# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
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data_saili1_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2159629'
loop_
_audit_author_name
_audit_author_address
'KAMLESH SATPUTE'
;INDIAN INSTITUTE OF TECHNOLOGY ROPAR
India
;
_audit_update_record             
;
2022-03-17 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_audit_creation_date             2022-03-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H22 N6 S3 Sb'
_chemical_formula_sum            'C18 H22 N6 S3 Sb'
_chemical_formula_weight         540.34
_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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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                   14.315(3)
_cell_length_b                   11.378(3)
_cell_length_c                   15.490(3)
_cell_angle_alpha                90
_cell_angle_beta                 116.704(6)
_cell_angle_gamma                90
_cell_volume                     2253.8(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    298
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.317
_shelx_estimated_absorpt_T_max   0.717
_shelx_estimated_absorpt_T_min   0.565
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1489 before and 0.0966 after correction.
The Ratio of minimum to maximum transmission is 0.5435.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.425
_exptl_crystal_size_mid          0.356
_exptl_crystal_size_min          0.235
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18931
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.404
_diffrn_reflns_theta_min         2.396
_diffrn_ambient_temperature      298
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3146
_reflns_number_total             4106
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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         0.556
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4106
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.132
_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)+(0.0076P)²+4.6171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0919
_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.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C16(H16)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C18(H18A,H18B,H18C), C15(H15A,H15B,H15C),
 C9(H9A,H9B,H9C), C12(H12A,H12B,H12C)
;
_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
Sb1 Sb 0.61230(2) 0.48722(4) 0.44937(2) 0.05394(14) Uani 1 1 d . . . . .
S3 S 0.68985(11) 0.39474(16) 0.61343(9) 0.0669(4) Uani 1 1 d . . . . .
S2 S 0.77589(11) 0.60588(16) 0.52576(10) 0.0708(5) Uani 1 1 d . . . . .
S1 S 0.69188(11) 0.33935(17) 0.38844(10) 0.0760(5) Uani 1 1 d . . . . .
N2 N 0.5009(3) 0.3884(4) 0.2553(3) 0.0570(12) Uani 1 1 d . . . . .
N6 N 0.5154(3) 0.2989(4) 0.4860(3) 0.0600(13) Uani 1 1 d . . . . .
N1 N 0.5885(3) 0.2265(4) 0.2255(3) 0.0554(11) Uani 1 1 d . . . . .
N5 N 0.5966(4) 0.2090(5) 0.6415(3) 0.0633(13) Uani 1 1 d . . . . .
N3 N 0.6505(3) 0.6623(4) 0.3465(3) 0.0599(12) Uani 1 1 d . . . . .
N4 N 0.7896(4) 0.7961(5) 0.4346(4) 0.0725(14) Uani 1 1 d . . . . .
C6 C 0.5808(4) 0.3144(5) 0.2774(3) 0.0518(14) Uani 1 1 d . . . . .
C1 C 0.5057(4) 0.2106(5) 0.1394(4) 0.0574(15) Uani 1 1 d . . . . .
C13 C 0.5909(4) 0.2900(5) 0.5774(4) 0.0572(15) Uani 1 1 d . . . . .
C4 C 0.4175(4) 0.3694(5) 0.1691(3) 0.0560(14) Uani 1 1 d . . . . .
C7 C 0.7356(4) 0.6996(6) 0.4258(4) 0.0609(15) Uani 1 1 d . . . . .
C3 C 0.4191(4) 0.2833(5) 0.1096(4) 0.0618(16) Uani 1 1 d . . . . .
H3 H 0.362569 0.273023 0.049113 0.074 Uiso 1 1 calc R U . . .
C14 C 0.5197(5) 0.1293(6) 0.6110(4) 0.0648(16) Uani 1 1 d . . . . .
C8 C 0.6176(5) 0.7315(6) 0.2684(4) 0.0672(17) Uani 1 1 d . . . . .
C16 C 0.4384(5) 0.1345(6) 0.5185(4) 0.0722(17) Uani 1 1 d . . . . .
H16 H 0.384646 0.079599 0.498559 0.087 Uiso 1 1 calc R U . . .
C17 C 0.4372(4) 0.2210(6) 0.4562(4) 0.0648(16) Uani 1 1 d . . . . .
C11 C 0.7570(5) 0.8654(6) 0.3564(5) 0.0778(18) Uani 1 1 d . . . . .
C2 C 0.5116(5) 0.1119(6) 0.0787(4) 0.083(2) Uani 1 1 d . . . . .
H2A H 0.568670 0.061031 0.117393 0.124 Uiso 1 1 calc R U . . .
H2B H 0.522569 0.142881 0.026277 0.124 Uiso 1 1 calc R U . . .
H2C H 0.447395 0.068199 0.053212 0.124 Uiso 1 1 calc R U . . .
C10 C 0.6712(5) 0.8330(6) 0.2716(5) 0.0799(19) Uani 1 1 d . . . . .
H10A H 0.621419 0.897296 0.253355 0.096 Uiso 1 1 calc R U . . .
H10B H 0.694414 0.827081 0.221768 0.096 Uiso 1 1 calc R U . . .
C5 C 0.3255(4) 0.4494(6) 0.1441(4) 0.084(2) Uani 1 1 d . . . . .
H5A H 0.333999 0.491901 0.200743 0.126 Uiso 1 1 calc R U . . .
H5B H 0.262533 0.403506 0.120607 0.126 Uiso 1 1 calc R U . . .
H5C H 0.321047 0.503813 0.095105 0.126 Uiso 1 1 calc R U . . .
C18 C 0.3522(4) 0.2342(6) 0.3546(4) 0.082(2) Uani 1 1 d . . . . .
H18A H 0.329161 0.314508 0.343534 0.123 Uiso 1 1 calc R U . . .
H18B H 0.294453 0.184239 0.345413 0.123 Uiso 1 1 calc R U . . .
H18C H 0.378675 0.212398 0.309818 0.123 Uiso 1 1 calc R U . . .
C15 C 0.5278(6) 0.0369(6) 0.6825(5) 0.093(2) Uani 1 1 d . . . . .
H15A H 0.591519 -0.006505 0.701264 0.140 Uiso 1 1 calc R U . . .
H15B H 0.469259 -0.015544 0.653776 0.140 Uiso 1 1 calc R U . . .
H15C H 0.527894 0.073353 0.738423 0.140 Uiso 1 1 calc R U . . .
C9 C 0.5210(5) 0.6935(6) 0.1817(4) 0.096(2) Uani 1 1 d . . . . .
H9A H 0.522956 0.609938 0.173882 0.143 Uiso 1 1 calc R U . . .
H9B H 0.517506 0.732294 0.125306 0.143 Uiso 1 1 calc R U . . .
H9C H 0.460640 0.713680 0.190301 0.143 Uiso 1 1 calc R U . . .
C12 C 0.8153(6) 0.9762(7) 0.3652(6) 0.114(3) Uani 1 1 d . . . . .
H12A H 0.812785 1.024222 0.415028 0.170 Uiso 1 1 calc R U . . .
H12B H 0.784127 1.017841 0.304836 0.170 Uiso 1 1 calc R U . . .
H12C H 0.886834 0.958311 0.381270 0.170 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
Sb1 S3 2.5023(15) . ?
Sb1 S2 2.4933(16) . ?
Sb1 S1 2.4464(15) . ?
S3 C13 1.740(6) . ?
S2 C7 1.750(6) . ?
S1 C6 1.763(5) . ?
N2 C6 1.336(6) . ?
N2 C4 1.350(6) . ?
N6 C13 1.345(6) . ?
N6 C17 1.336(7) . ?
N1 C6 1.318(6) . ?
N1 C1 1.340(6) . ?
N5 C13 1.331(7) . ?
N5 C14 1.338(7) . ?
N3 C7 1.352(6) . ?
N3 C8 1.339(7) . ?
N4 C7 1.314(7) . ?
N4 C11 1.342(8) . ?
C1 C3 1.385(8) . ?
C1 C2 1.492(7) . ?
C4 C3 1.353(7) . ?
C4 C5 1.502(7) . ?
C3 H3 0.9300 . ?
C14 C16 1.383(8) . ?
C14 C15 1.493(8) . ?
C8 C10 1.375(8) . ?
C8 C9 1.494(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.373(8) . ?
C17 C18 1.503(7) . ?
C11 C10 1.386(9) . ?
C11 C12 1.485(9) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 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
S2 Sb1 S3 81.51(5) . . ?
S1 Sb1 S3 91.81(6) . . ?
S1 Sb1 S2 93.13(6) . . ?
C13 S3 Sb1 92.09(19) . . ?
C7 S2 Sb1 92.5(2) . . ?
C6 S1 Sb1 96.60(18) . . ?
C6 N2 C4 115.3(4) . . ?
C17 N6 C13 117.8(5) . . ?
C6 N1 C1 115.5(5) . . ?
C13 N5 C14 116.2(5) . . ?
C8 N3 C7 116.4(5) . . ?
C7 N4 C11 116.6(6) . . ?
N2 C6 S1 116.2(4) . . ?
N1 C6 S1 115.6(4) . . ?
N1 C6 N2 128.2(4) . . ?
N1 C1 C3 120.6(5) . . ?
N1 C1 C2 117.0(5) . . ?
C3 C1 C2 122.4(5) . . ?
N6 C13 S3 116.1(5) . . ?
N5 C13 S3 117.8(4) . . ?
N5 C13 N6 126.1(5) . . ?
N2 C4 C3 120.8(5) . . ?
N2 C4 C5 116.2(5) . . ?
C3 C4 C5 123.0(5) . . ?
N3 C7 S2 114.7(5) . . ?
N4 C7 S2 118.2(4) . . ?
N4 C7 N3 127.2(6) . . ?
C1 C3 H3 120.3 . . ?
C4 C3 C1 119.5(5) . . ?
C4 C3 H3 120.3 . . ?
N5 C14 C16 120.8(6) . . ?
N5 C14 C15 116.0(6) . . ?
C16 C14 C15 123.2(7) . . ?
N3 C8 C10 119.8(6) . . ?
N3 C8 C9 116.7(6) . . ?
C10 C8 C9 123.5(6) . . ?
C14 C16 H16 120.1 . . ?
C17 C16 C14 119.9(6) . . ?
C17 C16 H16 120.1 . . ?
N6 C17 C16 119.2(5) . . ?
N6 C17 C18 117.0(6) . . ?
C16 C17 C18 123.8(6) . . ?
N4 C11 C10 120.1(7) . . ?
N4 C11 C12 117.6(7) . . ?
C10 C11 C12 122.3(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C8 C10 C11 120.0(6) . . ?
C8 C10 H10A 107.3 . . ?
C8 C10 H10B 107.3 . . ?
C11 C10 H10A 107.3 . . ?
C11 C10 H10B 107.3 . . ?
H10A C10 H10B 106.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 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
Sb1 S3 C13 N6 -2.3(4) . . . . ?
Sb1 S3 C13 N5 177.5(4) . . . . ?
Sb1 S2 C7 N3 -11.4(4) . . . . ?
Sb1 S2 C7 N4 168.9(4) . . . . ?
Sb1 S1 C6 N2 9.4(4) . . . . ?
Sb1 S1 C6 N1 -172.4(4) . . . . ?
N2 C4 C3 C1 2.9(9) . . . . ?
N1 C1 C3 C4 -1.5(9) . . . . ?
N5 C14 C16 C17 1.3(9) . . . . ?
N3 C8 C10 C11 -2.1(9) . . . . ?
N4 C11 C10 C8 1.8(10) . . . . ?
C6 N2 C4 C3 -2.4(8) . . . . ?
C6 N2 C4 C5 178.2(5) . . . . ?
C6 N1 C1 C3 -0.1(8) . . . . ?
C6 N1 C1 C2 -180.0(5) . . . . ?
C1 N1 C6 S1 -177.4(4) . . . . ?
C1 N1 C6 N2 0.6(9) . . . . ?
C13 N6 C17 C16 -1.4(8) . . . . ?
C13 N6 C17 C18 178.6(5) . . . . ?
C13 N5 C14 C16 -1.6(8) . . . . ?
C13 N5 C14 C15 178.6(5) . . . . ?
C4 N2 C6 S1 178.7(4) . . . . ?
C4 N2 C6 N1 0.6(9) . . . . ?
C7 N3 C8 C10 1.2(8) . . . . ?
C7 N3 C8 C9 -177.6(5) . . . . ?
C7 N4 C11 C10 -0.7(9) . . . . ?
C7 N4 C11 C12 178.7(6) . . . . ?
C14 N5 C13 S3 -179.4(4) . . . . ?
C14 N5 C13 N6 0.4(8) . . . . ?
C14 C16 C17 N6 0.2(9) . . . . ?
C14 C16 C17 C18 -179.7(5) . . . . ?
C8 N3 C7 S2 -179.8(4) . . . . ?
C8 N3 C7 N4 -0.1(8) . . . . ?
C17 N6 C13 S3 -179.0(4) . . . . ?
C17 N6 C13 N5 1.2(8) . . . . ?
C11 N4 C7 S2 179.5(4) . . . . ?
C11 N4 C7 N3 -0.1(9) . . . . ?
C2 C1 C3 C4 178.3(5) . . . . ?
C5 C4 C3 C1 -177.8(5) . . . . ?
C15 C14 C16 C17 -178.9(6) . . . . ?
C9 C8 C10 C11 176.6(6) . . . . ?
C12 C11 C10 C8 -177.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
