# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1559997'
_audit_update_record             
;
2017-07-03 deposited with the CCDC.
2019-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H25 Co N3 O10'
_chemical_formula_weight         730.53

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P21/c '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.545(3)
_cell_length_b                   15.163(4)
_cell_length_c                   18.579(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.029(14)
_cell_angle_gamma                90.00
_cell_volume                     3202.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3922
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      25.84

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1500
_exptl_absorpt_coefficient_mu    0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8210
_exptl_absorpt_correction_T_max  0.8302
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22900
_diffrn_reflns_av_R_equivalents  0.0822
_diffrn_reflns_av_sigmaI/netI    0.0910
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         28.38
_reflns_number_total             7997
_reflns_number_gt                4894
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0660P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7997
_refine_ls_number_parameters     462
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0574
_refine_ls_wR_factor_ref         0.1521
_refine_ls_wR_factor_gt          0.1395
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.90144(3) 0.05197(3) 0.43509(2) 0.02372(13) Uani 1 1 d . . .
O4 O 0.3403(3) 0.0576(3) 0.0856(2) 0.0959(13) Uani 1 1 d U . .
H4 H 0.2705 0.0448 0.0691 0.144 Uiso 1 1 calc R . .
O5 O 0.2697(3) 0.1872(3) 0.0302(3) 0.1126(15) Uani 1 1 d U . .
O6 O 1.6269(2) 0.3371(2) 0.43823(19) 0.0729(9) Uani 1 1 d . . .
O7 O 1.6094(2) 0.3162(2) 0.31524(18) 0.0682(9) Uani 1 1 d . . .
H7 H 1.6783 0.3007 0.3381 0.102 Uiso 1 1 calc R . .
O2 O 0.8320(2) 0.26005(17) 0.37545(16) 0.0514(7) Uani 1 1 d U . .
O1 O 0.9204(2) 0.14004(15) 0.36167(13) 0.0384(6) Uani 1 1 d . . .
O9 O 0.92487(18) 0.38521(14) 0.03785(12) 0.0328(5) Uani 1 1 d . . .
O8 O 1.07889(17) 0.45252(13) 0.13339(11) 0.0282(5) Uani 1 1 d . . .
O3 O 0.89661(19) -0.06377(14) 0.50701(12) 0.0336(5) Uani 1 1 d . . .
N1 N 0.7180(2) 0.05698(16) 0.39257(14) 0.0264(5) Uani 1 1 d . . .
N2 N 0.2019(2) 0.06565(19) 0.38608(16) 0.0389(7) Uani 1 1 d . . .
N3 N -0.1433(3) 0.0018(3) 0.0253(2) 0.0619(10) Uani 1 1 d . . .
C1 C 1.0627(2) 0.32225(19) 0.24594(17) 0.0253(6) Uani 1 1 d . . .
C27 C 0.4776(3) 0.0532(2) 0.35562(18) 0.0292(7) Uani 1 1 d . . .
C28 C 0.3509(3) 0.0515(2) 0.33770(19) 0.0308(7) Uani 1 1 d . . .
C22 C 0.8828(2) 0.2169(2) 0.34360(17) 0.0262(7) Uani 1 1 d . . .
C2 C 1.1914(3) 0.3335(2) 0.27262(18) 0.0280(7) Uani 1 1 d . . .
C3 C 1.0265(2) 0.2807(2) 0.29923(17) 0.0267(7) Uani 1 1 d . . .
H3 H 1.0828 0.2675 0.3500 0.032 Uiso 1 1 calc R . .
C4 C 0.9105(2) 0.25848(19) 0.27958(17) 0.0238(6) Uani 1 1 d . . .
C31 C 0.1468(3) 0.0433(2) 0.24724(19) 0.0316(7) Uani 1 1 d . . .
C32 C 0.2637(3) 0.0394(2) 0.26089(19) 0.0330(7) Uani 1 1 d . . .
H32 H 0.2842 0.0287 0.2191 0.040 Uiso 1 1 calc R . .
C19 C 0.9968(3) 0.3969(2) 0.10954(17) 0.0265(6) Uani 1 1 d . . .
C5 C 0.8247(2) 0.27518(19) 0.20289(18) 0.0265(6) Uani 1 1 d . . .
C6 C 0.8599(3) 0.3185(2) 0.15074(17) 0.0278(7) Uani 1 1 d . . .
H6 H 0.8033 0.3313 0.1000 0.033 Uiso 1 1 calc R . .
C7 C 0.9754(3) 0.3438(2) 0.17044(17) 0.0254(6) Uani 1 1 d . . .
C8 C 0.7023(3) 0.2427(2) 0.17407(18) 0.0302(7) Uani 1 1 d . . .
C30 C 0.1211(3) 0.0572(2) 0.3119(2) 0.0353(8) Uani 1 1 d . . .
H30 H 0.0424 0.0608 0.3027 0.042 Uiso 1 1 calc R . .
C34 C -0.0476(3) 0.0854(3) 0.1412(2) 0.0547(10) Uani 1 1 d . . .
H34 H -0.0494 0.1336 0.1716 0.066 Uiso 1 1 calc R . .
C29 C 0.3140(3) 0.0633(2) 0.39720(19) 0.0368(8) Uani 1 1 d . . .
H29 H 0.3715 0.0701 0.4488 0.044 Uiso 1 1 calc R . .
C36 C -0.0504(4) -0.0511(3) 0.0493(2) 0.0588(12) Uani 1 1 d . . .
H36 H -0.0522 -0.0987 0.0173 0.071 Uiso 1 1 calc R . .
C9 C 1.2482(3) 0.2952(2) 0.23044(19) 0.0346(8) Uani 1 1 d . . .
H9 H 1.2040 0.2685 0.1818 0.041 Uiso 1 1 calc R . .
C35 C -0.1404(4) 0.0687(4) 0.0703(3) 0.0673(13) Uani 1 1 d . . .
H35 H -0.2045 0.1068 0.0531 0.081 Uiso 1 1 calc R . .
C25 C 0.5507(3) 0.1160(2) 0.40589(18) 0.0313(7) Uani 1 1 d . . .
H25 H 0.5205 0.1579 0.4289 0.038 Uiso 1 1 calc R . .
C33 C 0.0500(3) 0.0298(2) 0.16785(19) 0.0361(8) Uani 1 1 d . . .
C10 C 1.4370(3) 0.3355(2) 0.3328(2) 0.0350(8) Uani 1 1 d . . .
C37 C 0.0501(3) -0.0387(2) 0.1201(2) 0.0436(9) Uani 1 1 d . . .
H37 H 0.1148 -0.0758 0.1343 0.052 Uiso 1 1 calc R . .
C11 C 0.4949(3) 0.2633(3) 0.0968(2) 0.0526(10) Uani 1 1 d . . .
H11 H 0.4322 0.2997 0.0664 0.063 Uiso 1 1 calc R . .
C20 C 1.5672(3) 0.3319(2) 0.3682(2) 0.0439(9) Uani 1 1 d . . .
C12 C 1.3700(3) 0.2963(2) 0.2598(2) 0.0370(8) Uani 1 1 d . . .
H12 H 1.4067 0.2709 0.2307 0.044 Uiso 1 1 calc R . .
C26 C 0.5285(3) -0.0077(2) 0.3232(2) 0.0390(8) Uani 1 1 d . . .
H26 H 0.4825 -0.0507 0.2881 0.047 Uiso 1 1 calc R . .
C13 C 0.4737(3) 0.1752(3) 0.1102(2) 0.0532(11) Uani 1 1 d . . .
C24 C 0.6683(3) 0.1169(2) 0.42213(19) 0.0320(7) Uani 1 1 d . . .
H24 H 0.7155 0.1610 0.4550 0.038 Uiso 1 1 calc R . .
C14 C 0.5664(3) 0.1236(3) 0.1560(2) 0.0519(10) Uani 1 1 d . . .
H14 H 0.5534 0.0654 0.1659 0.062 Uiso 1 1 calc R . .
C15 C 1.2593(3) 0.3732(3) 0.3442(2) 0.0430(9) Uani 1 1 d . . .
H15 H 1.2229 0.3999 0.3730 0.052 Uiso 1 1 calc R . .
C16 C 0.6077(3) 0.2962(3) 0.1283(2) 0.0428(9) Uani 1 1 d . . .
H16 H 0.6209 0.3546 0.1190 0.051 Uiso 1 1 calc R . .
C21 C 0.3502(4) 0.1397(4) 0.0720(3) 0.0720(15) Uani 1 1 d . . .
C23 C 0.6470(3) -0.0034(2) 0.3434(2) 0.0372(8) Uani 1 1 d . . .
H23 H 0.6796 -0.0450 0.3217 0.045 Uiso 1 1 calc R . .
C17 C 0.6787(3) 0.1565(2) 0.1878(2) 0.0423(9) Uani 1 1 d . . .
H17 H 0.7405 0.1202 0.2194 0.051 Uiso 1 1 calc R . .
C18 C 1.3803(3) 0.3741(3) 0.3739(2) 0.0480(10) Uani 1 1 d . . .
H18 H 1.4243 0.4011 0.4224 0.058 Uiso 1 1 calc R . .
O1W O 0.0886(3) 0.2635(3) 0.0315(2) 0.1049(12) Uani 1 1 d . . .
H1WB H 0.1252 0.2876 0.0073 0.157 Uiso 1 1 d R . .
H1WA H 0.0528 0.3029 0.0455 0.157 Uiso 1 1 d R . .


_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 O1 1.994(2) . ?
Co1 O9 2.041(2) 4_566 ?
Co1 O8 2.054(2) 2_745 ?
Co1 N1 2.094(2) . ?
Co1 O3 2.222(2) . ?
Co1 O3 2.303(2) 3_756 ?
O4 C21 1.287(6) . ?
O4 H4 0.8200 . ?
O5 C21 1.216(6) . ?
O6 C20 1.199(4) . ?
O7 C20 1.320(4) . ?
O7 H7 0.8200 . ?
O2 C22 1.226(4) . ?
O1 C22 1.248(4) . ?
O9 C19 1.266(3) . ?
O9 Co1 2.041(2) 4_565 ?
O8 C19 1.258(3) . ?
O8 Co1 2.054(2) 2_755 ?
O3 Co1 2.303(2) 3_756 ?
N1 C23 1.333(4) . ?
N1 C24 1.344(4) . ?
N2 C30 1.327(4) . ?
N2 C29 1.333(4) . ?
N3 C35 1.304(6) . ?
N3 C36 1.327(5) . ?
C1 C3 1.402(4) . ?
C1 C7 1.405(4) . ?
C1 C2 1.484(4) . ?
C27 C25 1.377(4) . ?
C27 C26 1.396(4) . ?
C27 C28 1.480(4) . ?
C28 C29 1.379(4) . ?
C28 C32 1.395(4) . ?
C22 C4 1.511(4) . ?
C2 C15 1.378(4) . ?
C2 C9 1.390(4) . ?
C3 C4 1.384(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.398(4) . ?
C31 C32 1.379(4) . ?
C31 C30 1.385(4) . ?
C31 C33 1.475(4) . ?
C32 H32 0.9300 . ?
C19 C7 1.503(4) . ?
C5 C6 1.389(4) . ?
C5 C8 1.480(4) . ?
C6 C7 1.389(4) . ?
C6 H6 0.9300 . ?
C8 C17 1.387(5) . ?
C8 C16 1.390(5) . ?
C30 H30 0.9300 . ?
C34 C35 1.363(5) . ?
C34 C33 1.393(5) . ?
C34 H34 0.9300 . ?
C29 H29 0.9300 . ?
C36 C37 1.398(5) . ?
C36 H36 0.9300 . ?
C9 C12 1.388(4) . ?
C9 H9 0.9300 . ?
C35 H35 0.9300 . ?
C25 C24 1.375(4) . ?
C25 H25 0.9300 . ?
C33 C37 1.365(5) . ?
C10 C18 1.374(5) . ?
C10 C12 1.391(5) . ?
C10 C20 1.482(4) . ?
C37 H37 0.9300 . ?
C11 C16 1.376(5) . ?
C11 C13 1.405(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C26 C23 1.372(4) . ?
C26 H26 0.9300 . ?
C13 C14 1.361(6) . ?
C13 C21 1.504(5) . ?
C24 H24 0.9300 . ?
C14 C17 1.371(5) . ?
C14 H14 0.9300 . ?
C15 C18 1.379(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C23 H23 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
O1W H1WB 0.8499 . ?
O1W H1WA 0.8500 . ?

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
O1 Co1 O9 108.41(10) . 4_566 ?
O1 Co1 O8 89.29(9) . 2_745 ?
O9 Co1 O8 156.17(8) 4_566 2_745 ?
O1 Co1 N1 98.48(9) . . ?
O9 Co1 N1 92.08(9) 4_566 . ?
O8 Co1 N1 101.17(9) 2_745 . ?
O1 Co1 O3 169.10(8) . . ?
O9 Co1 O3 80.55(8) 4_566 . ?
O8 Co1 O3 80.43(8) 2_745 . ?
N1 Co1 O3 87.15(9) . . ?
O1 Co1 O3 80.89(8) . 3_756 ?
O9 Co1 O3 80.34(8) 4_566 3_756 ?
O8 Co1 O3 87.12(8) 2_745 3_756 ?
N1 Co1 O3 171.69(9) . 3_756 ?
O3 Co1 O3 94.87(8) . 3_756 ?
C21 O4 H4 109.5 . . ?
C20 O7 H7 109.5 . . ?
C22 O1 Co1 131.94(19) . . ?
C19 O9 Co1 132.50(19) . 4_565 ?
C19 O8 Co1 124.69(19) . 2_755 ?
Co1 O3 Co1 85.13(8) . 3_756 ?
C23 N1 C24 116.9(3) . . ?
C23 N1 Co1 122.9(2) . . ?
C24 N1 Co1 119.8(2) . . ?
C30 N2 C29 116.7(3) . . ?
C35 N3 C36 118.2(4) . . ?
C3 C1 C7 117.4(3) . . ?
C3 C1 C2 116.6(3) . . ?
C7 C1 C2 125.9(3) . . ?
C25 C27 C26 117.1(3) . . ?
C25 C27 C28 120.5(3) . . ?
C26 C27 C28 122.4(3) . . ?
C29 C28 C32 117.0(3) . . ?
C29 C28 C27 120.7(3) . . ?
C32 C28 C27 122.4(3) . . ?
O2 C22 O1 125.6(3) . . ?
O2 C22 C4 119.8(3) . . ?
O1 C22 C4 114.5(3) . . ?
C15 C2 C9 118.1(3) . . ?
C15 C2 C1 120.9(3) . . ?
C9 C2 C1 120.6(3) . . ?
C4 C3 C1 122.8(3) . . ?
C4 C3 H3 118.6 . . ?
C1 C3 H3 118.6 . . ?
C3 C4 C5 119.7(3) . . ?
C3 C4 C22 117.4(3) . . ?
C5 C4 C22 122.9(2) . . ?
C32 C31 C30 117.8(3) . . ?
C32 C31 C33 122.6(3) . . ?
C30 C31 C33 119.5(3) . . ?
C31 C32 C28 119.7(3) . . ?
C31 C32 H32 120.2 . . ?
C28 C32 H32 120.2 . . ?
O8 C19 O9 125.3(3) . . ?
O8 C19 C7 118.3(3) . . ?
O9 C19 C7 116.3(3) . . ?
C6 C5 C4 117.5(3) . . ?
C6 C5 C8 119.5(3) . . ?
C4 C5 C8 122.8(2) . . ?
C7 C6 C5 123.4(3) . . ?
C7 C6 H6 118.3 . . ?
C5 C6 H6 118.3 . . ?
C6 C7 C1 119.0(3) . . ?
C6 C7 C19 116.6(3) . . ?
C1 C7 C19 124.3(3) . . ?
C17 C8 C16 117.9(3) . . ?
C17 C8 C5 121.1(3) . . ?
C16 C8 C5 120.9(3) . . ?
N2 C30 C31 124.0(3) . . ?
N2 C30 H30 118.0 . . ?
C31 C30 H30 118.0 . . ?
C35 C34 C33 119.6(4) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
N2 C29 C28 124.7(3) . . ?
N2 C29 H29 117.6 . . ?
C28 C29 H29 117.6 . . ?
N3 C36 C37 123.3(4) . . ?
N3 C36 H36 118.4 . . ?
C37 C36 H36 118.4 . . ?
C12 C9 C2 121.0(3) . . ?
C12 C9 H9 119.5 . . ?
C2 C9 H9 119.5 . . ?
N3 C35 C34 123.0(4) . . ?
N3 C35 H35 118.5 . . ?
C34 C35 H35 118.5 . . ?
C24 C25 C27 120.0(3) . . ?
C24 C25 H25 120.0 . . ?
C27 C25 H25 120.0 . . ?
C37 C33 C34 118.1(3) . . ?
C37 C33 C31 121.9(3) . . ?
C34 C33 C31 120.0(3) . . ?
C18 C10 C12 118.8(3) . . ?
C18 C10 C20 120.1(3) . . ?
C12 C10 C20 120.9(3) . . ?
C33 C37 C36 117.8(4) . . ?
C33 C37 H37 121.1 . . ?
C36 C37 H37 121.1 . . ?
C16 C11 C13 120.4(4) . . ?
C16 C11 H11 119.8 . . ?
C13 C11 H11 119.8 . . ?
O6 C20 O7 123.9(3) . . ?
O6 C20 C10 122.9(3) . . ?
O7 C20 C10 113.0(3) . . ?
C9 C12 C10 119.9(3) . . ?
C9 C12 H12 120.0 . . ?
C10 C12 H12 120.0 . . ?
C23 C26 C27 119.4(3) . . ?
C23 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C14 C13 C11 118.9(3) . . ?
C14 C13 C21 121.7(4) . . ?
C11 C13 C21 119.4(4) . . ?
N1 C24 C25 123.0(3) . . ?
N1 C24 H24 118.5 . . ?
C25 C24 H24 118.5 . . ?
C13 C14 C17 120.7(4) . . ?
C13 C14 H14 119.7 . . ?
C17 C14 H14 119.7 . . ?
C2 C15 C18 121.1(3) . . ?
C2 C15 H15 119.5 . . ?
C18 C15 H15 119.5 . . ?
C11 C16 C8 120.5(4) . . ?
C11 C16 H16 119.8 . . ?
C8 C16 H16 119.8 . . ?
O5 C21 O4 125.1(4) . . ?
O5 C21 C13 120.1(5) . . ?
O4 C21 C13 114.8(5) . . ?
N1 C23 C26 123.5(3) . . ?
N1 C23 H23 118.2 . . ?
C26 C23 H23 118.2 . . ?
C14 C17 C8 121.6(3) . . ?
C14 C17 H17 119.2 . . ?
C8 C17 H17 119.2 . . ?
C10 C18 C15 121.0(3) . . ?
C10 C18 H18 119.5 . . ?
C15 C18 H18 119.5 . . ?
H1WB O1W H1WA 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
O9 Co1 O1 C22 -44.1(3) 4_566 . . . ?
O8 Co1 O1 C22 152.1(3) 2_745 . . . ?
N1 Co1 O1 C22 50.9(3) . . . . ?
O3 Co1 O1 C22 171.5(4) . . . . ?
O3 Co1 O1 C22 -120.7(3) 3_756 . . . ?
O1 Co1 O3 Co1 66.6(5) . . . 3_756 ?
O9 Co1 O3 Co1 -79.34(8) 4_566 . . 3_756 ?
O8 Co1 O3 Co1 86.24(7) 2_745 . . 3_756 ?
N1 Co1 O3 Co1 -171.93(8) . . . 3_756 ?
O3 Co1 O3 Co1 0.0 3_756 . . 3_756 ?
O1 Co1 N1 C23 100.4(2) . . . . ?
O9 Co1 N1 C23 -150.6(2) 4_566 . . . ?
O8 Co1 N1 C23 9.5(3) 2_745 . . . ?
O3 Co1 N1 C23 -70.2(2) . . . . ?
O3 Co1 N1 C23 -174.5(5) 3_756 . . . ?
O1 Co1 N1 C24 -87.6(2) . . . . ?
O9 Co1 N1 C24 21.4(2) 4_566 . . . ?
O8 Co1 N1 C24 -178.5(2) 2_745 . . . ?
O3 Co1 N1 C24 101.8(2) . . . . ?
O3 Co1 N1 C24 -2.6(7) 3_756 . . . ?
C25 C27 C28 C29 -43.2(5) . . . . ?
C26 C27 C28 C29 136.7(4) . . . . ?
C25 C27 C28 C32 135.9(3) . . . . ?
C26 C27 C28 C32 -44.2(5) . . . . ?
Co1 O1 C22 O2 8.0(5) . . . . ?
Co1 O1 C22 C4 -175.40(19) . . . . ?
C3 C1 C2 C15 -53.0(4) . . . . ?
C7 C1 C2 C15 131.8(4) . . . . ?
C3 C1 C2 C9 119.6(3) . . . . ?
C7 C1 C2 C9 -55.6(4) . . . . ?
C7 C1 C3 C4 1.8(4) . . . . ?
C2 C1 C3 C4 -173.8(3) . . . . ?
C1 C3 C4 C5 1.9(5) . . . . ?
C1 C3 C4 C22 -177.9(3) . . . . ?
O2 C22 C4 C3 106.4(3) . . . . ?
O1 C22 C4 C3 -70.5(4) . . . . ?
O2 C22 C4 C5 -73.4(4) . . . . ?
O1 C22 C4 C5 109.7(3) . . . . ?
C30 C31 C32 C28 -1.6(5) . . . . ?
C33 C31 C32 C28 -179.1(3) . . . . ?
C29 C28 C32 C31 2.7(5) . . . . ?
C27 C28 C32 C31 -176.4(3) . . . . ?
Co1 O8 C19 O9 11.2(4) 2_755 . . . ?
Co1 O8 C19 C7 -164.17(19) 2_755 . . . ?
Co1 O9 C19 O8 -3.4(5) 4_565 . . . ?
Co1 O9 C19 C7 172.08(19) 4_565 . . . ?
C3 C4 C5 C6 -3.6(4) . . . . ?
C22 C4 C5 C6 176.2(3) . . . . ?
C3 C4 C5 C8 171.6(3) . . . . ?
C22 C4 C5 C8 -8.7(5) . . . . ?
C4 C5 C6 C7 1.6(5) . . . . ?
C8 C5 C6 C7 -173.7(3) . . . . ?
C5 C6 C7 C1 2.2(5) . . . . ?
C5 C6 C7 C19 -174.9(3) . . . . ?
C3 C1 C7 C6 -3.8(4) . . . . ?
C2 C1 C7 C6 171.4(3) . . . . ?
C3 C1 C7 C19 173.1(3) . . . . ?
C2 C1 C7 C19 -11.7(5) . . . . ?
O8 C19 C7 C6 148.6(3) . . . . ?
O9 C19 C7 C6 -27.2(4) . . . . ?
O8 C19 C7 C1 -28.3(4) . . . . ?
O9 C19 C7 C1 155.9(3) . . . . ?
C6 C5 C8 C17 129.7(3) . . . . ?
C4 C5 C8 C17 -45.3(4) . . . . ?
C6 C5 C8 C16 -46.5(4) . . . . ?
C4 C5 C8 C16 138.5(3) . . . . ?
C29 N2 C30 C31 2.2(5) . . . . ?
C32 C31 C30 N2 -1.0(5) . . . . ?
C33 C31 C30 N2 176.6(3) . . . . ?
C30 N2 C29 C28 -1.0(5) . . . . ?
C32 C28 C29 N2 -1.5(5) . . . . ?
C27 C28 C29 N2 177.7(3) . . . . ?
C35 N3 C36 C37 0.2(6) . . . . ?
C15 C2 C9 C12 0.5(5) . . . . ?
C1 C2 C9 C12 -172.2(3) . . . . ?
C36 N3 C35 C34 -1.6(7) . . . . ?
C33 C34 C35 N3 0.6(7) . . . . ?
C26 C27 C25 C24 0.0(5) . . . . ?
C28 C27 C25 C24 180.0(3) . . . . ?
C35 C34 C33 C37 1.8(6) . . . . ?
C35 C34 C33 C31 -175.3(4) . . . . ?
C32 C31 C33 C37 46.7(5) . . . . ?
C30 C31 C33 C37 -130.8(3) . . . . ?
C32 C31 C33 C34 -136.4(4) . . . . ?
C30 C31 C33 C34 46.2(5) . . . . ?
C34 C33 C37 C36 -3.0(5) . . . . ?
C31 C33 C37 C36 174.0(3) . . . . ?
N3 C36 C37 C33 2.2(6) . . . . ?
C18 C10 C20 O6 22.3(6) . . . . ?
C12 C10 C20 O6 -154.5(4) . . . . ?
C18 C10 C20 O7 -162.2(4) . . . . ?
C12 C10 C20 O7 20.9(5) . . . . ?
C2 C9 C12 C10 0.6(5) . . . . ?
C18 C10 C12 C9 -1.3(5) . . . . ?
C20 C10 C12 C9 175.6(3) . . . . ?
C25 C27 C26 C23 1.2(5) . . . . ?
C28 C27 C26 C23 -178.8(3) . . . . ?
C16 C11 C13 C14 1.3(6) . . . . ?
C16 C11 C13 C21 -177.2(4) . . . . ?
C23 N1 C24 C25 2.2(5) . . . . ?
Co1 N1 C24 C25 -170.2(2) . . . . ?
C27 C25 C24 N1 -1.8(5) . . . . ?
C11 C13 C14 C17 -0.8(6) . . . . ?
C21 C13 C14 C17 177.6(4) . . . . ?
C9 C2 C15 C18 -0.9(5) . . . . ?
C1 C2 C15 C18 171.8(3) . . . . ?
C13 C11 C16 C8 -0.2(6) . . . . ?
C17 C8 C16 C11 -1.2(5) . . . . ?
C5 C8 C16 C11 175.1(3) . . . . ?
C14 C13 C21 O5 -178.7(5) . . . . ?
C11 C13 C21 O5 -0.3(7) . . . . ?
C14 C13 C21 O4 -0.6(6) . . . . ?
C11 C13 C21 O4 177.8(4) . . . . ?
C24 N1 C23 C26 -0.9(5) . . . . ?
Co1 N1 C23 C26 171.3(3) . . . . ?
C27 C26 C23 N1 -0.7(5) . . . . ?
C13 C14 C17 C8 -0.6(6) . . . . ?
C16 C8 C17 C14 1.6(5) . . . . ?
C5 C8 C17 C14 -174.6(3) . . . . ?
C12 C10 C18 C15 0.9(6) . . . . ?
C20 C10 C18 C15 -176.0(3) . . . . ?
C2 C15 C18 C10 0.2(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.38
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.094
