# Supplementary Information (SI) for ChemComm.
# 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. 
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data_mo_sb_acn_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2518351'
loop_
_audit_author_name
_audit_author_address
'CUI Haixia'
;Nanjing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2026-04-19 deposited with the CCDC.	2026-04-27 downloaded from the CCDC.
;
_audit_creation_date             2026-04-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7537)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(Cl3 Sb0.5), 3(C15 H25 N2), 0.333(C6 H9 N3)'
_chemical_formula_sum            'C47 H78 Cl6 N7 Sb'
_chemical_formula_weight         1075.61
_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'
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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   16.9893(6)
_cell_length_b                   16.9893(6)
_cell_length_c                   33.1773(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8293.2(7)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6883
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1204 before and 0.0631 after correction.
The Ratio of minimum to maximum transmission is 0.9236.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3372
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            40426
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.356
_diffrn_reflns_theta_min         2.398
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2796
_reflns_number_total             3379
_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       'Bruker APEX-II'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         3379
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.115
_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)+(0.0705P)²+23.7928P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1345
_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
 N3-C16
 1.14 with sigma of 0.02
 C16-C17
 1.456 with sigma of 0.01
 C16-N3
 1.137 with sigma of 0.01
 C17-N3
 2.593 with sigma of 0.02
 N3-C17
 2.59 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
N3 \\sim C16 \\sim C17: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C17 \\sim N3 \\sim C16: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002 within 2A
4. Rigid body (RIGU) restrains
 N3, C16, C17
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H17A(0.333333) H17B(0.333333) H17C(0.333333)
6.a Riding coordinates:
 C17(H17A,H17B,H17C)
6.b Ternary CH refined with riding coordinates:
 C7(H7), C1(H1)
6.c Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C3(H3A,H3B), C5(H5A,H5B), C11(H11A,H11B), C2(H2A,
 H2B), C6(H6A,H6B), C10(H10A,H10B), C4(H4A,H4B), C12(H12A,H12B)
6.d Aromatic/amide H refined with riding coordinates:
 C14(H14), C13(H13), C15(H15)
;
_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
Sb1 Sb 0.666667 0.333333 0.333333 0.03541(18) Uani 1 6 d S T P . .
Sb2 Sb 1.000000 1.000000 0.500000 0.0545(2) Uani 1 6 d S T P . .
Cl2 Cl 0.85290(8) 0.94152(9) 0.45382(5) 0.0829(4) Uani 1 1 d . . . . .
N2 N 0.7523(2) 0.6625(2) 0.44679(11) 0.0627(9) Uani 1 1 d . . . . .
N1 N 0.8355(3) 0.6989(2) 0.39321(11) 0.0626(9) Uani 1 1 d . . . . .
C7 C 0.7203(3) 0.6681(3) 0.48745(13) 0.0683(12) Uani 1 1 d . . . . .
H7 H 0.758251 0.730474 0.497215 0.082 Uiso 1 1 calc R U . . .
C1 C 0.9086(3) 0.7541(3) 0.36454(14) 0.0690(12) Uani 1 1 d . . . . .
H1 H 0.956588 0.805850 0.379262 0.083 Uiso 1 1 calc R U . . .
Cl1 Cl 0.56802(7) 0.38455(7) 0.37695(3) 0.0609(3) Uani 1 1 d . . . . .
C14 C 0.7143(3) 0.5884(3) 0.42141(13) 0.0674(12) Uani 1 1 d . . . . .
H14 H 0.662384 0.532761 0.426385 0.081 Uiso 1 1 calc R U . . .
C8 C 0.6240(4) 0.6483(5) 0.48596(16) 0.0924(17) Uani 1 1 d . . . . .
H8A H 0.585603 0.588679 0.474303 0.111 Uiso 1 1 calc R U . . .
H8B H 0.620145 0.692851 0.469057 0.111 Uiso 1 1 calc R U . . .
C9 C 0.5907(5) 0.6514(5) 0.52859(17) 0.107(2) Uani 1 1 d . . . . .
H9A H 0.624870 0.712998 0.538860 0.129 Uiso 1 1 calc R U . . .
H9B H 0.527159 0.634833 0.527388 0.129 Uiso 1 1 calc R U . . .
C3 C 0.9491(6) 0.8477(5) 0.3028(2) 0.139(3) Uani 1 1 d . . . . .
H3A H 0.924056 0.866629 0.281114 0.166 Uiso 1 1 calc R U . . .
H3B H 0.994612 0.901989 0.316488 0.166 Uiso 1 1 calc R U . . .
C5 C 1.0257(4) 0.7612(5) 0.3174(2) 0.115(2) Uani 1 1 d . . . . .
H5A H 1.075281 0.810202 0.332119 0.138 Uiso 1 1 calc R U . . .
H5B H 1.048684 0.725074 0.304792 0.138 Uiso 1 1 calc R U . . .
C11 C 0.6967(5) 0.6094(6) 0.55768(18) 0.117(2) Uani 1 1 d . . . . .
H11A H 0.701207 0.565605 0.574857 0.140 Uiso 1 1 calc R U . . .
H11B H 0.734724 0.669322 0.569129 0.140 Uiso 1 1 calc R U . . .
C2 C 0.8736(5) 0.7904(5) 0.3325(2) 0.114(2) Uani 1 1 d . . . . .
H2A H 0.850948 0.827082 0.344640 0.136 Uiso 1 1 calc R U . . .
H2B H 0.823730 0.740315 0.318310 0.136 Uiso 1 1 calc R U . . .
C6 C 0.9490(4) 0.7015(4) 0.34675(19) 0.0962(18) Uani 1 1 d . . . . .
H6A H 0.902340 0.648760 0.332609 0.115 Uiso 1 1 calc R U . . .
H6B H 0.972836 0.680297 0.368107 0.115 Uiso 1 1 calc R U . . .
C10 C 0.6009(4) 0.5889(4) 0.55674(17) 0.0889(16) Uani 1 1 d . . . . .
H10A H 0.582373 0.595527 0.583602 0.107 Uiso 1 1 calc R U . . .
H10B H 0.561730 0.526577 0.548172 0.107 Uiso 1 1 calc R U . . .
C4 C 0.9929(5) 0.7998(5) 0.2857(2) 0.116(2) Uani 1 1 d . . . . .
H4A H 1.043935 0.841702 0.269168 0.139 Uiso 1 1 calc R U . . .
H4B H 0.949989 0.751137 0.268427 0.139 Uiso 1 1 calc R U . . .
C12 C 0.7309(4) 0.6061(5) 0.51590(16) 0.105(2) Uani 1 1 d . . . . .
H12A H 0.794603 0.623416 0.517461 0.126 Uiso 1 1 calc R U . . .
H12B H 0.697485 0.544393 0.505704 0.126 Uiso 1 1 calc R U . . .
C13 C 0.8252(3) 0.7275(3) 0.42890(13) 0.0673(12) Uani 1 1 d . . . . .
H13 H 0.863544 0.784728 0.439699 0.081 Uiso 1 1 calc R U . . .
C15 C 0.7659(3) 0.6116(3) 0.38830(14) 0.0658(11) Uani 1 1 d . . . . .
H15 H 0.756197 0.574929 0.365905 0.079 Uiso 1 1 calc R U . . .
N3 N 0.666667 0.333333 0.4658(4) 0.244(5) Uani 1 3 d DS TU P . .
C16 C 0.666667 0.333333 0.5008(4) 0.246(5) Uani 1 3 d DS TU P . .
C17 C 0.666667 0.333333 0.5420(4) 0.247(5) Uani 1 3 d DS TU P . .
H17A H 0.612676 0.331871 0.551618 0.370 Uiso 0.3333 1 d R U P A -1
H17B H 0.719195 0.387324 0.551618 0.370 Uiso 0.3333 1 d R U P A -1
H17C H 0.668129 0.280805 0.551618 0.370 Uiso 0.3333 1 d R U P A -1


_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 Cl1 2.6680(10) 2_655 ?
Sb1 Cl1 2.6682(10) 18_545 ?
Sb1 Cl1 2.6681(10) 17 ?
Sb1 Cl1 2.6681(10) 3_665 ?
Sb1 Cl1 2.6681(10) . ?
Sb1 Cl1 2.6683(10) 16_655 ?
Sb2 Cl2 2.6640(12) 10_776 ?
Sb2 Cl2 2.6640(12) 3_675 ?
Sb2 Cl2 2.6640(12) 12_656 ?
Sb2 Cl2 2.6640(12) 11_566 ?
Sb2 Cl2 2.6640(12) . ?
Sb2 Cl2 2.6640(12) 2_765 ?
N2 C7 1.475(6) . ?
N2 C14 1.377(5) . ?
N2 C13 1.318(6) . ?
N1 C1 1.470(6) . ?
N1 C13 1.325(5) . ?
N1 C15 1.367(5) . ?
C7 H7 0.9800 . ?
C7 C8 1.497(7) . ?
C7 C12 1.491(8) . ?
C1 H1 0.9800 . ?
C1 C2 1.494(7) . ?
C1 C6 1.494(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.337(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.534(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.488(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C2 1.519(8) . ?
C3 C4 1.465(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.535(8) . ?
C5 C4 1.488(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C10 1.485(8) . ?
C11 C12 1.515(8) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13 0.9300 . ?
C15 H15 0.9300 . ?
N3 C16 1.163(8) . ?
C16 C17 1.365(8) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 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
Cl1 Sb1 Cl1 93.37(3) 2_655 3_665 ?
Cl1 Sb1 Cl1 86.64(3) . 18_545 ?
Cl1 Sb1 Cl1 180.0 . 16_655 ?
Cl1 Sb1 Cl1 93.36(3) 2_655 . ?
Cl1 Sb1 Cl1 86.64(3) 2_655 16_655 ?
Cl1 Sb1 Cl1 93.36(3) 3_665 . ?
Cl1 Sb1 Cl1 180.0 3_665 18_545 ?
Cl1 Sb1 Cl1 180.0 2_655 17 ?
Cl1 Sb1 Cl1 93.36(3) 17 18_545 ?
Cl1 Sb1 Cl1 86.63(3) 3_665 17 ?
Cl1 Sb1 Cl1 86.64(3) 3_665 16_655 ?
Cl1 Sb1 Cl1 86.64(3) . 17 ?
Cl1 Sb1 Cl1 93.36(3) 17 16_655 ?
Cl1 Sb1 Cl1 86.63(3) 2_655 18_545 ?
Cl1 Sb1 Cl1 93.36(3) 18_545 16_655 ?
Cl2 Sb2 Cl2 90.22(5) 10_776 11_566 ?
Cl2 Sb2 Cl2 90.22(5) 2_765 3_675 ?
Cl2 Sb2 Cl2 90.22(5) 2_765 . ?
Cl2 Sb2 Cl2 89.78(5) 10_776 2_765 ?
Cl2 Sb2 Cl2 180.0 10_776 . ?
Cl2 Sb2 Cl2 180.00(5) 11_566 2_765 ?
Cl2 Sb2 Cl2 89.78(5) 11_566 3_675 ?
Cl2 Sb2 Cl2 90.22(5) 10_776 12_656 ?
Cl2 Sb2 Cl2 180.0 12_656 3_675 ?
Cl2 Sb2 Cl2 90.22(5) 11_566 12_656 ?
Cl2 Sb2 Cl2 89.78(5) 11_566 . ?
Cl2 Sb2 Cl2 89.78(5) 2_765 12_656 ?
Cl2 Sb2 Cl2 90.22(5) 3_675 . ?
Cl2 Sb2 Cl2 89.78(5) 10_776 3_675 ?
Cl2 Sb2 Cl2 89.78(5) 12_656 . ?
C14 N2 C7 126.8(4) . . ?
C13 N2 C7 125.4(4) . . ?
C13 N2 C14 107.8(4) . . ?
C13 N1 C1 124.6(4) . . ?
C13 N1 C15 107.6(4) . . ?
C15 N1 C1 127.7(4) . . ?
N2 C7 H7 107.9 . . ?
N2 C7 C8 110.6(4) . . ?
N2 C7 C12 110.8(4) . . ?
C8 C7 H7 107.9 . . ?
C12 C7 H7 107.9 . . ?
C12 C7 C8 111.5(5) . . ?
N1 C1 H1 108.0 . . ?
N1 C1 C2 109.9(4) . . ?
N1 C1 C6 111.6(4) . . ?
C2 C1 H1 108.0 . . ?
C6 C1 H1 108.0 . . ?
C6 C1 C2 111.2(5) . . ?
N2 C14 H14 126.4 . . ?
C15 C14 N2 107.1(4) . . ?
C15 C14 H14 126.4 . . ?
C7 C8 H8A 109.7 . . ?
C7 C8 H8B 109.7 . . ?
C7 C8 C9 110.0(5) . . ?
H8A C8 H8B 108.2 . . ?
C9 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
C8 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C10 C9 C8 112.2(5) . . ?
C10 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H3A C3 H3B 107.7 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C4 C3 C2 113.3(6) . . ?
H5A C5 H5B 108.0 . . ?
C6 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C4 C5 C6 111.0(5) . . ?
H11A C11 H11B 108.0 . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C10 C11 C12 111.6(5) . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C1 C2 C3 110.1(5) . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
C3 C2 H2A 109.6 . . ?
C3 C2 H2B 109.6 . . ?
H2A C2 H2B 108.2 . . ?
C1 C6 C5 110.4(5) . . ?
C1 C6 H6A 109.6 . . ?
C1 C6 H6B 109.6 . . ?
C5 C6 H6A 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C11 C10 C9 110.6(5) . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C3 C4 C5 112.2(6) . . ?
C3 C4 H4A 109.2 . . ?
C3 C4 H4B 109.2 . . ?
C5 C4 H4A 109.2 . . ?
C5 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
C7 C12 C11 111.6(5) . . ?
C7 C12 H12A 109.3 . . ?
C7 C12 H12B 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
N2 C13 N1 109.6(4) . . ?
N2 C13 H13 125.2 . . ?
N1 C13 H13 125.2 . . ?
N1 C15 H15 126.1 . . ?
C14 C15 N1 107.8(4) . . ?
C14 C15 H15 126.1 . . ?
N3 C16 C17 180.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
N2 C7 C8 C9 178.2(5) . . . . ?
N2 C7 C12 C11 -178.8(5) . . . . ?
N2 C14 C15 N1 0.4(5) . . . . ?
N1 C1 C2 C3 179.8(5) . . . . ?
N1 C1 C6 C5 -179.3(5) . . . . ?
C7 N2 C14 C15 -178.2(4) . . . . ?
C7 N2 C13 N1 178.1(4) . . . . ?
C7 C8 C9 C10 -55.4(8) . . . . ?
C1 N1 C13 N2 178.7(4) . . . . ?
C1 N1 C15 C14 -178.9(4) . . . . ?
C14 N2 C7 C8 -58.1(6) . . . . ?
C14 N2 C7 C12 66.1(6) . . . . ?
C14 N2 C13 N1 0.3(6) . . . . ?
C8 C7 C12 C11 -55.2(7) . . . . ?
C8 C9 C10 C11 55.9(8) . . . . ?
C2 C1 C6 C5 57.5(7) . . . . ?
C2 C3 C4 C5 -53.4(10) . . . . ?
C6 C1 C2 C3 -56.0(8) . . . . ?
C6 C5 C4 C3 53.4(9) . . . . ?
C10 C11 C12 C7 55.5(8) . . . . ?
C4 C3 C2 C1 54.1(10) . . . . ?
C4 C5 C6 C1 -55.5(8) . . . . ?
C12 C7 C8 C9 54.5(6) . . . . ?
C12 C11 C10 C9 -55.4(8) . . . . ?
C13 N2 C7 C8 124.6(5) . . . . ?
C13 N2 C7 C12 -111.2(6) . . . . ?
C13 N2 C14 C15 -0.4(5) . . . . ?
C13 N1 C1 C2 -100.3(6) . . . . ?
C13 N1 C1 C6 135.8(5) . . . . ?
C13 N1 C15 C14 -0.2(6) . . . . ?
C15 N1 C1 C2 78.2(6) . . . . ?
C15 N1 C1 C6 -45.7(7) . . . . ?
C15 N1 C13 N2 -0.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
