# Electronic Supplementary Material (ESI) for Sustainable Energy & Fuels.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_blue_24_03_0m
_database_code_depnum_ccdc_archive 'CCDC 2326147'
loop_
_audit_author_name
_audit_author_address
'SAHIL THAKUR'
;panjab university
India
;
_audit_update_record             
;
2024-01-17 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT084_blue_24_03_0m       
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.36 Report
RESPONSE: The wR2 value is slightly higher due to the poor crystal data, 
attributed to the highly distorted DMF molecules.
;
_vrf_PLAT976_blue_24_03_0m       
;
PROBLEM: Check Calcd Resid. Dens.  0.52Ang From C17     .      -1.55 eA-3  
RESPONSE: The residual density is due to the highly distorted DMF molecule. 
;
# end Validation Reply Form
_audit_creation_date             2023-12-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H19 Co1.5 N2 O8'
_chemical_formula_sum            'C18 H19 Co1.50 N2 O8'
_chemical_formula_weight         479.75
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   14.7519(12)
_cell_length_b                   9.6628(7)
_cell_length_c                   15.4954(12)
_cell_angle_alpha                90
_cell_angle_beta                 106.904(3)
_cell_angle_gamma                90
_cell_volume                     2113.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1720
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.015
_cell_measurement_theta_min      2.695
_shelx_estimated_absorpt_T_max   0.7456
_shelx_estimated_absorpt_T_min   0.6491
_exptl_absorpt_coefficient_mu    1.237
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6491
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0918 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.8706.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             982
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7456s
_exptl_transmission_factor_min   0.6491
_diffrn_reflns_av_R_equivalents  0.0810
_diffrn_reflns_av_unetI/netI     0.0873
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.930
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13904
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.930
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.032
_diffrn_reflns_theta_min         2.694
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2858
_reflns_number_total             4752
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.039
_refine_diff_density_min         -1.642
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4752
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.1065
_refine_ls_restrained_S_all      1.215
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3073
_refine_ls_wR_factor_ref         0.3572
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C17-N2
 1.8 with sigma of 0.005
 C17-C18
 2.1 with sigma of 0.005
 C17-C16
 2.1 with sigma of 0.005
 H17-H18C
 2 with sigma of 0.005
3. Rigid bond restraints
 O5, C13, N1, C14, C15
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O6, C17, N2, C16, C18
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
O5 \\sim C13 \\sim N1 \\sim C14 \\sim C15: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2A
O6 \\sim C17 \\sim N2 \\sim C18 \\sim C16: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2A
5.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), C8(H8), C11(H11), C7(H7), C10(H10), C17(H17), C13(H13)
5.b X=CH2 refined with riding coordinates:
 C15(H15A,H15B)
5.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Co2 Co 0.000000 0.500000 0.500000 0.0366(4) Uani 1 2 d S . P . .
Co1 Co 0.14846(7) 0.43267(11) 0.36942(7) 0.0495(4) Uani 1 1 d . . . . .
O2 O 0.1082(3) 0.6371(5) 0.5131(4) 0.0521(13) Uani 1 1 d . . . . .
O3 O 0.0864(3) 0.3457(5) 0.4633(4) 0.0486(12) Uani 1 1 d . . . . .
O1 O 0.2224(4) 0.5793(6) 0.4506(4) 0.0609(15) Uani 1 1 d . . . . .
O8 O 0.4367(4) 0.9526(7) 0.8666(4) 0.0596(15) Uani 1 1 d . . . . .
O7 O 0.5413(4) 0.9585(7) 0.7887(4) 0.0597(15) Uani 1 1 d . . . . .
O4 O 0.0722(6) 0.2268(6) 0.3409(5) 0.084(2) Uani 1 1 d . . . . .
N2 N 0.2971(8) 0.3860(13) 0.2574(7) 0.128(3) Uani 1 1 d D U . . .
C1 C 0.1911(6) 0.6415(8) 0.5098(5) 0.0511(18) Uani 1 1 d . . . . .
C12 C 0.4622(6) 0.9283(8) 0.7989(5) 0.0510(18) Uani 1 1 d . . . . .
C3 C 0.0283(5) 0.1143(7) 0.4599(5) 0.0473(17) Uani 1 1 d . . . . .
C6 C 0.2624(5) 0.7186(8) 0.5834(5) 0.0518(18) Uani 1 1 d . . . . .
C5 C -0.0161(6) 0.0027(8) 0.4074(5) 0.0550(19) Uani 1 1 d . . . . .
H5 H -0.027171 0.004944 0.345222 0.066 Uiso 1 1 calc R U . . .
C9 C 0.3935(5) 0.8545(9) 0.7230(5) 0.0527(18) Uani 1 1 d . . . . .
C2 C 0.0605(6) 0.2345(8) 0.4175(6) 0.0551(19) Uani 1 1 d . . . . .
C4 C 0.0439(6) 0.1117(7) 0.5523(6) 0.0531(19) Uani 1 1 d . . . . .
H4 H 0.073027 0.186320 0.587410 0.064 Uiso 1 1 calc R U . . .
C8 C 0.4210(6) 0.7988(11) 0.6533(6) 0.071(3) Uani 1 1 d . . . . .
H8 H 0.483470 0.807860 0.652487 0.085 Uiso 1 1 calc R U . . .
O5 O 0.2707(7) 0.2981(13) 0.4378(8) 0.147(3) Uani 1 1 d . U . . .
C11 C 0.2356(6) 0.7734(12) 0.6538(6) 0.072(3) Uani 1 1 d . . . . .
H11 H 0.173034 0.765680 0.654775 0.086 Uiso 1 1 calc R U . . .
C7 C 0.3557(6) 0.7282(12) 0.5833(6) 0.072(3) Uani 1 1 d . . . . .
H7 H 0.375040 0.688151 0.537032 0.086 Uiso 1 1 calc R U . . .
C10 C 0.3008(6) 0.8395(11) 0.7228(6) 0.068(2) Uani 1 1 d . . . . .
H10 H 0.281838 0.874934 0.770669 0.081 Uiso 1 1 calc R U . . .
O6 O 0.2088(7) 0.4223(13) 0.2690(8) 0.136(3) Uani 1 1 d . U . . .
C17 C 0.2345(9) 0.5455(15) 0.2240(9) 0.145(3) Uani 1 1 d D U . . .
H17 H 0.225489 0.633691 0.198968 0.174 Uiso 1 1 calc DR U . . .
C13 C 0.3071(13) 0.308(2) 0.5256(13) 0.161(4) Uani 1 1 d . U . . .
H13 H 0.277257 0.361719 0.559034 0.193 Uiso 1 1 calc R U . . .
N1 N 0.3793(12) 0.247(2) 0.5630(12) 0.173(4) Uani 1 1 d . U . . .
C14 C 0.3888(16) 0.271(3) 0.6645(14) 0.197(5) Uani 1 1 d . U . . .
H14A H 0.407086 0.364999 0.680305 0.296 Uiso 1 1 calc R U . . .
H14B H 0.435977 0.209570 0.700491 0.296 Uiso 1 1 calc R U . . .
H14C H 0.329020 0.252719 0.675322 0.296 Uiso 1 1 calc R U . . .
C15 C 0.4292(14) 0.185(3) 0.5496(16) 0.200(5) Uani 1 1 d . U . . .
H15A H 0.424353 0.160308 0.490486 0.240 Uiso 1 1 calc R U . . .
H15B H 0.479787 0.153348 0.596594 0.240 Uiso 1 1 calc R U . . .
C18 C 0.2934(12) 0.4297(19) 0.1396(10) 0.156(4) Uani 1 1 d D U . . .
H18A H 0.232901 0.403967 0.099495 0.235 Uiso 1 1 calc R U . . .
H18B H 0.342552 0.380201 0.123529 0.235 Uiso 1 1 calc R U . . .
H18C H 0.302807 0.527367 0.134949 0.235 Uiso 1 1 calc DR U . . .
C16 C 0.3747(9) 0.538(2) 0.3062(12) 0.162(4) Uani 1 1 d D U . . .
H16A H 0.374373 0.602325 0.259059 0.244 Uiso 1 1 calc R U . . .
H16B H 0.438268 0.506125 0.333749 0.244 Uiso 1 1 calc R U . . .
H16C H 0.351179 0.582193 0.350778 0.244 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
Co2 O2 2.039(5) . ?
Co2 O2 2.039(5) 3_566 ?
Co2 O3 2.143(5) . ?
Co2 O3 2.143(5) 3_566 ?
Co2 O8 2.057(5) 4_575 ?
Co2 O8 2.057(5) 2_546 ?
Co1 O3 2.106(5) . ?
Co1 O1 1.995(6) . ?
Co1 O7 2.005(6) 4_575 ?
Co1 O4 2.264(6) . ?
Co1 O5 2.226(10) . ?
Co1 O6 2.007(9) . ?
O2 C1 1.239(9) . ?
O3 C2 1.282(9) . ?
O1 C1 1.289(10) . ?
O8 C12 1.235(10) . ?
O7 C12 1.257(10) . ?
O4 C2 1.251(10) . ?
N2 O6 1.410(12) . ?
N2 C17 1.793(5) . ?
N2 C18 1.859(18) . ?
N2 C16 1.88(2) . ?
C1 C6 1.505(10) . ?
C12 C9 1.492(11) . ?
C3 C5 1.394(11) . ?
C3 C2 1.480(11) . ?
C3 C4 1.382(11) . ?
C6 C11 1.370(11) . ?
C6 C7 1.380(11) . ?
C5 H5 0.9300 . ?
C5 C4 1.389(11) 3_556 ?
C9 C8 1.369(11) . ?
C9 C10 1.375(11) . ?
C4 H4 0.9300 . ?
C8 H8 0.9300 . ?
C8 C7 1.401(12) . ?
O5 C13 1.31(2) . ?
C11 H11 0.9300 . ?
C11 C10 1.371(11) . ?
C7 H7 0.9300 . ?
C10 H10 0.9300 . ?
O6 C17 1.483(18) . ?
C17 H17 0.9300 . ?
C13 H13 0.9300 . ?
C13 N1 1.21(2) . ?
N1 C14 1.56(3) . ?
N1 C15 1.02(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9300 . ?
C15 H15B 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Co2 O2 180.0 . 3_566 ?
O2 Co2 O3 88.25(19) . . ?
O2 Co2 O3 91.75(19) . 3_566 ?
O2 Co2 O3 91.75(19) 3_566 . ?
O2 Co2 O3 88.25(19) 3_566 3_566 ?
O2 Co2 O8 93.9(2) . 4_575 ?
O2 Co2 O8 93.9(2) 3_566 2_546 ?
O2 Co2 O8 86.1(2) 3_566 4_575 ?
O2 Co2 O8 86.1(2) . 2_546 ?
O3 Co2 O3 180.0(2) . 3_566 ?
O8 Co2 O3 88.9(2) 4_575 3_566 ?
O8 Co2 O3 91.1(2) 2_546 3_566 ?
O8 Co2 O3 91.1(2) 4_575 . ?
O8 Co2 O3 88.9(2) 2_546 . ?
O8 Co2 O8 180.0 4_575 2_546 ?
O3 Co1 O4 59.6(2) . . ?
O3 Co1 O5 83.8(3) . . ?
O1 Co1 O3 96.6(2) . . ?
O1 Co1 O7 102.0(3) . 4_575 ?
O1 Co1 O4 153.7(3) . . ?
O1 Co1 O5 84.1(4) . . ?
O1 Co1 O6 103.9(4) . . ?
O7 Co1 O3 102.6(2) 4_575 . ?
O7 Co1 O4 94.7(3) 4_575 . ?
O7 Co1 O5 170.5(4) 4_575 . ?
O7 Co1 O6 89.4(4) 4_575 . ?
O5 Co1 O4 82.4(4) . . ?
O6 Co1 O3 153.6(4) . . ?
O6 Co1 O4 96.4(4) . . ?
O6 Co1 O5 81.9(5) . . ?
C1 O2 Co2 140.5(5) . . ?
Co1 O3 Co2 108.5(2) . . ?
C2 O3 Co2 128.7(5) . . ?
C2 O3 Co1 94.1(5) . . ?
C1 O1 Co1 122.5(5) . . ?
C12 O8 Co2 137.2(5) . 2_556 ?
C12 O7 Co1 129.5(5) . 4_676 ?
C2 O4 Co1 87.7(5) . . ?
O6 N2 C17 53.6(8) . . ?
O6 N2 C18 107.7(10) . . ?
O6 N2 C16 103.4(10) . . ?
C17 N2 C18 69.9(5) . . ?
C17 N2 C16 69.4(5) . . ?
C18 N2 C16 93.4(8) . . ?
O2 C1 O1 125.1(7) . . ?
O2 C1 C6 117.8(7) . . ?
O1 C1 C6 117.1(7) . . ?
O8 C12 O7 125.9(8) . . ?
O8 C12 C9 117.1(7) . . ?
O7 C12 C9 117.0(7) . . ?
C5 C3 C2 120.3(7) . . ?
C4 C3 C5 119.9(7) . . ?
C4 C3 C2 119.7(7) . . ?
C11 C6 C1 119.7(7) . . ?
C11 C6 C7 119.6(7) . . ?
C7 C6 C1 120.6(8) . . ?
C3 C5 H5 119.9 . . ?
C4 C5 C3 120.2(7) 3_556 . ?
C4 C5 H5 119.9 3_556 . ?
C8 C9 C12 121.4(7) . . ?
C8 C9 C10 118.6(7) . . ?
C10 C9 C12 119.9(7) . . ?
O3 C2 C3 119.6(7) . . ?
O4 C2 O3 118.3(7) . . ?
O4 C2 C3 121.7(7) . . ?
C3 C4 C5 119.9(7) . 3_556 ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 3_556 . ?
C9 C8 H8 119.7 . . ?
C9 C8 C7 120.5(8) . . ?
C7 C8 H8 119.7 . . ?
C13 O5 Co1 118.8(12) . . ?
C6 C11 H11 119.9 . . ?
C10 C11 C6 120.1(8) . . ?
C10 C11 H11 119.9 . . ?
C6 C7 C8 119.6(8) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.5(8) . . ?
C11 C10 H10 119.2 . . ?
N2 O6 Co1 138.2(9) . . ?
N2 O6 C17 76.6(6) . . ?
C17 O6 Co1 123.8(8) . . ?
N2 C17 H17 155.1 . . ?
O6 C17 N2 49.9(6) . . ?
O6 C17 H17 155.1 . . ?
O5 C13 H13 120.0 . . ?
N1 C13 O5 120.0(19) . . ?
N1 C13 H13 120.0 . . ?
C13 N1 C14 102.7(18) . . ?
C15 N1 C13 141(3) . . ?
C15 N1 C14 116(2) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 120.0 . . ?
N1 C15 H15B 120.0 . . ?
H15A C15 H15B 120.0 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
Co2 O2 C1 O1 42.3(13) . . . . ?
Co2 O2 C1 C6 -134.1(7) . . . . ?
Co2 O3 C2 O4 111.7(8) . . . . ?
Co2 O3 C2 C3 -75.2(9) . . . . ?
Co2 O8 C12 O7 -18.4(14) 2_556 . . . ?
Co2 O8 C12 C9 160.6(6) 2_556 . . . ?
Co1 O3 C2 O4 -6.0(8) . . . . ?
Co1 O3 C2 C3 167.1(6) . . . . ?
Co1 O1 C1 O2 -13.4(11) . . . . ?
Co1 O1 C1 C6 163.0(5) . . . . ?
Co1 O7 C12 O8 -5.7(13) 4_676 . . . ?
Co1 O7 C12 C9 175.3(5) 4_676 . . . ?
Co1 O4 C2 O3 5.6(8) . . . . ?
Co1 O4 C2 C3 -167.4(7) . . . . ?
Co1 O5 C13 N1 -172.1(18) . . . . ?
Co1 O6 C17 N2 139.7(12) . . . . ?
O2 C1 C6 C11 4.1(12) . . . . ?
O2 C1 C6 C7 -179.5(8) . . . . ?
O1 C1 C6 C11 -172.6(8) . . . . ?
O1 C1 C6 C7 3.8(12) . . . . ?
O8 C12 C9 C8 -166.9(9) . . . . ?
O8 C12 C9 C10 12.1(12) . . . . ?
O7 C12 C9 C8 12.2(12) . . . . ?
O7 C12 C9 C10 -168.9(8) . . . . ?
C1 C6 C11 C10 177.7(9) . . . . ?
C1 C6 C7 C8 -179.0(9) . . . . ?
C12 C9 C8 C7 179.1(9) . . . . ?
C12 C9 C10 C11 179.4(9) . . . . ?
C6 C11 C10 C9 1.0(17) . . . . ?
C5 C3 C2 O3 168.2(7) . . . . ?
C5 C3 C2 O4 -18.9(12) . . . . ?
C5 C3 C4 C5 0.6(13) . . . 3_556 ?
C9 C8 C7 C6 1.9(17) . . . . ?
C2 C3 C5 C4 178.2(7) . . . 3_556 ?
C2 C3 C4 C5 -178.2(7) . . . 3_556 ?
C4 C3 C5 C4 -0.6(13) . . . 3_556 ?
C4 C3 C2 O3 -13.0(11) . . . . ?
C4 C3 C2 O4 159.9(8) . . . . ?
C8 C9 C10 C11 -1.6(16) . . . . ?
O5 C13 N1 C14 -173(2) . . . . ?
O5 C13 N1 C15 2(6) . . . . ?
C11 C6 C7 C8 -2.6(16) . . . . ?
C7 C6 C11 C10 1.2(16) . . . . ?
C10 C9 C8 C7 0.2(16) . . . . ?
C17 N2 O6 Co1 -126.2(14) . . . . ?
C18 N2 O6 Co1 -173.0(11) . . . . ?
C18 N2 O6 C17 -46.8(9) . . . . ?
C18 N2 C17 O6 132.3(11) . . . . ?
C16 N2 O6 Co1 -74.9(14) . . . . ?
C16 N2 O6 C17 51.2(8) . . . . ?
C16 N2 C17 O6 -125.9(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
