0470(2) 0.83841(16) 0.0312(8) Uani 1 1 d . . . . .
H17 H 0.414929 0.042637 0.884911 0.037 Uiso 1 1 calc R U . . .
C7 C 0.8962(3) 0.3671(3) 0.56608(18) 0.0354(8) Uani 1 1 d . . . . .
H7 H 0.935404 0.405367 0.542798 0.043 Uiso 1 1 calc R U . . .
C31 C 0.2566(2) 0.1148(3) 0.36962(17) 0.0359(8) Uani 1 1 d . . . . .
H31 H 0.188979 0.111425 0.376463 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6029(3) 0.4378(2) 0.45720(17) 0.0329(8) Uani 1 1 d . . . . .
H26 H 0.602542 0.493842 0.481986 0.040 Uiso 1 1 calc R U . . .
O4 O 0.5063(3) 0.5083(3) 0.87068(17) 0.0894(13) Uani 1 1 d . . . . .
O7 O 0.1594(3) 0.3397(4) 0.58380(17) 0.0951(14) Uani 1 1 d . . . . .
C12 C 0.8029(3) 0.1212(3) 0.85668(17) 0.0368(8) Uani 1 1 d . . . . .
H12 H 0.826007 0.094298 0.899270 0.044 Uiso 1 1 calc R U . . .
C8 C 0.8210(3) 0.4047(3) 0.59431(19) 0.0381(9) Uani 1 1 d . . . . .
H8 H 0.809945 0.470243 0.590588 0.046 Uiso 1 1 calc R U . . .
O12 O 0.3960(3) 0.2901(3) 0.6190(3) 0.0919(13) Uani 1 1 d G . . . .
H12A H 0.445613 0.329245 0.630446 0.138 Uiso 1 1 d G U . . .
H12B H 0.353910 0.311998 0.584920 0.138 Uiso 1 1 d G U . . .
O8 O 0.0908(3) 0.4154(3) 0.4851(3) 0.1063(17) Uani 1 1 d . . . . .
O3 O 0.4544(5) 0.3699(3) 0.8176(3) 0.135(2) 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
Co1 N11 2.120(3) . ?
Co1 O2 2.122(2) . ?
Co1 N8 2.132(3) 3_656 ?
Co1 N12 2.133(2) . ?
Co1 N9 2.148(3) 3_656 ?
Co1 O1 2.155(2) . ?
Cl2 O8 1.393(4) . ?
Cl2 O9 1.401(4) . ?
Cl2 O7 1.418(3) . ?
Cl2 O10 1.425(3) . ?
Cl1 O3 1.393(4) . ?
Cl1 O6 1.408(3) . ?
Cl1 O4 1.408(3) . ?
Cl1 O5 1.413(4) . ?
O2 H2A 0.8465 . ?
O2 H2B 0.8478 . ?
O1 H1A 0.8520 . ?
O1 H1B 0.8529 . ?
N8 C14 1.338(4) . ?
N8 C18 1.347(4) . ?
N10 C3 1.393(4) . ?
N10 C29 1.432(4) . ?
N10 C24 1.441(4) . ?
N11 C24 1.336(4) . ?
N11 C28 1.356(4) . ?
N2 C3 1.331(4) . ?
N2 C2 1.344(4) . ?
N9 C19 1.340(4) . ?
N9 C23 1.354(4) . ?
N12 C29 1.343(4) . ?
N12 C33 1.351(4) . ?
N1 C2 1.324(4) . ?
N1 C1 1.329(4) . ?
N3 C3 1.332(4) . ?
N3 C1 1.341(4) . ?
N7 C2 1.383(4) . ?
N7 C19 1.432(4) . ?
N7 C14 1.435(4) . ?
N4 C1 1.381(4) . ?
N4 C9 1.421(4) . ?
N4 C4 1.440(4) . ?
N6 C9 1.331(4) . ?
N6 C13 1.347(4) . ?
O11 H11A 0.8701 . ?
O11 H11B 0.8695 . ?
N5 C4 1.326(4) . ?
N5 C8 1.346(4) . ?
C24 C25 1.383(4) . ?
C29 C30 1.381(4) . ?
O13 H13A 0.8701 . ?
O13 H13B 0.8695 . ?
C19 C20 1.380(4) . ?
C4 C5 1.377(4) . ?
C20 C21 1.380(4) . ?
C20 H20 0.9500 . ?
C14 C15 1.382(4) . ?
C9 C10 1.391(4) . ?
C33 C32 1.375(5) . ?
C33 H33 0.9500 . ?
C23 C22 1.374(5) . ?
C23 H23 0.9500 . ?
C25 C26 1.383(5) . ?
C25 H25 0.9500 . ?
C18 C17 1.372(5) . ?
C18 H18 0.9500 . ?
C30 C31 1.379(5) . ?
C30 H30 0.9500 . ?
C5 C6 1.382(5) . ?
C5 H5 0.9500 . ?
C16 C15 1.390(5) . ?
C16 C17 1.390(5) . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?
C22 C21 1.381(5) . ?
C22 H22 0.9500 . ?
C32 C31 1.381(5) . ?
C32 H32 0.9500 . ?
C28 C27 1.371(5) . ?
C28 H28 0.9500 . ?
C6 C7 1.378(5) . ?
C6 H6 0.9500 . ?
C21 H21 0.9500 . ?
C13 C12 1.367(5) . ?
C13 H13 0.9500 . ?
C10 C11 1.382(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(5) . ?
C11 H11 0.9500 . ?
C27 C26 1.385(5) . ?
C27 H27 0.9500 . ?
C17 H17 0.9500 . ?
C7 C8 1.371(5) . ?
C7 H7 0.9500 . ?
C31 H31 0.9500 . ?
C26 H26 0.9500 . ?
C12 H12 0.9500 . ?
C8 H8 0.9500 . ?
O12 H12A 0.8698 . ?
O12 H12B 0.8701 . ?

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
N11 Co1 O2 90.00(9) . . ?
N11 Co1 N8 178.29(10) . 3_656 ?
O2 Co1 N8 91.68(9) . 3_656 ?
N11 Co1 N12 87.24(10) . . ?
O2 Co1 N12 87.31(9) . . ?
N8 Co1 N12 92.51(10) 3_656 . ?
N11 Co1 N9 91.75(10) . 3_656 ?
O2 Co1 N9 171.72(9) . 3_656 ?
N8 Co1 N9 86.63(10) 3_656 3_656 ?
N12 Co1 N9 100.86(9) . 3_656 ?
N11 Co1 O1 92.07(9) . . ?
O2 Co1 O1 85.33(9) . . ?
N8 Co1 O1 88.39(9) 3_656 . ?
N12 Co1 O1 172.61(9) . . ?
N9 Co1 O1 86.52(9) 3_656 . ?
O8 Cl2 O9 108.6(3) . . ?
O8 Cl2 O7 111.6(3) . . ?
O9 Cl2 O7 107.7(3) . . ?
O8 Cl2 O10 110.1(2) . . ?
O9 Cl2 O10 108.7(2) . . ?
O7 Cl2 O10 109.9(2) . . ?
O3 Cl1 O6 112.1(3) . . ?
O3 Cl1 O4 110.6(3) . . ?
O6 Cl1 O4 108.3(2) . . ?
O3 Cl1 O5 105.3(3) . . ?
O6 Cl1 O5 111.2(3) . . ?
O4 Cl1 O5 109.3(3) . . ?
Co1 O2 H2A 117.8 . . ?
Co1 O2 H2B 124.4 . . ?
H2A O2 H2B 109.3 . . ?
Co1 O1 H1A 118.4 . . ?
Co1 O1 H1B 119.2 . . ?
H1A O1 H1B 107.6 . . ?
C14 N8 C18 117.7(3) . . ?
C14 N8 Co1 119.65(19) . 3_656 ?
C18 N8 Co1 122.6(2) . 3_656 ?
C3 N10 C29 121.9(2) . . ?
C3 N10 C24 117.6(2) . . ?
C29 N10 C24 118.8(2) . . ?
C24 N11 C28 117.5(3) . . ?
C24 N11 Co1 122.3(2) . . ?
C28 N11 Co1 119.9(2) . . ?
C3 N2 C2 112.3(3) . . ?
C19 N9 C23 116.8(3) . . ?
C19 N9 Co1 119.24(19) . 3_656 ?
C23 N9 Co1 122.9(2) . 3_656 ?
C29 N12 C33 117.4(3) . . ?
C29 N12 Co1 122.64(19) . . ?
C33 N12 Co1 119.1(2) . . ?
C2 N1 C1 113.5(3) . . ?
C3 N3 C1 113.6(2) . . ?
C2 N7 C19 121.3(2) . . ?
C2 N7 C14 120.4(2) . . ?
C19 N7 C14 117.3(2) . . ?
C1 N4 C9 123.0(2) . . ?
C1 N4 C4 117.0(2) . . ?
C9 N4 C4 119.6(2) . . ?
C9 N6 C13 117.4(3) . . ?
H11A O11 H11B 104.5 . . ?
C4 N5 C8 116.5(3) . . ?
N11 C24 C25 123.1(3) . . ?
N11 C24 N10 117.1(3) . . ?
C25 C24 N10 119.8(3) . . ?
N12 C29 C30 122.5(3) . . ?
N12 C29 N10 115.7(3) . . ?
C30 C29 N10 121.7(3) . . ?
H13A O13 H13B 109.5 . . ?
N9 C19 C20 123.8(3) . . ?
N9 C19 N7 115.2(3) . . ?
C20 C19 N7 121.0(3) . . ?
N1 C1 N3 126.1(3) . . ?
N1 C1 N4 118.5(3) . . ?
N3 C1 N4 115.5(3) . . ?
N5 C4 C5 124.3(3) . . ?
N5 C4 N4 115.0(3) . . ?
C5 C4 N4 120.7(3) . . ?
C19 C20 C21 118.6(3) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
N8 C14 C15 123.3(3) . . ?
N8 C14 N7 115.6(3) . . ?
C15 C14 N7 121.0(3) . . ?
N2 C3 N3 126.9(3) . . ?
N2 C3 N10 118.3(3) . . ?
N3 C3 N10 114.8(3) . . ?
N6 C9 C10 122.9(3) . . ?
N6 C9 N4 115.4(3) . . ?
C10 C9 N4 121.7(3) . . ?
N1 C2 N2 127.3(3) . . ?
N1 C2 N7 115.5(3) . . ?
N2 C2 N7 117.1(3) . . ?
N12 C33 C32 123.4(3) . . ?
N12 C33 H33 118.3 . . ?
C32 C33 H33 118.3 . . ?
N9 C23 C22 122.8(3) . . ?
N9 C23 H23 118.6 . . ?
C22 C23 H23 118.6 . . ?
C24 C25 C26 118.4(3) . . ?
C24 C25 H25 120.8 . . ?
C26 C25 H25 120.8 . . ?
N8 C18 C17 123.1(3) . . ?
N8 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
C31 C30 C29 118.9(3) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C4 C5 C6 117.9(3) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
C15 C16 C17 119.1(3) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C14 C15 C16 118.2(3) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C23 C22 C21 119.5(3) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C33 C32 C31 118.2(3) . . ?
C33 C32 H32 120.9 . . ?
C31 C32 H32 120.9 . . ?
N11 C28 C27 123.1(3) . . ?
N11 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
C7 C6 C5 119.2(3) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C20 C21 C22 118.6(3) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
N6 C13 C12 123.4(3) . . ?
N6 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
C11 C10 C9 118.0(3) . . ?
C11 C10 H10 121.0 . . ?
C9 C10 H10 121.0 . . ?
C10 C11 C12 119.4(3) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C28 C27 C26 118.4(3) . . ?
C28 C27 H27 120.8 . . ?
C26 C27 H27 120.8 . . ?
C18 C17 C16 118.6(3) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C8 C7 C6 118.3(3) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C30 C31 C32 119.4(3) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C25 C26 C27 119.5(3) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C13 C12 C11 118.4(3) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
N5 C8 C7 123.7(3) . . ?
N5 C8 H8 118.1 . . ?
C7 C8 H8 118.1 . . ?
H12A O12 H12B 109.5 . . ?

_refine_diff_density_max         0.722
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.079

