# 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_a_sq
_database_code_depnum_ccdc_archive 'CCDC 1503048'
loop_
_audit_author_name
_audit_author_address
'Zhichao Shao'
;Zhengzhou University
China
;
_audit_update_record             
;
2019-03-20 deposited with the CCDC.	2019-03-22 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            'C38 H28 Co3 N6 O14'
_chemical_formula_weight         969.45

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   28.7693(11)
_cell_length_b                   10.0680(4)
_cell_length_c                   21.9942(9)
_cell_angle_alpha                90
_cell_angle_beta                 128.3810(10)
_cell_angle_gamma                90
_cell_volume                     4993.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9974
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.38

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_F_000             1964
_exptl_transmission_factor_min   0.6770
_exptl_transmission_factor_max   0.7456
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.046
_shelx_estimated_absorpt_T_min   0.867
_shelx_estimated_absorpt_T_max   0.903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS(Bruker 2000)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42033
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.231
_diffrn_reflns_theta_max         27.551
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5755
_reflns_number_gt                4729
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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 D8 VENTURE'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0577P)²+5.4680P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5755
_refine_ls_number_parameters     278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0320
_refine_ls_wR_factor_ref         0.0972
_refine_ls_wR_factor_gt          0.0910
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_restrained_S_all      0.992
_refine_ls_shift/su_max          0.000
_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 0.500000 0.500000 0.500000 0.01940(9) Uani 1 2 d S . P . .
Co2 Co 0.34848(2) 0.09695(2) 0.42014(2) 0.02264(9) Uani 1 1 d . . . . .
O1 O 0.33275(7) 0.97085(13) 0.33186(8) 0.0319(3) Uani 1 1 d . . . . .
O2 O 0.35374(7) 0.88273(14) 0.43678(8) 0.0357(4) Uani 1 1 d . . . . .
O3 O 0.37381(7) 0.60406(15) 0.50173(9) 0.0374(4) Uani 1 1 d . . . . .
O4 O 0.45074(6) 0.64904(13) 0.50457(7) 0.0272(3) Uani 1 1 d . . . . .
O5 O 0.33793(6) 0.27634(13) 0.36935(8) 0.0291(3) Uani 1 1 d . . . . .
O6 O 0.42714(6) 0.36949(12) 0.44578(8) 0.0266(3) Uani 1 1 d . . . . .
O7 O 0.44042(7) 0.09287(18) 0.47404(11) 0.0522(5) Uani 1 1 d . . . . .
H7A H 0.418313 0.042648 0.477841 0.078 Uiso 1 1 d R U . . .
H7B H 0.454460 0.171334 0.483450 0.078 Uiso 1 1 d R U . . .
N1 N 0.24707(7) 0.60082(16) 0.13698(9) 0.0273(4) Uani 1 1 d . . . . .
H1A H 0.238617 0.525594 0.113742 0.033 Uiso 1 1 calc R U . . .
H1B H 0.232655 0.672904 0.110388 0.033 Uiso 1 1 calc R U . . .
N2 N 0.37174(8) 0.16609(17) 0.52665(9) 0.0304(4) Uani 1 1 d . . . . .
N3 N 0.47389(7) 0.42294(16) 0.89157(9) 0.0242(3) Uani 1 1 d . . . . .
C1 C 0.46342(10) 0.2931(2) 0.87538(11) 0.0322(4) Uani 1 1 d . . . . .
H1 H 0.469363 0.236749 0.913142 0.039 Uiso 1 1 calc R U . . .
C2 C 0.46478(10) 0.5005(2) 0.83593(12) 0.0342(5) Uani 1 1 d . . . . .
H2 H 0.471910 0.591022 0.845706 0.041 Uiso 1 1 calc R U . . .
C3 C 0.44543(10) 0.4539(2) 0.76487(12) 0.0359(5) Uani 1 1 d . . . . .
H3 H 0.439672 0.512643 0.728094 0.043 Uiso 1 1 calc R U . . .
C4 C 0.43448(9) 0.3191(2) 0.74797(11) 0.0273(4) Uani 1 1 d . . . . .
C5 C 0.44427(10) 0.2382(2) 0.80568(12) 0.0342(5) Uani 1 1 d . . . . .
H5 H 0.437992 0.147113 0.797654 0.041 Uiso 1 1 calc R U . . .
C6 C 0.41272(9) 0.2653(2) 0.67141(11) 0.0286(4) Uani 1 1 d . . . . .
C7 C 0.41597(12) 0.1314(2) 0.65969(13) 0.0441(6) Uani 1 1 d . . . . .
H7 H 0.432291 0.072002 0.700670 0.053 Uiso 1 1 calc R U . . .
C8 C 0.39516(12) 0.0857(2) 0.58772(13) 0.0422(6) Uani 1 1 d . . . . .
H8 H 0.397502 -0.004716 0.581344 0.051 Uiso 1 1 calc R U . . .
C9 C 0.37029(12) 0.2947(2) 0.53836(13) 0.0427(6) Uani 1 1 d . . . . .
H9 H 0.355165 0.352559 0.496993 0.051 Uiso 1 1 calc R U . . .
C10 C 0.39005(12) 0.3472(2) 0.60867(13) 0.0441(6) Uani 1 1 d . . . . .
H10 H 0.388023 0.438298 0.613667 0.053 Uiso 1 1 calc R U . . .
C11 C 0.39615(8) 0.62549(17) 0.46945(10) 0.0229(4) Uani 1 1 d . . . . .
C12 C 0.34018(8) 0.86957(18) 0.37076(11) 0.0241(4) Uani 1 1 d . . . . .
C13 C 0.37250(8) 0.37253(17) 0.38983(10) 0.0208(4) Uani 1 1 d . . . . .
C14 C 0.34527(8) 0.49859(16) 0.34439(10) 0.0201(3) Uani 1 1 d . . . . .
C15 C 0.35640(7) 0.62035(17) 0.38155(10) 0.0191(3) Uani 1 1 d . . . . .
C16 C 0.33115(8) 0.73460(17) 0.33620(10) 0.0213(4) Uani 1 1 d . . . . .
C17 C 0.29655(8) 0.72738(17) 0.25602(10) 0.0224(4) Uani 1 1 d . . . . .
H17 H 0.281069 0.804750 0.226666 0.027 Uiso 1 1 calc R U . . .
C18 C 0.28481(8) 0.60599(18) 0.21920(10) 0.0217(4) Uani 1 1 d . . . . .
C19 C 0.30866(8) 0.49146(17) 0.26350(10) 0.0221(4) Uani 1 1 d . . . . .
H19 H 0.300255 0.409401 0.239269 0.027 Uiso 1 1 calc R U . . .


_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 O6 2.1067(12) 5_666 ?
Co1 O6 2.1068(12) . ?
Co1 O4 2.1088(13) . ?
Co1 O4 2.1088(13) 5_666 ?
Co1 N3 2.1516(15) 6_565 ?
Co1 N3 2.1516(15) 2_656 ?
Co2 O5 2.0448(13) . ?
Co2 N2 2.1149(16) . ?
Co2 O1 2.1204(14) 1_545 ?
Co2 O7 2.1237(16) . ?
Co2 O2 2.1771(14) 1_545 ?
Co2 N1 2.2018(17) 4_545 ?
Co2 C12 2.4810(18) 1_545 ?
Co2 H7A 1.6673 . ?
O1 C12 1.261(2) . ?
O2 C12 1.255(2) . ?
O3 C11 1.237(2) . ?
O4 C11 1.270(2) . ?
O5 C13 1.254(2) . ?
O6 C13 1.259(2) . ?
O7 H7A 0.8563 . ?
O7 H7B 0.8522 . ?
N1 C18 1.419(2) . ?
N1 H1A 0.8600 . ?
N1 H1B 0.8600 . ?
N2 C9 1.326(3) . ?
N2 C8 1.338(3) . ?
N3 C2 1.333(3) . ?
N3 C1 1.339(3) . ?
C1 C5 1.382(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(3) . ?
C4 C6 1.487(3) . ?
C5 H5 0.9300 . ?
C6 C10 1.375(3) . ?
C6 C7 1.387(3) . ?
C7 C8 1.378(3) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.379(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C15 1.517(2) . ?
C12 C16 1.499(2) . ?
C13 C14 1.500(2) . ?
C14 C15 1.396(2) . ?
C14 C19 1.398(2) . ?
C15 C16 1.395(2) . ?
C16 C17 1.388(2) . ?
C17 C18 1.387(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(2) . ?
C19 H19 0.9300 . ?

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
O6 Co1 O6 180.0 5_666 . ?
O6 Co1 O4 89.49(5) 5_666 . ?
O6 Co1 O4 90.51(5) . . ?
O6 Co1 O4 90.51(5) 5_666 5_666 ?
O6 Co1 O4 89.49(5) . 5_666 ?
O4 Co1 O4 180.0 . 5_666 ?
O6 Co1 N3 86.70(6) 5_666 6_565 ?
O6 Co1 N3 93.30(6) . 6_565 ?
O4 Co1 N3 90.79(6) . 6_565 ?
O4 Co1 N3 89.21(6) 5_666 6_565 ?
O6 Co1 N3 93.30(6) 5_666 2_656 ?
O6 Co1 N3 86.70(6) . 2_656 ?
O4 Co1 N3 89.21(6) . 2_656 ?
O4 Co1 N3 90.79(6) 5_666 2_656 ?
N3 Co1 N3 180.00(5) 6_565 2_656 ?
O5 Co2 N2 98.74(6) . . ?
O5 Co2 O1 98.84(6) . 1_545 ?
N2 Co2 O1 162.22(6) . 1_545 ?
O5 Co2 O7 91.89(7) . . ?
N2 Co2 O7 87.72(7) . . ?
O1 Co2 O7 89.04(6) 1_545 . ?
O5 Co2 O2 159.73(6) . 1_545 ?
N2 Co2 O2 101.46(6) . 1_545 ?
O1 Co2 O2 60.91(5) 1_545 1_545 ?
O7 Co2 O2 87.39(7) . 1_545 ?
O5 Co2 N1 87.91(6) . 4_545 ?
N2 Co2 N1 92.90(7) . 4_545 ?
O1 Co2 N1 90.41(6) 1_545 4_545 ?
O7 Co2 N1 179.37(7) . 4_545 ?
O2 Co2 N1 92.60(6) 1_545 4_545 ?
O5 Co2 C12 129.38(6) . 1_545 ?
N2 Co2 C12 131.82(7) . 1_545 ?
O1 Co2 C12 30.55(6) 1_545 1_545 ?
O7 Co2 C12 88.54(6) . 1_545 ?
O2 Co2 C12 30.37(6) 1_545 1_545 ?
N1 Co2 C12 91.13(6) 4_545 1_545 ?
O5 Co2 H7A 113.9 . . ?
N2 Co2 H7A 82.1 . . ?
O1 Co2 H7A 88.4 1_545 . ?
O7 Co2 H7A 22.2 . . ?
O2 Co2 H7A 67.8 1_545 . ?
N1 Co2 H7A 158.1 4_545 . ?
C12 Co2 H7A 76.9 1_545 . ?
C12 O1 Co2 90.73(11) . 1_565 ?
C12 O2 Co2 88.33(11) . 1_565 ?
C11 O4 Co1 116.87(11) . . ?
C13 O5 Co2 132.07(12) . . ?
C13 O6 Co1 137.56(12) . . ?
Co2 O7 H7A 47.4 . . ?
Co2 O7 H7B 110.8 . . ?
H7A O7 H7B 142.4 . . ?
C18 N1 Co2 115.10(12) . 4 ?
C18 N1 H1A 120.0 . . ?
Co2 N1 H1A 81.6 4 . ?
C18 N1 H1B 120.0 . . ?
Co2 N1 H1B 73.9 4 . ?
H1A N1 H1B 120.0 . . ?
C9 N2 C8 116.91(18) . . ?
C9 N2 Co2 120.67(14) . . ?
C8 N2 Co2 121.93(14) . . ?
C2 N3 C1 116.35(16) . . ?
C2 N3 Co1 122.74(13) . 2_656 ?
C1 N3 Co1 120.86(13) . 2_656 ?
N3 C1 C5 123.68(19) . . ?
N3 C1 H1 118.2 . . ?
C5 C1 H1 118.2 . . ?
N3 C2 C3 123.63(19) . . ?
N3 C2 H2 118.2 . . ?
C3 C2 H2 118.2 . . ?
C2 C3 C4 120.06(19) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 116.52(18) . . ?
C5 C4 C6 121.87(18) . . ?
C3 C4 C6 121.61(18) . . ?
C4 C5 C1 119.76(19) . . ?
C4 C5 H5 120.1 . . ?
C1 C5 H5 120.1 . . ?
C10 C6 C7 116.15(19) . . ?
C10 C6 C4 121.48(19) . . ?
C7 C6 C4 122.33(19) . . ?
C8 C7 C6 120.4(2) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
N2 C8 C7 122.7(2) . . ?
N2 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
N2 C9 C10 123.5(2) . . ?
N2 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
C6 C10 C9 120.3(2) . . ?
C6 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
O3 C11 O4 124.77(17) . . ?
O3 C11 C15 118.44(17) . . ?
O4 C11 C15 116.77(16) . . ?
O2 C12 O1 119.98(17) . . ?
O2 C12 C16 120.93(16) . . ?
O1 C12 C16 119.07(17) . . ?
O2 C12 Co2 61.30(10) . 1_565 ?
O1 C12 Co2 58.72(9) . 1_565 ?
C16 C12 Co2 176.21(14) . 1_565 ?
O5 C13 O6 124.25(16) . . ?
O5 C13 C14 116.38(15) . . ?
O6 C13 C14 119.37(15) . . ?
C15 C14 C19 120.53(16) . . ?
C15 C14 C13 121.19(16) . . ?
C19 C14 C13 118.28(15) . . ?
C16 C15 C14 118.51(16) . . ?
C16 C15 C11 121.92(15) . . ?
C14 C15 C11 119.56(15) . . ?
C17 C16 C15 120.63(16) . . ?
C17 C16 C12 116.98(16) . . ?
C15 C16 C12 122.39(15) . . ?
C16 C17 C18 120.70(16) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C19 C18 C17 119.21(16) . . ?
C19 C18 N1 121.24(16) . . ?
C17 C18 N1 119.52(16) . . ?
C18 C19 C14 120.35(16) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?

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
C2 N3 C1 C5 0.1(3) . . . . ?
Co1 N3 C1 C5 177.33(17) 2_656 . . . ?
C1 N3 C2 C3 0.3(3) . . . . ?
Co1 N3 C2 C3 -176.87(18) 2_656 . . . ?
N3 C2 C3 C4 -0.3(4) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C2 C3 C4 C6 179.1(2) . . . . ?
C3 C4 C5 C1 0.6(3) . . . . ?
C6 C4 C5 C1 -178.8(2) . . . . ?
N3 C1 C5 C4 -0.5(4) . . . . ?
C5 C4 C6 C10 164.6(2) . . . . ?
C3 C4 C6 C10 -14.7(3) . . . . ?
C5 C4 C6 C7 -17.7(3) . . . . ?
C3 C4 C6 C7 163.0(2) . . . . ?
C10 C6 C7 C8 -2.4(4) . . . . ?
C4 C6 C7 C8 179.9(2) . . . . ?
C9 N2 C8 C7 1.4(4) . . . . ?
Co2 N2 C8 C7 173.4(2) . . . . ?
C6 C7 C8 N2 0.7(4) . . . . ?
C8 N2 C9 C10 -1.7(4) . . . . ?
Co2 N2 C9 C10 -173.8(2) . . . . ?
C7 C6 C10 C9 2.1(4) . . . . ?
C4 C6 C10 C9 179.9(2) . . . . ?
N2 C9 C10 C6 0.0(4) . . . . ?
Co1 O4 C11 O3 109.91(18) . . . . ?
Co1 O4 C11 C15 -68.53(17) . . . . ?
Co2 O2 C12 O1 2.06(19) 1_565 . . . ?
Co2 O2 C12 C16 -176.47(16) 1_565 . . . ?
Co2 O1 C12 O2 -2.1(2) 1_565 . . . ?
Co2 O1 C12 C16 176.44(15) 1_565 . . . ?
Co2 O5 C13 O6 10.0(3) . . . . ?
Co2 O5 C13 C14 -168.83(13) . . . . ?
Co1 O6 C13 O5 -179.95(14) . . . . ?
Co1 O6 C13 C14 -1.2(3) . . . . ?
O5 C13 C14 C15 130.80(19) . . . . ?
O6 C13 C14 C15 -48.1(3) . . . . ?
O5 C13 C14 C19 -49.7(2) . . . . ?
O6 C13 C14 C19 131.42(19) . . . . ?
C19 C14 C15 C16 -1.3(3) . . . . ?
C13 C14 C15 C16 178.21(16) . . . . ?
C19 C14 C15 C11 179.80(17) . . . . ?
C13 C14 C15 C11 -0.7(3) . . . . ?
O3 C11 C15 C16 95.9(2) . . . . ?
O4 C11 C15 C16 -85.6(2) . . . . ?
O3 C11 C15 C14 -85.2(2) . . . . ?
O4 C11 C15 C14 93.4(2) . . . . ?
C14 C15 C16 C17 -1.0(3) . . . . ?
C11 C15 C16 C17 177.87(17) . . . . ?
C14 C15 C16 C12 179.54(17) . . . . ?
C11 C15 C16 C12 -1.5(3) . . . . ?
O2 C12 C16 C17 157.28(19) . . . . ?
O1 C12 C16 C17 -21.3(3) . . . . ?
O2 C12 C16 C15 -23.3(3) . . . . ?
O1 C12 C16 C15 158.17(18) . . . . ?
C15 C16 C17 C18 2.1(3) . . . . ?
C12 C16 C17 C18 -178.47(17) . . . . ?
C16 C17 C18 C19 -0.8(3) . . . . ?
C16 C17 C18 N1 177.11(17) . . . . ?
Co2 N1 C18 C19 94.77(18) 4 . . . ?
Co2 N1 C18 C17 -83.07(19) 4 . . . ?
C17 C18 C19 C14 -1.5(3) . . . . ?
N1 C18 C19 C14 -179.38(17) . . . . ?
C15 C14 C19 C18 2.6(3) . . . . ?
C13 C14 C19 C18 -176.91(17) . . . . ?

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 H1B N2 0.86 2.62 3.129(2) 119.0 4 yes
N1 H1A O2 0.86 2.59 3.166(2) 125.5 4_545 yes
O7 H7A O2 0.86 2.19 2.971(2) 152.5 1_545 yes
O7 H7B O6 0.85 2.12 2.827(2) 140.7 . yes

_refine_diff_density_max         0.518
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.067



