# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_exp_13094
_audit_block_doi                 10.5517/ccdc.csd.cc2cpw76
_database_code_depnum_ccdc_archive 'CCDC 2195768'
loop_
_citation_id
_citation_doi
_citation_year
1 'DOI: 10.1039/D2TC03973' 2023
loop_
_audit_author_name
_audit_author_address
'Suna Wang'
;Liaocheng University
China
;
_audit_update_record             
;
2023-01-10 deposited with the CCDC.	2023-01-17 downloaded from the CCDC.
;
_audit_creation_date             2022-11-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H29 Co N10 O6'
_chemical_formula_sum            'C30 H29 Co N10 O6'
_chemical_formula_weight         684.56
_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 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7536(17)
_cell_length_b                   11.7485(20)
_cell_length_c                   12.140(2)
_cell_angle_alpha                80.583(14)
_cell_angle_beta                 79.812(13)
_cell_angle_gamma                79.016(14)
_cell_volume                     1468.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2776
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.1280
_cell_measurement_theta_min      3.7430
_shelx_estimated_absorpt_T_max   0.602
_shelx_estimated_absorpt_T_min   0.578
_exptl_absorpt_coefficient_mu    5.131
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9514
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.232
_diffrn_reflns_theta_max         67.232
_diffrn_reflns_theta_min         3.733
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4124
_reflns_number_total             5248
_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       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5248
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0520
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0714P)²+0.3259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1430
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Riding coordinates:
 O6(H6A,H6C)
1.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C22(H22A,H22B), C25(H25A,H25B)
1.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14),
 C23(H23), C24(H24), C26(H26), C27(H27)
1.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.000000 0.500000 0.500000 0.0278(2) Uani 1 2 d S . P . .
Co2 Co 0.000000 0.000000 1.000000 0.0286(2) Uani 1 2 d S . P . .
N1 N 0.6450(2) 0.0442(2) 0.5707(2) 0.0314(7) Uani 1 1 d . . . . .
H1 H 0.673585 -0.025991 0.598794 0.038 Uiso 1 1 calc R U . . .
N2 N 0.1243(3) 0.6027(2) 0.3890(2) 0.0339(7) Uani 1 1 d . . . . .
N3 N 0.2055(3) 0.7132(3) 0.2338(3) 0.0429(8) Uani 1 1 d . . . . .
N4 N 0.2919(3) 0.6769(3) 0.3064(2) 0.0350(7) Uani 1 1 d . . . . .
N5 N 0.9655(3) 0.4312(3) 0.3529(3) 0.0376(7) Uani 1 1 d . . . . .
N6 N 0.9657(3) 0.3075(3) 0.2297(3) 0.0494(9) Uani 1 1 d . . . . .
N7 N 0.8593(3) 0.3895(3) 0.2308(3) 0.0412(7) Uani 1 1 d . . . . .
N8 N 0.8815(3) 0.9286(3) -0.0863(2) 0.0342(7) Uani 1 1 d . . . . .
N9 N 0.7677(3) 0.9013(3) -0.2157(3) 0.0409(8) Uani 1 1 d . . . . .
N10 N 0.7446(3) 0.8278(3) -0.1183(2) 0.0352(7) Uani 1 1 d . . . . .
O1 O 0.1224(2) 0.0411(2) 0.84913(19) 0.0359(6) Uani 1 1 d . . . . .
O2 O 0.2906(3) -0.1026(3) 0.8595(2) 0.0519(8) Uani 1 1 d . . . . .
O3 O 0.1450(2) 0.3666(2) 0.5389(2) 0.0407(6) Uani 1 1 d . . . . .
O4 O 0.2949(3) 0.3373(3) 0.3880(2) 0.0549(8) Uani 1 1 d . . . . .
O5 O 0.7066(2) 0.2061(2) 0.4604(2) 0.0470(7) Uani 1 1 d . . . . .
O6 O 0.1163(2) -0.1680(2) 1.0231(2) 0.0394(6) Uani 1 1 d . . . . .
H6A H 0.085708 -0.206810 1.083905 0.059 Uiso 1 1 d R U . . .
H6C H 0.192088 -0.159760 1.027125 0.059 Uiso 1 1 d R U . . .
C1 C 0.2479(3) 0.3159(3) 0.4890(3) 0.0324(8) Uani 1 1 d . . . . .
C2 C 0.3177(3) 0.2152(3) 0.5616(3) 0.0286(7) Uani 1 1 d . . . . .
C3 C 0.2518(3) 0.1591(3) 0.6580(3) 0.0315(8) Uani 1 1 d . . . . .
H3 H 0.166638 0.188850 0.682421 0.038 Uiso 1 1 calc R U . . .
C4 C 0.3119(3) 0.0600(3) 0.7175(3) 0.0286(7) Uani 1 1 d . . . . .
C5 C 0.4424(3) 0.0215(3) 0.6863(3) 0.0305(7) Uani 1 1 d . . . . .
H5 H 0.483751 -0.044424 0.727190 0.037 Uiso 1 1 calc R U . . .
C6 C 0.5111(3) 0.0815(3) 0.5939(3) 0.0278(7) Uani 1 1 d . . . . .
C7 C 0.4466(3) 0.1757(3) 0.5284(3) 0.0272(7) Uani 1 1 d . . . . .
H7 H 0.490091 0.211649 0.462827 0.033 Uiso 1 1 calc R U . . .
C8 C 0.7337(3) 0.1073(3) 0.5086(3) 0.0303(7) Uani 1 1 d . . . . .
C9 C 0.8702(3) 0.0480(3) 0.5052(3) 0.0278(7) Uani 1 1 d . . . . .
C10 C 0.9632(3) 0.1195(3) 0.4914(3) 0.0353(8) Uani 1 1 d . . . . .
H10 H 0.938760 0.200228 0.486276 0.042 Uiso 1 1 calc R U . . .
C11 C 0.9090(3) -0.0710(3) 0.5147(3) 0.0353(8) Uani 1 1 d . . . . .
H11 H 0.847917 -0.119752 0.525416 0.042 Uiso 1 1 calc R U . . .
C12 C 0.2362(3) -0.0063(3) 0.8166(3) 0.0326(8) Uani 1 1 d . . . . .
C13 C 0.2403(3) 0.6130(3) 0.3972(3) 0.0382(9) Uani 1 1 d . . . . .
H13 H 0.281840 0.579763 0.458668 0.046 Uiso 1 1 calc R U . . .
C14 C 0.1064(3) 0.6656(3) 0.2874(3) 0.0417(9) Uani 1 1 d . . . . .
H14 H 0.030494 0.674381 0.257917 0.050 Uiso 1 1 calc R U . . .
C15 C 0.4173(3) 0.7150(3) 0.2850(3) 0.0397(9) Uani 1 1 d . . . . .
H15A H 0.453766 0.697291 0.354706 0.048 Uiso 1 1 calc R U . . .
H15B H 0.404455 0.799254 0.264605 0.048 Uiso 1 1 calc R U . . .
C16 C 0.5132(3) 0.6604(3) 0.1937(3) 0.0343(8) Uani 1 1 d . . . . .
C17 C 0.5399(3) 0.7248(3) 0.0878(3) 0.0362(8) Uani 1 1 d . . . . .
C18 C 0.6344(3) 0.6758(3) 0.0058(3) 0.0357(8) Uani 1 1 d . . . . .
C19 C 0.7067(4) 0.5653(4) 0.0315(3) 0.0432(9) Uani 1 1 d . . . . .
C20 C 0.6788(4) 0.5000(3) 0.1377(3) 0.0397(9) Uani 1 1 d . . . . .
C21 C 0.5800(3) 0.5475(3) 0.2184(3) 0.0385(8) Uani 1 1 d . . . . .
C22 C 0.6577(4) 0.7432(4) -0.1113(3) 0.0462(10) Uani 1 1 d . . . . .
H22A H 0.694209 0.688507 -0.164938 0.055 Uiso 1 1 calc R U . . .
H22B H 0.576482 0.784594 -0.132268 0.055 Uiso 1 1 calc R U . . .
C23 C 0.8518(4) 0.9585(3) -0.1909(3) 0.0392(9) Uani 1 1 d . . . . .
H23 H 0.887626 1.015407 -0.242587 0.047 Uiso 1 1 calc R U . . .
C24 C 0.8126(4) 0.8454(4) -0.0440(3) 0.0401(9) Uani 1 1 d . . . . .
H24 H 0.812009 0.804736 0.028521 0.048 Uiso 1 1 calc R U . . .
C25 C 0.7581(4) 0.3811(4) 0.1670(4) 0.0493(10) Uani 1 1 d . . . . .
H25A H 0.702807 0.328755 0.211541 0.059 Uiso 1 1 calc R U . . .
H25B H 0.796646 0.348505 0.098036 0.059 Uiso 1 1 calc R U . . .
C26 C 0.8603(4) 0.4624(3) 0.3035(3) 0.0410(9) Uani 1 1 d . . . . .
H26 H 0.796749 0.526219 0.317979 0.049 Uiso 1 1 calc R U . . .
C27 C 1.0260(4) 0.3375(4) 0.3036(3) 0.0436(9) Uani 1 1 d . . . . .
H27 H 1.104910 0.296518 0.320201 0.052 Uiso 1 1 calc R U . . .
C28 C 0.4710(4) 0.8494(4) 0.0626(4) 0.0538(11) Uani 1 1 d . . . . .
H28A H 0.382913 0.854716 0.097011 0.081 Uiso 1 1 calc R U . . .
H28B H 0.475430 0.870718 -0.017623 0.081 Uiso 1 1 calc R U . . .
H28C H 0.511052 0.901596 0.092480 0.081 Uiso 1 1 calc R U . . .
C29 C 0.8159(5) 0.5152(5) -0.0540(4) 0.0738(16) Uani 1 1 d . . . . .
H29A H 0.781909 0.481755 -0.106992 0.111 Uiso 1 1 calc R U . . .
H29B H 0.873567 0.455698 -0.015575 0.111 Uiso 1 1 calc R U . . .
H29C H 0.861043 0.576420 -0.093488 0.111 Uiso 1 1 calc R U . . .
C30 C 0.5473(4) 0.4772(4) 0.3338(4) 0.0549(12) Uani 1 1 d . . . . .
H30A H 0.470005 0.446753 0.336034 0.082 Uiso 1 1 calc R U . . .
H30B H 0.535061 0.527073 0.391424 0.082 Uiso 1 1 calc R U . . .
H30C H 0.616096 0.413682 0.346574 0.082 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 N2 2.122(3) . ?
Co1 N2 2.122(3) 2_566 ?
Co1 N5 2.191(3) 2_666 ?
Co1 N5 2.191(3) 1_455 ?
Co1 O3 2.049(2) . ?
Co1 O3 2.049(2) 2_566 ?
Co2 N8 2.143(3) 1_446 ?
Co2 N8 2.143(3) 2_666 ?
Co2 O1 2.102(2) . ?
Co2 O1 2.102(2) 2_557 ?
Co2 O6 2.130(2) . ?
Co2 O6 2.130(2) 2_557 ?
N1 C6 1.414(4) . ?
N1 C8 1.364(4) . ?
N2 C13 1.298(5) . ?
N2 C14 1.355(5) . ?
N3 N4 1.355(4) . ?
N3 C14 1.316(5) . ?
N4 C13 1.326(4) . ?
N4 C15 1.468(4) . ?
N5 C26 1.335(5) . ?
N5 C27 1.342(5) . ?
N6 N7 1.348(4) . ?
N6 C27 1.321(6) . ?
N7 C25 1.469(5) . ?
N7 C26 1.330(5) . ?
N8 C23 1.340(5) . ?
N8 C24 1.320(5) . ?
N9 N10 1.360(4) . ?
N9 C23 1.323(5) . ?
N10 C22 1.471(5) . ?
N10 C24 1.320(5) . ?
O1 C12 1.266(4) . ?
O2 C12 1.248(4) . ?
O3 C1 1.256(4) . ?
O4 C1 1.245(4) . ?
O5 C8 1.218(4) . ?
C1 C2 1.516(4) . ?
C2 C3 1.392(5) . ?
C2 C7 1.385(4) . ?
C3 C4 1.378(5) . ?
C4 C5 1.394(4) . ?
C4 C12 1.518(4) . ?
C5 C6 1.396(4) . ?
C6 C7 1.397(4) . ?
C8 C9 1.497(4) . ?
C9 C10 1.396(5) . ?
C9 C11 1.372(5) . ?
C10 C11 1.378(5) 2_756 ?
C15 C16 1.509(5) . ?
C16 C17 1.394(5) . ?
C16 C21 1.397(5) . ?
C17 C18 1.400(5) . ?
C17 C28 1.518(5) . ?
C18 C19 1.399(5) . ?
C18 C22 1.515(5) . ?
C19 C20 1.403(5) . ?
C19 C29 1.519(6) . ?
C20 C21 1.408(6) . ?
C20 C25 1.515(5) . ?
C21 C30 1.524(5) . ?

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
N2 Co1 N2 180.00(12) . 2_566 ?
N2 Co1 N5 91.66(12) . 2_666 ?
N2 Co1 N5 88.34(12) 2_566 2_666 ?
N2 Co1 N5 88.34(12) . 1_455 ?
N2 Co1 N5 91.66(12) 2_566 1_455 ?
N5 Co1 N5 180.0 1_455 2_666 ?
O3 Co1 N2 94.02(10) . . ?
O3 Co1 N2 94.02(10) 2_566 2_566 ?
O3 Co1 N2 85.98(10) . 2_566 ?
O3 Co1 N2 85.98(10) 2_566 . ?
O3 Co1 N5 95.30(11) . 1_455 ?
O3 Co1 N5 84.70(11) 2_566 1_455 ?
O3 Co1 N5 95.30(11) 2_566 2_666 ?
O3 Co1 N5 84.70(11) . 2_666 ?
O3 Co1 O3 180.0 2_566 . ?
N8 Co2 N8 180.0 2_666 1_446 ?
O1 Co2 N8 91.95(10) . 1_446 ?
O1 Co2 N8 88.05(10) . 2_666 ?
O1 Co2 N8 91.95(10) 2_557 2_666 ?
O1 Co2 N8 88.05(10) 2_557 1_446 ?
O1 Co2 O1 180.0 . 2_557 ?
O1 Co2 O6 90.95(9) 2_557 . ?
O1 Co2 O6 89.05(9) 2_557 2_557 ?
O1 Co2 O6 89.05(9) . . ?
O1 Co2 O6 90.95(9) . 2_557 ?
O6 Co2 N8 89.32(11) . 1_446 ?
O6 Co2 N8 90.68(11) . 2_666 ?
O6 Co2 N8 89.32(11) 2_557 2_666 ?
O6 Co2 N8 90.68(11) 2_557 1_446 ?
O6 Co2 O6 180.0 . 2_557 ?
C8 N1 C6 127.2(3) . . ?
C13 N2 Co1 128.5(2) . . ?
C13 N2 C14 102.8(3) . . ?
C14 N2 Co1 128.4(2) . . ?
C14 N3 N4 102.2(3) . . ?
N3 N4 C15 122.0(3) . . ?
C13 N4 N3 109.4(3) . . ?
C13 N4 C15 128.4(3) . . ?
C26 N5 Co1 125.8(3) . 1_655 ?
C26 N5 C27 102.1(3) . . ?
C27 N5 Co1 131.0(3) . 1_655 ?
C27 N6 N7 102.5(3) . . ?
N6 N7 C25 120.1(3) . . ?
C26 N7 N6 109.6(3) . . ?
C26 N7 C25 129.9(3) . . ?
C23 N8 Co2 130.6(2) . 1_664 ?
C24 N8 Co2 126.9(2) . 1_664 ?
C24 N8 C23 102.4(3) . . ?
C23 N9 N10 101.8(3) . . ?
N9 N10 C22 119.6(3) . . ?
C24 N10 N9 109.5(3) . . ?
C24 N10 C22 130.8(3) . . ?
C12 O1 Co2 129.3(2) . . ?
C1 O3 Co1 137.6(2) . . ?
O3 C1 C2 114.5(3) . . ?
O4 C1 O3 127.4(3) . . ?
O4 C1 C2 118.0(3) . . ?
C3 C2 C1 120.4(3) . . ?
C7 C2 C1 119.4(3) . . ?
C7 C2 C3 120.1(3) . . ?
C4 C3 C2 120.5(3) . . ?
C3 C4 C5 119.5(3) . . ?
C3 C4 C12 120.0(3) . . ?
C5 C4 C12 120.4(3) . . ?
C4 C5 C6 120.2(3) . . ?
C5 C6 N1 118.1(3) . . ?
C5 C6 C7 119.5(3) . . ?
C7 C6 N1 122.4(3) . . ?
C2 C7 C6 119.7(3) . . ?
N1 C8 C9 115.3(3) . . ?
O5 C8 N1 123.6(3) . . ?
O5 C8 C9 121.1(3) . . ?
C10 C9 C8 117.2(3) . . ?
C11 C9 C8 124.3(3) . . ?
C11 C9 C10 118.5(3) . . ?
C11 C10 C9 120.4(3) 2_756 . ?
C9 C11 C10 121.1(3) . 2_756 ?
O1 C12 C4 117.1(3) . . ?
O2 C12 O1 125.2(3) . . ?
O2 C12 C4 117.7(3) . . ?
N2 C13 N4 111.2(3) . . ?
N3 C14 N2 114.4(3) . . ?
N4 C15 C16 115.4(3) . . ?
C17 C16 C15 120.2(3) . . ?
C17 C16 C21 120.4(3) . . ?
C21 C16 C15 119.4(3) . . ?
C16 C17 C18 119.7(3) . . ?
C16 C17 C28 120.3(3) . . ?
C18 C17 C28 120.0(3) . . ?
C17 C18 C22 119.5(4) . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 C22 120.1(3) . . ?
C18 C19 C20 119.7(4) . . ?
C18 C19 C29 120.8(4) . . ?
C20 C19 C29 119.5(4) . . ?
C19 C20 C21 119.7(4) . . ?
C19 C20 C25 120.1(4) . . ?
C21 C20 C25 120.2(4) . . ?
C16 C21 C20 119.9(3) . . ?
C16 C21 C30 119.6(4) . . ?
C20 C21 C30 120.4(4) . . ?
N10 C22 C18 112.4(3) . . ?
N9 C23 N8 115.3(3) . . ?
N10 C24 N8 111.0(3) . . ?
N7 C25 C20 111.2(3) . . ?
N7 C26 N5 110.4(3) . . ?
N6 C27 N5 115.3(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
