# Supplementary Information (SI) for RSC Advances.
# 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).
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_shs_742_mobo_auto
_database_code_depnum_ccdc_archive 'CCDC 2449627'
_audit_update_record             
;
2025-05-08 deposited with the CCDC.	2026-04-30 downloaded from the CCDC.
;
_audit_creation_date             2025-05-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C4 H3 Cl4 N2 O Sb), 2(C4 H3 Cl N2 O)'
_chemical_formula_sum            'C16 H12 Cl10 N8 O4 Sb2'
_chemical_formula_weight         978.34
_chemical_absolute_configuration ?
_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'
Cl Cl 0.1484 0.1585 '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'
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      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   17.5960(4)
_cell_length_b                   28.4487(7)
_cell_length_c                   24.7684(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12398.6(5)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    56692
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4
_cell_measurement_theta_min      1.6
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.645
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.096
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             7488
_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  0.0246
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13625
_diffrn_reflns_point_group_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.016
_diffrn_reflns_theta_max         25.016
_diffrn_reflns_theta_min         2.575
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Unknown
_diffrn_measurement_method       Unknown
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.838
_reflns_Friedel_fraction_full    0.881
_reflns_Friedel_fraction_max     0.881
_reflns_number_gt                4856
_reflns_number_total             5165
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    ?
_refine_diff_density_max         1.441
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.69(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5165
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0289
_refine_ls_restrained_S_all      1.040
_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)+(0.0529P)²+21.8067P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0768
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.31(3)
 0.69(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
3.a Aromatic/amide H refined with riding coordinates:
 N7(H7), N2(H2), N5(H5), C10(H10), C7(H7A), N4(H4), C14(H14), C6(H6), C15(H15),
  C11(H11), C2(H2A), C3(H3)
;
_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
Sb1 Sb 0.67993(3) 0.57235(2) 0.61328(2) 0.01879(15) Uani 1 1 d . . . . .
Sb2 Sb 0.81761(3) 0.42977(2) 0.63375(2) 0.01674(15) Uani 1 1 d . . . . .
Cl11 Cl 1.16701(14) 0.27355(9) 0.69674(9) 0.0318(5) Uani 1 1 d . . . . .
Cl6 Cl 0.92393(11) 0.45815(7) 0.58531(8) 0.0262(4) Uani 1 1 d . . . . .
Cl5 Cl 0.72735(11) 0.46272(6) 0.56647(7) 0.0200(4) Uani 1 1 d . . . . .
Cl2 Cl 0.67014(12) 0.64556(7) 0.65942(7) 0.0244(4) Uani 1 1 d . . . . .
Cl3 Cl 0.57196(13) 0.54151(7) 0.65710(9) 0.0335(5) Uani 1 1 d . . . . .
Cl7 Cl 0.82139(11) 0.35657(7) 0.58793(7) 0.0216(4) Uani 1 1 d . . . . .
Cl4 Cl 0.76642(12) 0.54086(6) 0.68431(7) 0.0232(4) Uani 1 1 d . . . . .
Cl12 Cl 0.62764(12) 0.68394(6) 0.30754(8) 0.0234(4) Uani 1 1 d . . . . .
Cl10 Cl 0.33046(13) 0.72439(9) 0.55659(9) 0.0298(5) Uani 1 1 d . . . . .
Cl14 Cl 0.88649(12) 0.31321(6) 0.45645(8) 0.0269(4) Uani 1 1 d . . . . .
O13 O 0.5950(3) 0.48461(18) 0.3060(2) 0.0252(12) Uani 1 1 d . . . . .
N7 N 0.9673(4) 0.3244(2) 0.6865(2) 0.0206(14) Uani 1 1 d . . . . .
H7 H 0.921738 0.312013 0.683096 0.025 Uiso 1 1 calc R U . . .
N2 N 0.5311(4) 0.6744(2) 0.5645(2) 0.0212(14) Uani 1 1 d . . . . .
H2 H 0.576429 0.686804 0.569230 0.025 Uiso 1 1 calc R U . . .
O8 O 0.9110(3) 0.39555(19) 0.6914(2) 0.0242(12) Uani 1 1 d . . . . .
N5 N 0.9559(4) 0.4402(2) 0.4425(2) 0.0193(14) Uani 1 1 d . . . . .
H5 H 1.000744 0.453736 0.439594 0.023 Uiso 1 1 calc R U . . .
C10 C 0.8219(5) 0.4457(3) 0.4460(3) 0.0219(19) Uani 1 1 d . . . . .
H10 H 0.776232 0.463527 0.445341 0.026 Uiso 1 1 calc R U . . .
N8 N 1.0266(4) 0.2943(2) 0.6889(3) 0.0213(14) Uani 1 1 d . . . . .
N1 N 0.4717(4) 0.7046(2) 0.5648(3) 0.0243(15) Uani 1 1 d . . . . .
C7 C 1.1074(5) 0.3615(3) 0.6909(3) 0.0243(19) Uani 1 1 d . . . . .
H7A H 1.157757 0.373513 0.691946 0.029 Uiso 1 1 calc R U . . .
N4 N 0.5490(4) 0.5587(2) 0.3115(3) 0.0218(14) Uani 1 1 d . . . . .
H4 H 0.503290 0.546617 0.315383 0.026 Uiso 1 1 calc R U . . .
C14 C 0.6882(5) 0.5965(3) 0.3007(3) 0.0230(17) Uani 1 1 d . . . . .
H14 H 0.736461 0.611124 0.297341 0.028 Uiso 1 1 calc R U . . .
C6 C 1.0466(5) 0.3907(3) 0.6882(3) 0.0223(17) Uani 1 1 d . . . . .
H6 H 1.053994 0.423762 0.686022 0.027 Uiso 1 1 calc R U . . .
C8 C 1.0938(5) 0.3127(3) 0.6920(3) 0.0194(16) Uani 1 1 d . . . . .
C16 C 0.6071(5) 0.5275(3) 0.3052(3) 0.0223(18) Uani 1 1 d . . . . .
C13 C 0.6220(5) 0.6235(3) 0.3067(3) 0.0184(17) Uani 1 1 d . . . . .
N3 N 0.5536(4) 0.6063(2) 0.3124(2) 0.0193(14) Uani 1 1 d . . . . .
C5 C 0.9715(5) 0.3716(3) 0.6887(3) 0.0215(17) Uani 1 1 d . . . . .
C15 C 0.6816(5) 0.5494(3) 0.2997(3) 0.0220(19) Uani 1 1 d . . . . .
H15 H 0.725526 0.530357 0.295375 0.026 Uiso 1 1 calc R U . . .
C12 C 0.8880(5) 0.3737(3) 0.4509(3) 0.0220(17) Uani 1 1 d . . . . .
C11 C 0.8192(5) 0.3986(3) 0.4506(3) 0.0224(18) Uani 1 1 d . . . . .
H11 H 0.771902 0.382706 0.453521 0.027 Uiso 1 1 calc R U . . .
N6 N 0.9554(4) 0.3922(2) 0.4470(2) 0.0197(14) Uani 1 1 d . . . . .
O9 O 0.9037(3) 0.51275(17) 0.4391(2) 0.0208(11) Uani 1 1 d . . . . .
C9 C 0.8945(5) 0.4690(3) 0.4420(3) 0.0180(17) Uani 1 1 d . . . . .
O1 O 0.5891(3) 0.60468(19) 0.5526(2) 0.0252(12) Uani 1 1 d . . . . .
C1 C 0.4048(5) 0.6854(3) 0.5585(3) 0.0233(18) Uani 1 1 d . . . . .
C2 C 0.3920(5) 0.6364(3) 0.5542(3) 0.0245(19) Uani 1 1 d . . . . .
H2A H 0.342072 0.624047 0.551005 0.029 Uiso 1 1 calc R U . . .
C3 C 0.4533(5) 0.6080(3) 0.5548(3) 0.0248(18) Uani 1 1 d . . . . .
H3 H 0.446699 0.574881 0.553240 0.030 Uiso 1 1 calc R U . . .
C4 C 0.5287(5) 0.6274(3) 0.5579(3) 0.0204(16) Uani 1 1 d . . . . .


_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 Cl2 2.3822(19) . ?
Sb1 Cl3 2.357(2) . ?
Sb1 Cl4 2.4928(19) . ?
Sb1 O1 2.379(5) . ?
Sb2 Cl6 2.3646(19) . ?
Sb2 Cl5 2.4855(18) . ?
Sb2 Cl7 2.3727(19) . ?
Sb2 O8 2.385(5) . ?
Cl11 C8 1.708(9) . ?
Cl12 C13 1.723(8) . ?
Cl10 C1 1.716(9) . ?
Cl14 C12 1.725(8) . ?
O13 C16 1.240(10) . ?
N7 H7 0.8800 . ?
N7 N8 1.351(9) . ?
N7 C5 1.346(10) . ?
N2 H2 0.8800 . ?
N2 N1 1.354(9) . ?
N2 C4 1.345(10) . ?
O8 C5 1.265(10) . ?
N5 H5 0.8800 . ?
N5 N6 1.370(9) . ?
N5 C9 1.358(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.345(13) . ?
C10 C9 1.442(12) . ?
N8 C8 1.296(11) . ?
N1 C1 1.307(11) . ?
C7 H7A 0.9500 . ?
C7 C6 1.357(12) . ?
C7 C8 1.407(11) . ?
N4 H4 0.8800 . ?
N4 C16 1.362(11) . ?
N4 N3 1.356(9) . ?
C14 H14 0.9500 . ?
C14 C13 1.403(12) . ?
C14 C15 1.345(13) . ?
C6 H6 0.9500 . ?
C6 C5 1.430(12) . ?
C16 C15 1.457(12) . ?
C13 N3 1.306(10) . ?
C15 H15 0.9500 . ?
C12 C11 1.404(12) . ?
C12 N6 1.302(11) . ?
C11 H11 0.9500 . ?
O9 C9 1.256(9) . ?
O1 C4 1.252(9) . ?
C1 C2 1.414(12) . ?
C2 H2A 0.9500 . ?
C2 C3 1.349(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.439(12) . ?

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
Cl2 Sb1 Cl4 91.13(7) . . ?
Cl3 Sb1 Cl2 92.65(8) . . ?
Cl3 Sb1 Cl4 91.91(7) . . ?
Cl3 Sb1 O1 83.90(15) . . ?
O1 Sb1 Cl2 85.22(14) . . ?
O1 Sb1 Cl4 174.30(14) . . ?
Cl6 Sb2 Cl5 92.10(7) . . ?
Cl6 Sb2 Cl7 91.99(7) . . ?
Cl6 Sb2 O8 84.16(14) . . ?
Cl7 Sb2 Cl5 91.62(6) . . ?
Cl7 Sb2 O8 84.77(14) . . ?
O8 Sb2 Cl5 174.69(13) . . ?
N8 N7 H7 117.0 . . ?
C5 N7 H7 117.0 . . ?
C5 N7 N8 126.1(7) . . ?
N1 N2 H2 116.4 . . ?
C4 N2 H2 116.4 . . ?
C4 N2 N1 127.3(7) . . ?
C5 O8 Sb2 140.1(5) . . ?
N6 N5 H5 116.7 . . ?
C9 N5 H5 116.7 . . ?
C9 N5 N6 126.6(7) . . ?
C11 C10 H10 120.2 . . ?
C11 C10 C9 119.7(8) . . ?
C9 C10 H10 120.2 . . ?
C8 N8 N7 116.7(7) . . ?
C1 N1 N2 115.5(7) . . ?
C6 C7 H7A 121.0 . . ?
C6 C7 C8 118.1(8) . . ?
C8 C7 H7A 121.0 . . ?
C16 N4 H4 116.3 . . ?
N3 N4 H4 116.3 . . ?
N3 N4 C16 127.4(7) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 120.8 . . ?
C15 C14 C13 118.4(8) . . ?
C7 C6 H6 120.2 . . ?
C7 C6 C5 119.7(7) . . ?
C5 C6 H6 120.2 . . ?
N8 C8 Cl11 115.4(6) . . ?
N8 C8 C7 123.6(8) . . ?
C7 C8 Cl11 121.0(7) . . ?
O13 C16 N4 120.8(8) . . ?
O13 C16 C15 125.1(8) . . ?
N4 C16 C15 114.1(7) . . ?
C14 C13 Cl12 120.0(6) . . ?
N3 C13 Cl12 115.2(6) . . ?
N3 C13 C14 124.8(7) . . ?
C13 N3 N4 115.3(7) . . ?
N7 C5 C6 115.4(7) . . ?
O8 C5 N7 119.5(7) . . ?
O8 C5 C6 125.0(7) . . ?
C14 C15 C16 120.0(8) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C11 C12 Cl14 119.5(7) . . ?
N6 C12 Cl14 115.1(6) . . ?
N6 C12 C11 125.4(7) . . ?
C10 C11 C12 118.3(8) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
C12 N6 N5 114.7(7) . . ?
N5 C9 C10 115.3(7) . . ?
O9 C9 N5 119.7(8) . . ?
O9 C9 C10 125.0(7) . . ?
C4 O1 Sb1 134.7(5) . . ?
N1 C1 Cl10 114.8(7) . . ?
N1 C1 C2 124.3(8) . . ?
C2 C1 Cl10 120.9(7) . . ?
C1 C2 H2A 121.2 . . ?
C3 C2 C1 117.6(9) . . ?
C3 C2 H2A 121.2 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(7) . . ?
C4 C3 H3 119.8 . . ?
N2 C4 C3 114.7(7) . . ?
O1 C4 N2 119.9(8) . . ?
O1 C4 C3 125.3(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
Sb1 O1 C4 N2 83.9(8) . . . . ?
Sb1 O1 C4 C3 -99.6(8) . . . . ?
Sb2 O8 C5 N7 -86.5(9) . . . . ?
Sb2 O8 C5 C6 93.9(9) . . . . ?
Cl12 C13 N3 N4 179.7(5) . . . . ?
Cl10 C1 C2 C3 178.5(6) . . . . ?
Cl14 C12 C11 C10 -179.7(6) . . . . ?
Cl14 C12 N6 N5 179.9(5) . . . . ?
O13 C16 C15 C14 -178.4(7) . . . . ?
N7 N8 C8 Cl11 178.4(5) . . . . ?
N7 N8 C8 C7 -2.5(11) . . . . ?
N2 N1 C1 Cl10 -177.8(5) . . . . ?
N2 N1 C1 C2 2.9(10) . . . . ?
N8 N7 C5 O8 -173.0(6) . . . . ?
N8 N7 C5 C6 6.6(10) . . . . ?
N1 N2 C4 O1 171.9(7) . . . . ?
N1 N2 C4 C3 -4.9(10) . . . . ?
N1 C1 C2 C3 -2.2(11) . . . . ?
C7 C6 C5 N7 -6.4(10) . . . . ?
C7 C6 C5 O8 173.2(7) . . . . ?
N4 C16 C15 C14 -0.4(10) . . . . ?
C14 C13 N3 N4 -0.8(10) . . . . ?
C6 C7 C8 Cl11 -178.6(6) . . . . ?
C6 C7 C8 N8 2.3(11) . . . . ?
C8 C7 C6 C5 2.4(11) . . . . ?
C16 N4 N3 C13 -0.3(10) . . . . ?
C13 C14 C15 C16 -0.4(11) . . . . ?
N3 N4 C16 O13 178.9(7) . . . . ?
N3 N4 C16 C15 0.8(10) . . . . ?
C5 N7 N8 C8 -2.3(10) . . . . ?
C15 C14 C13 Cl12 -179.4(6) . . . . ?
C15 C14 C13 N3 1.1(11) . . . . ?
C11 C10 C9 N5 1.0(10) . . . . ?
C11 C10 C9 O9 -177.9(7) . . . . ?
C11 C12 N6 N5 0.3(10) . . . . ?
N6 N5 C9 C10 -0.9(10) . . . . ?
N6 N5 C9 O9 178.1(6) . . . . ?
N6 C12 C11 C10 -0.1(11) . . . . ?
C9 N5 N6 C12 0.3(9) . . . . ?
C9 C10 C11 C12 -0.5(11) . . . . ?
C1 C2 C3 C4 -2.1(11) . . . . ?
C2 C3 C4 N2 5.3(10) . . . . ?
C2 C3 C4 O1 -171.4(7) . . . . ?
C4 N2 N1 C1 1.0(10) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.31(3)
2 0.69(3)

