# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1876662'
loop_
_audit_author_name
_audit_author_address
'deyun ma'
;School of Food and Pharmaceutical Engineering, Zhaoqing University, Zhaoqing 526061, P. R. China
China
;
_audit_update_record             
;
2018-11-01 deposited with the CCDC.	2019-07-08 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         ?
_chemical_formula_sum            'C15 H14 Co N3 O5'
_chemical_formula_weight         375.22

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'
O O 0.0106 0.0060 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   6.6112(8)
_cell_length_b                   10.1529(14)
_cell_length_c                   12.4664(13)
_cell_angle_alpha                109.035(4)
_cell_angle_beta                 103.733(3)
_cell_angle_gamma                100.448(4)
_cell_volume                     737.27(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    583
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      22.15

_exptl_crystal_description       Block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_F_000             384
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    1.197
_shelx_estimated_absorpt_T_min   0.779
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_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  CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            2523
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.823
_diffrn_reflns_theta_max         24.983
_diffrn_reflns_theta_full        24.983
_diffrn_measured_fraction_theta_max 0.764
_diffrn_measured_fraction_theta_full 0.764
_diffrn_reflns_Laue_measured_fraction_max 0.764
_diffrn_reflns_Laue_measured_fraction_full 0.764
_diffrn_reflns_point_group_measured_fraction_max 0.764
_diffrn_reflns_point_group_measured_fraction_full 0.764
_reflns_number_total             1980
_reflns_number_gt                1602
_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    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0585P)²+2.3830P] 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         1980
_refine_ls_number_parameters     223
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0522
_refine_ls_wR_factor_ref         0.1461
_refine_ls_wR_factor_gt          0.1225
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.073
_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
C1 C 1.1030(9) 1.2304(6) 0.9120(6) 0.0178(14) Uani 1 1 d . . . . .
C2 C 1.0212(10) 1.3390(6) 0.8870(6) 0.0246(16) Uani 1 1 d . . . . .
H2 H 1.1162 1.4265 0.9000 0.030 Uiso 1 1 calc R U . . .
C3 C 0.8012(9) 1.3168(6) 0.8435(5) 0.0173(14) Uani 1 1 d . . . . .
C4 C 0.6568(10) 1.1849(6) 0.8216(6) 0.0216(15) Uani 1 1 d . . . . .
H4 H 0.5081 1.1698 0.7908 0.026 Uiso 1 1 calc R U . . .
C5 C 0.7347(9) 1.0779(6) 0.8455(5) 0.0163(14) Uani 1 1 d . . . . .
C6 C 0.9604(9) 1.0998(6) 0.8908(6) 0.0188(14) Uani 1 1 d . . . . .
H6 H 1.0131 1.0267 0.9064 0.023 Uiso 1 1 calc R U . . .
C7 C 0.7114(10) 1.4394(6) 0.8356(6) 0.0207(15) Uani 1 1 d . . . . .
C8 C 0.5820(9) 0.9416(6) 0.8353(6) 0.0201(16) Uani 1 1 d . . . . .
C9 C 0.2743(9) 0.3923(6) 0.5978(6) 0.0216(15) Uani 1 1 d . . . . .
H9 H 0.2730 0.3272 0.6358 0.026 Uiso 1 1 calc R U . . .
C10 C 0.3337(10) 0.5891(7) 0.5650(6) 0.0269(17) Uani 1 1 d . . . . .
H10 H 0.3855 0.6861 0.5772 0.032 Uiso 1 1 calc R U . . .
C11 C 0.2130(10) 0.4809(7) 0.4580(6) 0.0275(17) Uani 1 1 d . . . . .
H11 H 0.1624 0.4898 0.3852 0.033 Uiso 1 1 calc R U . . .
C12 C 0.0618(12) 0.2079(7) 0.3869(6) 0.037(2) Uani 1 1 d . . . . .
H12A H 0.1417 0.1797 0.3313 0.045 Uiso 1 1 calc R U . . .
H12B H -0.0792 0.2091 0.3422 0.045 Uiso 1 1 calc R U . . .
C13 C 0.0326(12) 0.0984(7) 0.4447(7) 0.035(2) Uani 1 1 d . . . . .
C14 C 0.1640(13) 0.0100(9) 0.4491(8) 0.046(2) Uani 1 1 d . . . . .
H14 H 0.2728 0.0145 0.4137 0.056 Uiso 1 1 calc R U . . .
C15 C 0.1385(14) -0.0869(9) 0.5053(9) 0.055(3) Uani 1 1 d . . . . .
H15 H 0.2331 -0.1439 0.5102 0.066 Uiso 1 1 calc R U . . .
Co1 Co 0.53509(12) 0.64203(8) 0.83548(8) 0.0190(3) Uani 1 1 d . . . . .
N1 N 1.3314(8) 1.2572(5) 0.9690(5) 0.0196(12) Uani 1 1 d . . . . .
H1A H 1.4031 1.3130 0.9402 0.024 Uiso 1 1 calc R U . . .
H1B H 1.3619 1.1725 0.9457 0.024 Uiso 1 1 calc R U . . .
N2 N 0.3677(7) 0.5336(5) 0.6526(5) 0.0219(13) Uani 1 1 d . . . . .
N3 N 0.1810(9) 0.3550(5) 0.4794(5) 0.0272(14) Uani 1 1 d . . . . .
O1 O 0.6555(7) 0.8321(4) 0.8239(4) 0.0280(12) Uani 1 1 d . . . . .
O2 O 0.3974(7) 0.9454(5) 0.8412(5) 0.0390(14) Uani 1 1 d . . . . .
O3 O 0.8181(6) 1.5451(4) 0.8202(4) 0.0225(11) Uani 1 1 d . . . . .
O4 O 0.5233(6) 1.4373(4) 0.8472(4) 0.0203(10) Uani 1 1 d . . . . .
O5 O 0.2537(7) 0.6968(5) 0.8717(5) 0.0301(12) Uani 1 1 d D . . . .
H2W H 0.127(5) 0.649(8) 0.858(7) 0.045 Uiso 1 1 d D U . . .
H1W H 0.253(12) 0.780(4) 0.872(7) 0.045 Uiso 1 1 d D 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
C1 C6 1.385(7) . ?
C1 C2 1.402(8) . ?
C1 N1 1.440(7) . ?
C2 C3 1.373(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.398(7) . ?
C3 C7 1.494(8) . ?
C4 C5 1.370(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.412(8) . ?
C5 C8 1.506(7) . ?
C6 H6 0.9300 . ?
C7 O3 1.269(7) . ?
C7 O4 1.283(8) . ?
C8 O2 1.246(8) . ?
C8 O1 1.272(8) . ?
C9 N2 1.321(8) . ?
C9 N3 1.349(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.358(9) . ?
C10 N2 1.375(7) . ?
C10 H10 0.9300 . ?
C11 N3 1.379(7) . ?
C11 H11 0.9300 . ?
C12 N3 1.483(8) . ?
C12 C13 1.518(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.362(11) . ?
C13 C15 1.420(12) 2_556 ?
C14 C15 1.391(10) . ?
C14 H14 0.9300 . ?
C15 C13 1.420(12) 2_556 ?
C15 H15 0.9300 . ?
Co1 O1 2.015(4) . ?
Co1 N2 2.088(5) . ?
Co1 O4 2.119(3) 1_545 ?
Co1 O5 2.141(5) . ?
Co1 N1 2.189(5) 2_777 ?
Co1 O3 2.285(4) 1_545 ?
N1 Co1 2.189(5) 2_777 ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
O3 Co1 2.285(4) 1_565 ?
O4 Co1 2.119(3) 1_565 ?
O5 H2W 0.84(2) . ?
O5 H1W 0.84(2) . ?

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
C6 C1 C2 119.5(5) . . ?
C6 C1 N1 119.3(5) . . ?
C2 C1 N1 121.0(5) . . ?
C3 C2 C1 120.2(5) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 120.5(5) . . ?
C2 C3 C7 120.5(5) . . ?
C4 C3 C7 118.4(6) . . ?
C5 C4 C3 119.8(6) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.2(5) . . ?
C4 C5 C8 120.7(5) . . ?
C6 C5 C8 118.9(5) . . ?
C1 C6 C5 119.8(5) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
O3 C7 O4 120.1(5) . . ?
O3 C7 C3 121.6(6) . . ?
O4 C7 C3 118.3(5) . . ?
O2 C8 O1 125.4(5) . . ?
O2 C8 C5 118.1(5) . . ?
O1 C8 C5 116.5(6) . . ?
N2 C9 N3 111.0(5) . . ?
N2 C9 H9 124.5 . . ?
N3 C9 H9 124.5 . . ?
C11 C10 N2 109.7(5) . . ?
C11 C10 H10 125.2 . . ?
N2 C10 H10 125.2 . . ?
C10 C11 N3 105.9(5) . . ?
C10 C11 H11 127.0 . . ?
N3 C11 H11 127.0 . . ?
N3 C12 C13 110.4(5) . . ?
N3 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
N3 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C15 119.1(7) . 2_556 ?
C14 C13 C12 122.0(8) . . ?
C15 C13 C12 118.9(7) 2_556 . ?
C13 C14 C15 121.2(9) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C13 119.6(8) . 2_556 ?
C14 C15 H15 120.2 . . ?
C13 C15 H15 120.2 2_556 . ?
O1 Co1 N2 94.81(18) . . ?
O1 Co1 O4 159.04(18) . 1_545 ?
N2 Co1 O4 88.56(17) . 1_545 ?
O1 Co1 O5 94.12(18) . . ?
N2 Co1 O5 92.0(2) . . ?
O4 Co1 O5 106.45(16) 1_545 . ?
O1 Co1 N1 90.62(18) . 2_777 ?
N2 Co1 N1 172.00(19) . 2_777 ?
O4 Co1 N1 88.46(16) 1_545 2_777 ?
O5 Co1 N1 81.74(19) . 2_777 ?
O1 Co1 O3 99.01(17) . 1_545 ?
N2 Co1 O3 92.60(19) . 1_545 ?
O4 Co1 O3 60.12(15) 1_545 1_545 ?
O5 Co1 O3 165.67(15) . 1_545 ?
N1 Co1 O3 92.36(18) 2_777 1_545 ?
C1 N1 Co1 119.3(4) . 2_777 ?
C1 N1 H1A 107.5 . . ?
Co1 N1 H1A 107.5 2_777 . ?
C1 N1 H1B 107.5 . . ?
Co1 N1 H1B 107.5 2_777 . ?
H1A N1 H1B 107.0 . . ?
C9 N2 C10 106.0(5) . . ?
C9 N2 Co1 125.0(4) . . ?
C10 N2 Co1 129.0(4) . . ?
C9 N3 C11 107.3(5) . . ?
C9 N3 C12 127.8(5) . . ?
C11 N3 C12 124.8(5) . . ?
C8 O1 Co1 130.5(5) . . ?
C7 O3 Co1 86.3(4) . 1_565 ?
C7 O4 Co1 93.4(3) . 1_565 ?
Co1 O5 H2W 134(6) . . ?
Co1 O5 H1W 111(6) . . ?
H2W O5 H1W 109(7) . . ?

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
C6 C1 C2 C3 0.9(10) . . . . ?
N1 C1 C2 C3 -173.6(6) . . . . ?
C1 C2 C3 C4 -1.2(10) . . . . ?
C1 C2 C3 C7 169.9(6) . . . . ?
C2 C3 C4 C5 1.1(10) . . . . ?
C7 C3 C4 C5 -170.1(6) . . . . ?
C3 C4 C5 C6 -0.8(10) . . . . ?
C3 C4 C5 C8 173.4(6) . . . . ?
C2 C1 C6 C5 -0.6(10) . . . . ?
N1 C1 C6 C5 174.0(6) . . . . ?
C4 C5 C6 C1 0.6(10) . . . . ?
C8 C5 C6 C1 -173.7(6) . . . . ?
C2 C3 C7 O3 29.2(10) . . . . ?
C4 C3 C7 O3 -159.6(6) . . . . ?
C2 C3 C7 O4 -149.4(6) . . . . ?
C4 C3 C7 O4 21.8(9) . . . . ?
C4 C5 C8 O2 -21.6(10) . . . . ?
C6 C5 C8 O2 152.6(6) . . . . ?
C4 C5 C8 O1 159.9(6) . . . . ?
C6 C5 C8 O1 -25.9(9) . . . . ?
N2 C10 C11 N3 -2.8(8) . . . . ?
N3 C12 C13 C14 -99.5(9) . . . . ?
N3 C12 C13 C15 81.2(9) . . . 2_556 ?
C15 C13 C14 C15 -2.5(14) 2_556 . . . ?
C12 C13 C14 C15 178.2(7) . . . . ?
C13 C14 C15 C13 2.5(14) . . . 2_556 ?
C6 C1 N1 Co1 -89.4(6) . . . 2_777 ?
C2 C1 N1 Co1 85.1(7) . . . 2_777 ?
N3 C9 N2 C10 -0.4(8) . . . . ?
N3 C9 N2 Co1 -179.4(4) . . . . ?
C11 C10 N2 C9 2.1(8) . . . . ?
C11 C10 N2 Co1 -179.0(5) . . . . ?
N2 C9 N3 C11 -1.3(8) . . . . ?
N2 C9 N3 C12 179.5(7) . . . . ?
C10 C11 N3 C9 2.5(8) . . . . ?
C10 C11 N3 C12 -178.3(7) . . . . ?
C13 C12 N3 C9 6.5(11) . . . . ?
C13 C12 N3 C11 -172.5(7) . . . . ?
O2 C8 O1 Co1 -10.3(10) . . . . ?
C5 C8 O1 Co1 168.1(4) . . . . ?
O4 C7 O3 Co1 1.6(6) . . . 1_565 ?
C3 C7 O3 Co1 -177.0(6) . . . 1_565 ?
O3 C7 O4 Co1 -1.8(6) . . . 1_565 ?
C3 C7 O4 Co1 176.9(5) . . . 1_565 ?

_refine_diff_density_max         0.483
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.107

####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1876665'
loop_
_audit_author_name
_audit_author_address
'deyun ma'
;School of Food and Pharmaceutical Engineering, Zhaoqing University, Zhaoqing 526061, P. R. China
China
;
_audit_update_record             
;
2018-11-01 deposited with the CCDC.	2019-07-08 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         ?
_chemical_formula_sum            'C26 H21 Co N6 O6'
_chemical_formula_weight         572.42

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'
O O 0.0106 0.0060 '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                   7.888(2)
_cell_length_b                   16.000(4)
_cell_length_c                   19.431(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.073(8)
_cell_angle_gamma                90
_cell_volume                     2406.7(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1703
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      21.80

_exptl_crystal_description       Block
_exptl_crystal_colour            pink
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_F_000             1176
_exptl_transmission_factor_min   0.864
_exptl_transmission_factor_max   0.864
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.770
_shelx_estimated_absorpt_T_min   0.849
_shelx_estimated_absorpt_T_max   0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_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  CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15275
_diffrn_reflns_av_unetI/netI     0.0991
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.661
_diffrn_reflns_theta_max         25.437
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4349
_reflns_number_gt                3062
_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    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0654P)²] 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         4349
_refine_ls_number_parameters     361
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1493
_refine_ls_wR_factor_gt          0.1298
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_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 0.5274(5) 0.3278(3) 0.43104(18) 0.0294(9) Uani 1 1 d . . . . .
C2 C 0.5433(5) 0.3073(2) 0.50116(19) 0.0287(9) Uani 1 1 d . . . . .
H2 H 0.4483 0.3122 0.5228 0.034 Uiso 1 1 calc R U . . .
C3 C 0.7003(5) 0.2793(2) 0.53960(18) 0.0265(8) Uani 1 1 d . . . . .
C4 C 0.8417(5) 0.2727(2) 0.50766(19) 0.0260(8) Uani 1 1 d . . . . .
H4 H 0.9480 0.2559 0.5335 0.031 Uiso 1 1 calc R U . . .
C5 C 0.8245(5) 0.2913(3) 0.43634(19) 0.0289(9) Uani 1 1 d . . . . .
C6 C 0.6671(5) 0.3177(3) 0.39832(19) 0.0310(9) Uani 1 1 d . . . . .
H6 H 0.6552 0.3287 0.3506 0.037 Uiso 1 1 calc R U . . .
C7 C 0.7126(5) 0.2552(2) 0.61554(19) 0.0269(9) Uani 1 1 d . . . . .
C8 C 0.9774(5) 0.2812(2) 0.40024(19) 0.0271(8) Uani 1 1 d . . . . .
C9 C 0.6794(5) 0.4420(3) 0.7613(2) 0.0402(10) Uani 1 1 d . . . . .
H9 H 0.6283 0.4581 0.7161 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7735(6) 0.4927(3) 0.8094(2) 0.0405(10) Uani 1 1 d . . . . .
H10 H 0.7980 0.5489 0.8039 0.049 Uiso 1 1 calc R U . . .
C11 C 0.7605(5) 0.3676(2) 0.8530(2) 0.0306(9) Uani 1 1 d . . . . .
H11 H 0.7775 0.3229 0.8842 0.037 Uiso 1 1 calc R U . . .
C12 C 1.0342(5) 0.4214(2) 0.9759(2) 0.0354(10) Uani 1 1 d . . . . .
H12 H 1.0564 0.3686 0.9598 0.042 Uiso 1 1 calc R U . . .
C13 C 0.9168(5) 0.4737(2) 0.9348(2) 0.0306(9) Uani 1 1 d . . . . .
C14 C 0.8814(5) 0.5518(2) 0.9585(2) 0.0351(9) Uani 1 1 d . . . . .
H14 H 0.8014 0.5863 0.9306 0.042 Uiso 1 1 calc R U . . .
C15 C 0.2873(5) 0.3806(3) 0.6446(2) 0.0397(10) Uani 1 1 d . . . . .
H15 H 0.3744 0.3877 0.6189 0.048 Uiso 1 1 calc R U . . .
C16 C 0.1489(5) 0.3431(3) 0.7242(2) 0.0443(11) Uani 1 1 d . . . . .
H16 H 0.1226 0.3193 0.7645 0.053 Uiso 1 1 calc R U . . .
C17 C 0.0386(6) 0.3889(3) 0.6764(3) 0.0528(13) Uani 1 1 d . . . . .
H17 H -0.0758 0.4015 0.6778 0.063 Uiso 1 1 calc R U . . .
C18 C 0.0634(5) 0.4591(2) 0.5626(2) 0.0354(10) Uani 1 1 d . . . . .
C19 C -0.1041(6) 0.4849(3) 0.5474(3) 0.0567(14) Uani 1 1 d . . . . .
H19 H -0.1772 0.4737 0.5786 0.068 Uiso 1 1 calc R U . . .
C20 C 0.1659(6) 0.4724(3) 0.5141(3) 0.0591(14) Uani 1 1 d . . . . .
H20 H 0.2787 0.4523 0.5227 0.071 Uiso 1 1 calc R U . . .
C21 C 0.2878(5) 0.1411(2) 0.6307(2) 0.0346(9) Uani 1 1 d . . . . .
H21 H 0.2927 0.1778 0.5941 0.041 Uiso 1 1 calc R U . . .
C22 C 0.3266(6) 0.0868(3) 0.7322(2) 0.0528(13) Uani 1 1 d . . . . .
H22 H 0.3641 0.0787 0.7801 0.063 Uiso 1 1 calc R U . . .
C23 C 0.2228(7) 0.0341(3) 0.6889(2) 0.0564(14) Uani 1 1 d . . . . .
H23 H 0.1775 -0.0162 0.7013 0.068 Uiso 1 1 calc R U . . .
C24 C 0.0588(5) 0.0814(2) 0.5006(2) 0.0333(9) Uani 1 1 d . . . . .
H24 H 0.0985 0.1361 0.5008 0.040 Uiso 1 1 calc R U . . .
C25 C 0.0963(5) 0.0338(2) 0.56042(19) 0.0283(9) Uani 1 1 d . . . . .
C26 C 0.0387(5) -0.0475(2) 0.5601(2) 0.0349(9) Uani 1 1 d . . . . .
H26 H 0.0650 -0.0797 0.6006 0.042 Uiso 1 1 calc R U . . .
Co1 Co 0.52355(6) 0.25818(3) 0.74083(2) 0.02458(19) Uani 1 1 d . . . . .
N1 N 0.3058(4) 0.3376(2) 0.70336(17) 0.0367(8) Uani 1 1 d . . . . .
N2 N 0.1276(4) 0.4130(2) 0.62595(18) 0.0368(8) Uani 1 1 d . . . . .
N3 N 0.1971(4) 0.0689(2) 0.62333(16) 0.0310(8) Uani 1 1 d . . . . .
N4 N 0.3681(4) 0.1534(2) 0.69567(16) 0.0337(8) Uani 1 1 d . . . . .
N5 N 0.6695(4) 0.3633(2) 0.78853(16) 0.0308(7) Uani 1 1 d . . . . .
N6 N 0.8260(4) 0.4448(2) 0.86823(16) 0.0315(8) Uani 1 1 d . . . . .
O1 O 1.1258(3) 0.28256(18) 0.43813(14) 0.0361(7) Uani 1 1 d . . . . .
O2 O 0.9428(4) 0.27136(19) 0.33506(14) 0.0407(7) Uani 1 1 d . . . . .
O3 O 0.3754(3) 0.3579(2) 0.39301(14) 0.0404(7) Uani 1 1 d D . . . .
H1O H 0.299(4) 0.330(2) 0.408(2) 0.048 Uiso 1 1 d D U . . .
O4 O 0.8321(4) 0.2080(2) 0.64238(13) 0.0412(7) Uani 1 1 d . . . . .
O5 O 0.5956(3) 0.28462(18) 0.64475(13) 0.0359(7) Uani 1 1 d . . . . .
O6 O 0.7350(4) 0.1775(2) 0.76021(14) 0.0395(7) Uani 1 1 d D . . . .
H1W H 0.798(5) 0.172(3) 0.7998(14) 0.059 Uiso 1 1 d D U . . .
H2W H 0.806(5) 0.191(3) 0.735(2) 0.059 Uiso 1 1 d D 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
C1 O3 1.370(4) . ?
C1 C6 1.383(5) . ?
C1 C2 1.383(5) . ?
C2 C3 1.391(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(5) . ?
C3 C7 1.510(5) . ?
C4 C5 1.398(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.384(5) . ?
C5 C8 1.516(5) . ?
C6 H6 0.9300 . ?
C7 O4 1.242(5) . ?
C7 O5 1.263(4) . ?
C8 O2 1.253(4) . ?
C8 O1 1.257(4) . ?
C9 C10 1.348(6) . ?
C9 N5 1.375(5) . ?
C9 H9 0.9300 . ?
C10 N6 1.372(5) . ?
C10 H10 0.9300 . ?
C11 N5 1.321(5) . ?
C11 N6 1.349(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(5) . ?
C12 C14 1.388(5) 3_767 ?
C12 H12 0.9300 . ?
C13 C14 1.378(5) . ?
C13 N6 1.430(5) . ?
C14 C12 1.388(5) 3_767 ?
C14 H14 0.9300 . ?
C15 N1 1.317(5) . ?
C15 N2 1.346(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(6) . ?
C16 N1 1.377(5) . ?
C16 H16 0.9300 . ?
C17 N2 1.367(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.362(6) . ?
C18 C20 1.371(6) . ?
C18 N2 1.440(5) . ?
C19 C20 1.383(6) 3_566 ?
C19 H19 0.9300 . ?
C20 C19 1.383(6) 3_566 ?
C20 H20 0.9300 . ?
C21 N4 1.314(5) . ?
C21 N3 1.352(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.351(6) . ?
C22 N4 1.353(5) . ?
C22 H22 0.9300 . ?
C23 N3 1.370(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.373(5) . ?
C24 C26 1.390(5) 3_556 ?
C24 H24 0.9300 . ?
C25 C26 1.377(5) . ?
C25 N3 1.438(5) . ?
C26 C24 1.390(5) 3_556 ?
C26 H26 0.9300 . ?
Co1 O6 2.086(3) . ?
Co1 O5 2.097(2) . ?
Co1 O2 2.105(3) 4_566 ?
Co1 N5 2.145(3) . ?
Co1 N1 2.148(3) . ?
Co1 N4 2.162(3) . ?
O2 Co1 2.105(3) 4_665 ?
O3 H1O 0.841(19) . ?
O6 H1W 0.836(19) . ?
O6 H2W 0.848(19) . ?

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
O3 C1 C6 119.0(3) . . ?
O3 C1 C2 121.3(3) . . ?
C6 C1 C2 119.7(3) . . ?
C1 C2 C3 120.5(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 119.7(3) . . ?
C4 C3 C7 120.9(3) . . ?
C2 C3 C7 119.3(3) . . ?
C3 C4 C5 119.7(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.0(3) . . ?
C6 C5 C8 119.9(3) . . ?
C4 C5 C8 120.1(3) . . ?
C1 C6 C5 120.2(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
O4 C7 O5 126.8(3) . . ?
O4 C7 C3 117.8(3) . . ?
O5 C7 C3 115.4(3) . . ?
O2 C8 O1 126.3(3) . . ?
O2 C8 C5 116.3(3) . . ?
O1 C8 C5 117.4(3) . . ?
C10 C9 N5 110.5(4) . . ?
C10 C9 H9 124.8 . . ?
N5 C9 H9 124.8 . . ?
C9 C10 N6 106.2(4) . . ?
C9 C10 H10 126.9 . . ?
N6 C10 H10 126.9 . . ?
N5 C11 N6 111.8(3) . . ?
N5 C11 H11 124.1 . . ?
N6 C11 H11 124.1 . . ?
C13 C12 C14 119.6(4) . 3_767 ?
C13 C12 H12 120.2 . . ?
C14 C12 H12 120.2 3_767 . ?
C14 C13 C12 120.8(4) . . ?
C14 C13 N6 119.7(3) . . ?
C12 C13 N6 119.4(3) . . ?
C13 C14 C12 119.6(4) . 3_767 ?
C13 C14 H14 120.2 . . ?
C12 C14 H14 120.2 3_767 . ?
N1 C15 N2 112.1(4) . . ?
N1 C15 H15 124.0 . . ?
N2 C15 H15 124.0 . . ?
C17 C16 N1 109.2(4) . . ?
C17 C16 H16 125.4 . . ?
N1 C16 H16 125.4 . . ?
C16 C17 N2 107.0(4) . . ?
C16 C17 H17 126.5 . . ?
N2 C17 H17 126.5 . . ?
C19 C18 C20 118.7(4) . . ?
C19 C18 N2 120.5(4) . . ?
C20 C18 N2 120.7(4) . . ?
C18 C19 C20 120.2(4) . 3_566 ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 3_566 . ?
C18 C20 C19 121.0(4) . 3_566 ?
C18 C20 H20 119.5 . . ?
C19 C20 H20 119.5 3_566 . ?
N4 C21 N3 112.2(4) . . ?
N4 C21 H21 123.9 . . ?
N3 C21 H21 123.9 . . ?
C23 C22 N4 110.1(4) . . ?
C23 C22 H22 124.9 . . ?
N4 C22 H22 124.9 . . ?
C22 C23 N3 106.8(4) . . ?
C22 C23 H23 126.6 . . ?
N3 C23 H23 126.6 . . ?
C25 C24 C26 119.8(4) . 3_556 ?
C25 C24 H24 120.1 . . ?
C26 C24 H24 120.1 3_556 . ?
C24 C25 C26 120.2(4) . . ?
C24 C25 N3 119.8(3) . . ?
C26 C25 N3 120.0(4) . . ?
C25 C26 C24 120.0(4) . 3_556 ?
C25 C26 H26 120.0 . . ?
C24 C26 H26 120.0 3_556 . ?
O6 Co1 O5 86.65(11) . . ?
O6 Co1 O2 93.96(11) . 4_566 ?
O5 Co1 O2 177.65(11) . 4_566 ?
O6 Co1 N5 93.63(13) . . ?
O5 Co1 N5 90.67(12) . . ?
O2 Co1 N5 91.56(11) 4_566 . ?
O6 Co1 N1 170.78(12) . . ?
O5 Co1 N1 85.11(12) . . ?
O2 Co1 N1 94.12(12) 4_566 . ?
N5 Co1 N1 90.59(13) . . ?
O6 Co1 N4 87.96(13) . . ?
O5 Co1 N4 91.42(12) . . ?
O2 Co1 N4 86.34(12) 4_566 . ?
N5 Co1 N4 177.45(12) . . ?
N1 Co1 N4 88.13(13) . . ?
C15 N1 C16 105.4(3) . . ?
C15 N1 Co1 123.4(3) . . ?
C16 N1 Co1 130.1(3) . . ?
C15 N2 C17 106.4(4) . . ?
C15 N2 C18 125.7(4) . . ?
C17 N2 C18 127.8(3) . . ?
C21 N3 C23 105.5(3) . . ?
C21 N3 C25 128.2(3) . . ?
C23 N3 C25 126.2(3) . . ?
C21 N4 C22 105.4(3) . . ?
C21 N4 Co1 129.6(3) . . ?
C22 N4 Co1 124.9(3) . . ?
C11 N5 C9 104.8(3) . . ?
C11 N5 Co1 126.9(3) . . ?
C9 N5 Co1 128.2(3) . . ?
C11 N6 C10 106.7(3) . . ?
C11 N6 C13 126.7(3) . . ?
C10 N6 C13 126.3(3) . . ?
C8 O2 Co1 149.7(3) . 4_665 ?
C1 O3 H1O 104(3) . . ?
C7 O5 Co1 132.2(2) . . ?
Co1 O6 H1W 123(3) . . ?
Co1 O6 H2W 110(3) . . ?
H1W O6 H2W 103(4) . . ?

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
O3 C1 C2 C3 -177.9(4) . . . . ?
C6 C1 C2 C3 2.2(6) . . . . ?
C1 C2 C3 C4 0.6(6) . . . . ?
C1 C2 C3 C7 -178.4(4) . . . . ?
C2 C3 C4 C5 -2.2(6) . . . . ?
C7 C3 C4 C5 176.7(3) . . . . ?
C3 C4 C5 C6 1.2(6) . . . . ?
C3 C4 C5 C8 -177.8(3) . . . . ?
O3 C1 C6 C5 176.8(4) . . . . ?
C2 C1 C6 C5 -3.3(6) . . . . ?
C4 C5 C6 C1 1.6(6) . . . . ?
C8 C5 C6 C1 -179.4(4) . . . . ?
C4 C3 C7 O4 -20.4(6) . . . . ?
C2 C3 C7 O4 158.5(4) . . . . ?
C4 C3 C7 O5 161.1(3) . . . . ?
C2 C3 C7 O5 -20.0(5) . . . . ?
C6 C5 C8 O2 -22.1(6) . . . . ?
C4 C5 C8 O2 156.9(4) . . . . ?
C6 C5 C8 O1 158.6(4) . . . . ?
C4 C5 C8 O1 -22.4(5) . . . . ?
N5 C9 C10 N6 0.6(5) . . . . ?
C14 C12 C13 C14 -0.6(7) 3_767 . . . ?
C14 C12 C13 N6 -178.0(3) 3_767 . . . ?
C12 C13 C14 C12 0.6(7) . . . 3_767 ?
N6 C13 C14 C12 178.0(3) . . . 3_767 ?
N1 C16 C17 N2 -0.7(5) . . . . ?
C20 C18 C19 C20 -3.5(9) . . . 3_566 ?
N2 C18 C19 C20 -178.7(5) . . . 3_566 ?
C19 C18 C20 C19 3.6(9) . . . 3_566 ?
N2 C18 C20 C19 178.7(5) . . . 3_566 ?
N4 C22 C23 N3 -0.5(6) . . . . ?
C26 C24 C25 C26 0.5(7) 3_556 . . . ?
C26 C24 C25 N3 -179.9(3) 3_556 . . . ?
C24 C25 C26 C24 -0.5(7) . . . 3_556 ?
N3 C25 C26 C24 179.9(3) . . . 3_556 ?
N2 C15 N1 C16 -0.4(5) . . . . ?
N2 C15 N1 Co1 168.5(3) . . . . ?
C17 C16 N1 C15 0.7(5) . . . . ?
C17 C16 N1 Co1 -167.2(3) . . . . ?
N1 C15 N2 C17 0.0(5) . . . . ?
N1 C15 N2 C18 -176.3(4) . . . . ?
C16 C17 N2 C15 0.4(5) . . . . ?
C16 C17 N2 C18 176.7(4) . . . . ?
C19 C18 N2 C15 176.2(4) . . . . ?
C20 C18 N2 C15 1.2(6) . . . . ?
C19 C18 N2 C17 0.7(7) . . . . ?
C20 C18 N2 C17 -174.4(5) . . . . ?
N4 C21 N3 C23 0.3(5) . . . . ?
N4 C21 N3 C25 -178.7(3) . . . . ?
C22 C23 N3 C21 0.1(5) . . . . ?
C22 C23 N3 C25 179.2(4) . . . . ?
C24 C25 N3 C21 -11.6(6) . . . . ?
C26 C25 N3 C21 168.0(4) . . . . ?
C24 C25 N3 C23 169.6(4) . . . . ?
C26 C25 N3 C23 -10.8(6) . . . . ?
N3 C21 N4 C22 -0.6(5) . . . . ?
N3 C21 N4 Co1 -177.4(2) . . . . ?
C23 C22 N4 C21 0.7(6) . . . . ?
C23 C22 N4 Co1 177.6(3) . . . . ?
N6 C11 N5 C9 0.5(4) . . . . ?
N6 C11 N5 Co1 -175.3(2) . . . . ?
C10 C9 N5 C11 -0.7(5) . . . . ?
C10 C9 N5 Co1 175.0(3) . . . . ?
N5 C11 N6 C10 -0.2(4) . . . . ?
N5 C11 N6 C13 173.8(3) . . . . ?
C9 C10 N6 C11 -0.3(5) . . . . ?
C9 C10 N6 C13 -174.3(4) . . . . ?
C14 C13 N6 C11 -137.5(4) . . . . ?
C12 C13 N6 C11 39.9(6) . . . . ?
C14 C13 N6 C10 35.4(6) . . . . ?
C12 C13 N6 C10 -147.2(4) . . . . ?
O1 C8 O2 Co1 9.4(8) . . . 4_665 ?
C5 C8 O2 Co1 -169.8(4) . . . 4_665 ?
O4 C7 O5 Co1 -9.8(6) . . . . ?
C3 C7 O5 Co1 168.6(2) . . . . ?

_refine_diff_density_max         0.758
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.094

