# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_FCG-11
_database_code_depnum_ccdc_archive 'CCDC 2515600'
loop_
_audit_author_name
_audit_author_address
'Subhadip Neogi'
;CSIR CSMCRI
India
;
_audit_update_record             
;
2025-12-12 deposited with the CCDC.	2026-03-19 downloaded from the CCDC.
;
_audit_creation_date             2025-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H16 Co N4 O5 S2'
_chemical_formula_sum            'C29 H17 Co N3 O5 S2'
_chemical_formula_weight         610.51
_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'
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'
S S 0.1246 0.1234 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.1806(9)
_cell_length_b                   14.5203(12)
_cell_length_c                   26.415(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.737(4)
_cell_angle_gamma                90
_cell_volume                     3509.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4460
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.48
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_T_max  0.7191
_exptl_absorpt_correction_T_min  0.6275
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1317 before and 0.1109 after correction.
The Ratio of minimum to maximum transmission is 0.8726.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1519
_diffrn_reflns_av_unetI/netI     0.2166
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            128225
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.482
_diffrn_reflns_theta_min         2.631
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.974
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3304
_reflns_number_total             8647
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.0078(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         8647
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1811
_refine_ls_R_factor_gt           0.0562
_refine_ls_restrained_S_all      0.909
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1232
_refine_ls_wR_factor_ref         0.1904
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C18(H18), C20(H20), C21(H21), C24(H24), C25(H25), C28(H28), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Co1 Co 0.84006(6) 1.01672(4) 0.54799(2) 0.0430(2) Uani 1 1 d . . . . .
S1 S 0.18974(15) 0.46816(8) 0.49499(6) 0.0711(4) Uani 1 1 d . . . . .
S2 S 0.51511(17) 0.55869(9) 0.59783(6) 0.0851(5) Uani 1 1 d . . . . .
N1 N 0.7237(4) 0.8888(2) 0.54674(13) 0.0448(9) Uani 1 1 d . . . . .
O2 O 0.6632(4) 1.4012(2) 0.07142(13) 0.0587(9) Uani 1 1 d . . . . .
O3 O 0.7748(3) 1.02983(18) 0.47339(11) 0.0508(8) Uani 1 1 d . . . . .
O4 O 0.8082(4) 1.4651(2) 0.13001(13) 0.0660(9) Uani 1 1 d . . . . .
O5 O 0.9776(3) 1.05637(18) 0.43424(12) 0.0550(8) Uani 1 1 d . . . . .
N0AA N 0.3817(5) 0.6184(2) 0.51219(17) 0.0650(12) Uani 1 1 d . . . . .
N2 N 0.3242(5) 0.4082(2) 0.57996(18) 0.0714(13) Uani 1 1 d . . . . .
N3 N -0.0364(4) 0.1446(2) 0.54885(14) 0.0495(10) Uani 1 1 d . . . . .
C1 C 0.7626(5) 0.8231(3) 0.58023(19) 0.0574(13) Uani 1 1 d . . . . .
H1 H 0.843042 0.832892 0.603392 0.069 Uiso 1 1 calc R . . . .
C2 C 0.6877(5) 0.7410(3) 0.5818(2) 0.0618(13) Uani 1 1 d . . . . .
H2 H 0.718398 0.696411 0.605589 0.074 Uiso 1 1 calc R . . . .
C3 C 0.5690(5) 0.7247(3) 0.54859(19) 0.0531(12) Uani 1 1 d . . . . .
C4 C 0.4844(5) 0.6393(3) 0.5489(2) 0.0591(13) Uani 1 1 d . . . . .
C5 C 0.3249(5) 0.5334(3) 0.5246(2) 0.0621(14) Uani 1 1 d . . . . .
C6 C 0.3820(6) 0.4926(3) 0.5680(2) 0.0666(14) Uani 1 1 d . . . . .
C7 C 0.2167(5) 0.3886(3) 0.5440(2) 0.0601(13) Uani 1 1 d . . . . .
C8 C 0.1302(5) 0.3053(3) 0.54558(19) 0.0515(12) Uani 1 1 d . . . . .
C9 C 0.0077(5) 0.2918(3) 0.5131(2) 0.0607(14) Uani 1 1 d . . . . .
H9 H -0.020267 0.336177 0.488860 0.073 Uiso 1 1 calc R . . . .
C10 C -0.0750(5) 0.2122(3) 0.51624(19) 0.0591(13) Uani 1 1 d . . . . .
H10 H -0.160164 0.205790 0.494884 0.071 Uiso 1 1 calc R . . . .
C11 C 0.0820(6) 0.1576(3) 0.57946(19) 0.0601(13) Uani 1 1 d . . . . .
H11 H 0.110096 0.111164 0.602497 0.072 Uiso 1 1 calc R . . . .
C12 C 0.1676(5) 0.2360(3) 0.57953(19) 0.0621(13) Uani 1 1 d . . . . .
H12 H 0.249749 0.241788 0.602388 0.074 Uiso 1 1 calc R . . . .
C13 C 0.5292(5) 0.7924(3) 0.51384(18) 0.0510(12) Uani 1 1 d . . . . .
H13 H 0.449475 0.783794 0.490227 0.061 Uiso 1 1 calc R . . . .
C14 C 0.6081(5) 0.8732(3) 0.51419(17) 0.0490(11) Uani 1 1 d . . . . .
H14 H 0.579305 0.918720 0.490668 0.059 Uiso 1 1 calc R . . . .
C15 C 0.8398(5) 1.0536(3) 0.43557(18) 0.0489(11) Uani 1 1 d . . . . .
C16 C 0.7505(5) 1.0838(3) 0.38922(18) 0.0544(12) Uani 1 1 d . . . . .
C17 C 0.6001(5) 1.0727(3) 0.38402(18) 0.0559(12) Uani 1 1 d . . . . .
H17 H 0.554251 1.043741 0.409812 0.067 Uiso 1 1 calc R . . . .
C18 C 0.5166(6) 1.1034(3) 0.34143(19) 0.0669(14) Uani 1 1 d . . . . .
H18 H 0.415859 1.094769 0.338543 0.080 Uiso 1 1 calc R . . . .
C19 C 0.5814(7) 1.1456(5) 0.3046(2) 0.099(2) Uani 1 1 d . . . . .
C20 C 0.7326(9) 1.1551(7) 0.3087(3) 0.163(4) Uani 1 1 d . . . . .
H20 H 0.778333 1.183182 0.282604 0.195 Uiso 1 1 calc R . . . .
C21 C 0.8142(7) 1.1239(5) 0.3503(3) 0.119(3) Uani 1 1 d . . . . .
H21 H 0.915357 1.130015 0.352120 0.143 Uiso 1 1 calc R . . . .
O22 O 0.4906(5) 1.1750(4) 0.26334(18) 0.150(2) Uani 1 1 d . . . . .
C23 C 0.5442(7) 1.2347(6) 0.2267(3) 0.111(3) Uani 1 1 d . . . . .
C24 C 0.5280(7) 1.2100(4) 0.1777(3) 0.093(2) Uani 1 1 d . . . . .
H24 H 0.486894 1.153420 0.168155 0.112 Uiso 1 1 calc R . . . .
C25 C 0.5729(6) 1.2693(4) 0.1423(2) 0.0751(16) Uani 1 1 d . . . . .
H25 H 0.556310 1.254703 0.107979 0.090 Uiso 1 1 calc R . . . .
C26 C 0.6420(6) 1.3501(4) 0.15615(19) 0.0640(13) Uani 1 1 d . . . . .
C27 C 0.7074(6) 1.4105(3) 0.1176(2) 0.0579(13) Uani 1 1 d . . . . .
C28 C 0.6544(9) 1.3762(5) 0.2057(3) 0.119(3) Uani 1 1 d . . . . .
H28 H 0.697210 1.432455 0.214866 0.143 Uiso 1 1 calc R . . . .
C29 C 0.6036(10) 1.3195(7) 0.2430(3) 0.149(4) Uani 1 1 d . . . . .
H29 H 0.608802 1.337149 0.276978 0.179 Uiso 1 1 calc 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 N1 2.141(3) . ?
Co1 O2 2.146(3) 4_586 ?
Co1 O3 2.021(3) . ?
Co1 O4 2.226(3) 4_586 ?
Co1 O5 2.005(3) 3_776 ?
Co1 N3 2.175(3) 1_665 ?
Co1 C27 2.519(5) 4_586 ?
S1 C5 1.700(5) . ?
S1 C7 1.738(5) . ?
S2 C4 1.749(5) . ?
S2 C6 1.696(5) . ?
N1 C1 1.330(5) . ?
N1 C14 1.329(5) . ?
O2 C27 1.260(6) . ?
O3 C15 1.254(5) . ?
O4 C27 1.242(6) . ?
O5 C15 1.269(5) . ?
N0AA C4 1.331(6) . ?
N0AA C5 1.389(5) . ?
N2 C6 1.382(5) . ?
N2 C7 1.342(6) . ?
N3 C10 1.334(5) . ?
N3 C11 1.314(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.380(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.361(6) . ?
C3 C4 1.464(6) . ?
C3 C13 1.374(6) . ?
C5 C6 1.356(7) . ?
C7 C8 1.449(6) . ?
C8 C9 1.371(6) . ?
C8 C12 1.373(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.389(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.384(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.379(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.482(6) . ?
C16 C17 1.386(6) . ?
C16 C21 1.356(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.383(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.331(7) . ?
C19 C20 1.390(9) . ?
C19 O22 1.383(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.356(9) . ?
C21 H21 0.9300 . ?
O22 C23 1.417(7) . ?
C23 C24 1.339(9) . ?
C23 C29 1.400(10) . ?
C24 H24 0.9300 . ?
C24 C25 1.362(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.370(7) . ?
C26 C27 1.506(7) . ?
C26 C28 1.359(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.393(8) . ?
C29 H29 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
N1 Co1 O2 95.59(12) . 4_586 ?
N1 Co1 O4 90.72(13) . 4_586 ?
N1 Co1 N3 178.45(14) . 1_665 ?
N1 Co1 C27 96.00(14) . 4_586 ?
O2 Co1 O4 59.33(13) 4_586 4_586 ?
O2 Co1 N3 85.95(12) 4_586 1_665 ?
O2 Co1 C27 29.99(14) 4_586 4_586 ?
O3 Co1 N1 87.66(12) . . ?
O3 Co1 O2 93.35(13) . 4_586 ?
O3 Co1 O4 152.34(13) . 4_586 ?
O3 Co1 N3 92.42(13) . 1_665 ?
O3 Co1 C27 123.33(16) . 4_586 ?
O4 Co1 C27 29.52(14) 4_586 4_586 ?
O5 Co1 N1 87.16(12) 3_776 . ?
O5 Co1 O2 149.71(13) 3_776 4_586 ?
O5 Co1 O3 116.92(13) 3_776 . ?
O5 Co1 O4 90.54(13) 3_776 4_586 ?
O5 Co1 N3 91.43(13) 3_776 1_665 ?
O5 Co1 C27 119.73(17) 3_776 4_586 ?
N3 Co1 O4 89.92(13) 1_665 4_586 ?
N3 Co1 C27 85.25(14) 1_665 4_586 ?
C5 S1 C7 88.5(2) . . ?
C6 S2 C4 88.2(2) . . ?
C1 N1 Co1 120.4(3) . . ?
C14 N1 Co1 121.9(3) . . ?
C14 N1 C1 117.7(4) . . ?
C27 O2 Co1 91.7(3) . 4_585 ?
C15 O3 Co1 132.9(3) . . ?
C27 O4 Co1 88.5(3) . 4_585 ?
C15 O5 Co1 142.4(3) . 3_776 ?
C4 N0AA C5 106.7(4) . . ?
C7 N2 C6 107.4(4) . . ?
C10 N3 Co1 120.7(3) . 1_445 ?
C11 N3 Co1 122.2(3) . 1_445 ?
C11 N3 C10 117.0(4) . . ?
N1 C1 H1 118.9 . . ?
N1 C1 C2 122.2(5) . . ?
C2 C1 H1 118.9 . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.4(5) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 C4 122.7(4) . . ?
C2 C3 C13 117.4(4) . . ?
C13 C3 C4 119.9(4) . . ?
N0AA C4 S2 116.6(3) . . ?
N0AA C4 C3 122.2(4) . . ?
C3 C4 S2 121.2(4) . . ?
N0AA C5 S1 131.3(4) . . ?
C6 C5 S1 111.2(3) . . ?
C6 C5 N0AA 117.5(5) . . ?
N2 C6 S2 132.1(4) . . ?
C5 C6 S2 111.0(3) . . ?
C5 C6 N2 116.9(5) . . ?
N2 C7 S1 115.9(3) . . ?
N2 C7 C8 122.0(4) . . ?
C8 C7 S1 122.1(4) . . ?
C9 C8 C7 121.7(4) . . ?
C9 C8 C12 116.9(4) . . ?
C12 C8 C7 121.4(5) . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.4(4) . . ?
C10 C9 H9 119.8 . . ?
N3 C10 C9 122.2(4) . . ?
N3 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
N3 C11 H11 118.0 . . ?
N3 C11 C12 124.0(5) . . ?
C12 C11 H11 118.0 . . ?
C8 C12 C11 119.4(5) . . ?
C8 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C3 C13 H13 120.2 . . ?
C3 C13 C14 119.6(4) . . ?
C14 C13 H13 120.2 . . ?
N1 C14 C13 122.7(4) . . ?
N1 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
O3 C15 O5 124.9(4) . . ?
O3 C15 C16 118.2(4) . . ?
O5 C15 C16 116.9(4) . . ?
C17 C16 C15 121.7(4) . . ?
C21 C16 C15 120.6(5) . . ?
C21 C16 C17 117.6(5) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.6(4) . . ?
C18 C17 H17 119.2 . . ?
C17 C18 H18 120.3 . . ?
C19 C18 C17 119.5(5) . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C20 119.5(6) . . ?
C18 C19 O22 116.2(5) . . ?
O22 C19 C20 124.3(5) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.8(6) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 121.0(6) . . ?
C20 C21 H21 119.5 . . ?
C19 O22 C23 120.4(5) . . ?
C24 C23 O22 118.5(7) . . ?
C24 C23 C29 122.9(6) . . ?
C29 C23 O22 118.5(7) . . ?
C23 C24 H24 120.7 . . ?
C23 C24 C25 118.6(6) . . ?
C25 C24 H24 120.7 . . ?
C24 C25 H25 119.4 . . ?
C24 C25 C26 121.2(6) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 C27 121.2(5) . . ?
C28 C26 C25 119.8(5) . . ?
C28 C26 C27 119.0(5) . . ?
O2 C27 Co1 58.4(2) . 4_585 ?
O2 C27 C26 118.6(5) . . ?
O4 C27 Co1 62.0(3) . 4_585 ?
O4 C27 O2 119.8(4) . . ?
O4 C27 C26 121.5(5) . . ?
C26 C27 Co1 169.0(3) . 4_585 ?
C26 C28 H28 119.6 . . ?
C26 C28 C29 120.7(7) . . ?
C29 C28 H28 119.6 . . ?
C23 C29 H29 121.7 . . ?
C28 C29 C23 116.5(7) . . ?
C28 C29 H29 121.7 . . ?

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
Co1 N1 C1 C2 177.9(4) . . . . ?
Co1 N1 C14 C13 -178.0(3) . . . . ?
Co1 O2 C27 O4 8.6(5) 4_585 . . . ?
Co1 O2 C27 C26 -167.8(4) 4_585 . . . ?
Co1 O3 C15 O5 16.8(6) . . . . ?
Co1 O3 C15 C16 -161.1(3) . . . . ?
Co1 O4 C27 O2 -8.3(4) 4_585 . . . ?
Co1 O4 C27 C26 168.0(4) 4_585 . . . ?
Co1 O5 C15 O3 46.9(7) 3_776 . . . ?
Co1 O5 C15 C16 -135.1(4) 3_776 . . . ?
Co1 N3 C10 C9 -175.0(4) 1_445 . . . ?
Co1 N3 C11 C12 176.8(4) 1_445 . . . ?
S1 C5 C6 S2 -179.2(3) . . . . ?
S1 C5 C6 N2 0.5(7) . . . . ?
S1 C7 C8 C9 -10.6(7) . . . . ?
S1 C7 C8 C12 169.1(4) . . . . ?
N1 C1 C2 C3 -0.4(8) . . . . ?
O3 C15 C16 C17 -10.3(6) . . . . ?
O3 C15 C16 C21 169.5(5) . . . . ?
O5 C15 C16 C17 171.6(4) . . . . ?
O5 C15 C16 C21 -8.6(7) . . . . ?
N0AA C5 C6 S2 0.1(6) . . . . ?
N0AA C5 C6 N2 179.8(4) . . . . ?
N2 C7 C8 C9 170.5(5) . . . . ?
N2 C7 C8 C12 -9.8(7) . . . . ?
N3 C11 C12 C8 -0.8(8) . . . . ?
C1 N1 C14 C13 -0.3(6) . . . . ?
C1 C2 C3 C4 -179.3(4) . . . . ?
C1 C2 C3 C13 0.7(7) . . . . ?
C2 C3 C4 S2 9.1(7) . . . . ?
C2 C3 C4 N0AA -170.4(5) . . . . ?
C2 C3 C13 C14 -0.8(7) . . . . ?
C3 C13 C14 N1 0.7(7) . . . . ?
C4 S2 C6 N2 -179.6(5) . . . . ?
C4 S2 C6 C5 0.1(4) . . . . ?
C4 N0AA C5 S1 178.8(4) . . . . ?
C4 N0AA C5 C6 -0.3(6) . . . . ?
C4 C3 C13 C14 179.1(4) . . . . ?
C5 S1 C7 N2 -1.9(4) . . . . ?
C5 S1 C7 C8 179.2(4) . . . . ?
C5 N0AA C4 S2 0.4(5) . . . . ?
C5 N0AA C4 C3 179.9(4) . . . . ?
C6 S2 C4 N0AA -0.3(4) . . . . ?
C6 S2 C4 C3 -179.8(4) . . . . ?
C6 N2 C7 S1 2.4(5) . . . . ?
C6 N2 C7 C8 -178.6(4) . . . . ?
C7 S1 C5 N0AA -178.4(5) . . . . ?
C7 S1 C5 C6 0.7(4) . . . . ?
C7 N2 C6 S2 177.8(5) . . . . ?
C7 N2 C6 C5 -1.9(7) . . . . ?
C7 C8 C9 C10 -178.5(4) . . . . ?
C7 C8 C12 C11 -179.7(4) . . . . ?
C8 C9 C10 N3 -2.9(8) . . . . ?
C9 C8 C12 C11 0.0(7) . . . . ?
C10 N3 C11 C12 -0.3(7) . . . . ?
C11 N3 C10 C9 2.1(7) . . . . ?
C12 C8 C9 C10 1.8(7) . . . . ?
C13 C3 C4 S2 -170.8(4) . . . . ?
C13 C3 C4 N0AA 9.7(7) . . . . ?
C14 N1 C1 C2 0.2(7) . . . . ?
C15 C16 C17 C18 178.0(4) . . . . ?
C15 C16 C21 C20 -177.2(7) . . . . ?
C16 C17 C18 C19 -0.6(8) . . . . ?
C17 C16 C21 C20 2.6(11) . . . . ?
C17 C18 C19 C20 2.3(11) . . . . ?
C17 C18 C19 O22 -179.6(6) . . . . ?
C18 C19 C20 C21 -1.6(14) . . . . ?
C18 C19 O22 C23 168.5(7) . . . . ?
C19 C20 C21 C16 -0.9(15) . . . . ?
C19 O22 C23 C24 126.2(8) . . . . ?
C19 O22 C23 C29 -57.6(11) . . . . ?
C20 C19 O22 C23 -13.4(13) . . . . ?
C21 C16 C17 C18 -1.8(8) . . . . ?
O22 C19 C20 C21 -179.5(8) . . . . ?
O22 C23 C24 C25 176.8(6) . . . . ?
O22 C23 C29 C28 -179.8(7) . . . . ?
C23 C24 C25 C26 4.2(10) . . . . ?
C24 C23 C29 C28 -3.8(13) . . . . ?
C24 C25 C26 C27 172.7(5) . . . . ?
C24 C25 C26 C28 -6.2(9) . . . . ?
C25 C26 C27 Co1 -50(2) . . . 4_585 ?
C25 C26 C27 O2 20.4(7) . . . . ?
C25 C26 C27 O4 -155.9(5) . . . . ?
C25 C26 C28 C29 3.0(11) . . . . ?
C26 C28 C29 C23 1.8(12) . . . . ?
C27 C26 C28 C29 -175.9(7) . . . . ?
C28 C26 C27 Co1 128(2) . . . 4_585 ?
C28 C26 C27 O2 -160.7(6) . . . . ?
C28 C26 C27 O4 23.0(8) . . . . ?
C29 C23 C24 C25 0.9(12) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.054 -0.916 0.250 656.6 134.1 ?
2 -0.792 0.311 0.750 656.6 133.8 ?


_olex2_submission_special_instructions 'No special instructions were received'
