# Electronic Supplementary Material (ESI) for ChemComm.
# 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_432_lf
_database_code_depnum_ccdc_archive 'CCDC 2190859'
loop_
_audit_author_name
_audit_author_address
'Wei Liu'
;Sun Yat sen University
China
;
_audit_update_record             
;
2022-07-17 deposited with the CCDC.	2022-10-13 downloaded from the CCDC.
;
_audit_creation_date             2021-04-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl5 Sb, Cl, 3(C6 H9 N2 O2)'
_chemical_formula_sum            'C18 H27 Cl6 N6 O6 Sb'
_chemical_formula_weight         757.90
_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      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                   20.8758(6)
_cell_length_b                   8.7858(2)
_cell_length_c                   17.7065(4)
_cell_angle_alpha                90
_cell_angle_beta                 114.9260(10)
_cell_angle_gamma                90
_cell_volume                     2945.06(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9967
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      29.931
_cell_measurement_theta_min      2.555
_shelx_estimated_absorpt_T_max   0.928
_shelx_estimated_absorpt_T_min   0.750
_exptl_absorpt_coefficient_mu    1.525
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1530 before and 0.0698 after correction.
The Ratio of minimum to maximum transmission is 0.7133.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_unetI/netI     0.0638
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33856
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.977
_diffrn_reflns_theta_min         2.300
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.970
_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_source_current           1.0
_diffrn_source_power             0.05
_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                6270
_reflns_number_total             8314
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         8314
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0501
_refine_ls_restrained_S_all      1.081
_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)+6.9096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0948
_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, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C14(H14A,H14B), C8(H8A,H8B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C15(H15), C16(H16), C17(H17), C9(H9), C10(H10),
 C11(H11)
2.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C18(H18A,H18B,H18C), C12(H12A,H12B,H12C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2), O3(H3A), O5(H5A)
;
_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 0.20315(2) 0.45174(3) 0.78857(2) 0.02361(7) Uani 1 1 d . . . . .
Cl1 Cl 0.12761(5) 0.52804(12) 0.86646(6) 0.0359(2) Uani 1 1 d . . . . .
Cl2 Cl 0.31084(6) 0.65368(12) 0.86517(6) 0.0387(2) Uani 1 1 d . . . . .
Cl3 Cl 0.27045(5) 0.39394(11) 0.69322(6) 0.0338(2) Uani 1 1 d . . . . .
Cl4 Cl 0.11201(6) 0.25400(12) 0.70421(6) 0.0400(2) Uani 1 1 d . . . . .
Cl5 Cl 0.13953(5) 0.64675(12) 0.69043(6) 0.0372(2) Uani 1 1 d . . . . .
Cl6 Cl 0.28801(6) 0.30271(13) 0.43712(6) 0.0436(3) Uani 1 1 d . . . . .
O1 O 0.42655(14) 0.2499(3) 0.67868(17) 0.0375(6) Uani 1 1 d . . . . .
O2 O 0.38417(16) 0.4614(3) 0.60248(17) 0.0389(7) Uani 1 1 d . . . . .
H2 H 0.368149 0.400101 0.562399 0.058 Uiso 1 1 calc R U . . .
N1 N 0.49128(17) 0.3181(4) 0.94366(19) 0.0313(7) Uani 1 1 d . . . . .
N2 N 0.47507(16) 0.4139(4) 0.82468(19) 0.0290(7) Uani 1 1 d . . . . .
C1 C 0.41765(19) 0.3845(5) 0.6732(2) 0.0303(8) Uani 1 1 d . . . . .
C2 C 0.4434(2) 0.4943(4) 0.7450(2) 0.0345(9) Uani 1 1 d . . . . .
H2A H 0.478790 0.563577 0.739967 0.041 Uiso 1 1 calc R U . . .
H2B H 0.403281 0.556834 0.743154 0.041 Uiso 1 1 calc R U . . .
C3 C 0.4457(2) 0.3914(5) 0.8775(2) 0.0331(9) Uani 1 1 d . . . . .
H3 H 0.399646 0.422729 0.869032 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5512(2) 0.2914(6) 0.9326(3) 0.0425(11) Uani 1 1 d . . . . .
H4 H 0.592382 0.240179 0.970257 0.051 Uiso 1 1 calc R U . . .
C5 C 0.5412(2) 0.3511(6) 0.8585(3) 0.0435(11) Uani 1 1 d . . . . .
H5 H 0.573933 0.349881 0.834168 0.052 Uiso 1 1 calc R U . . .
C6 C 0.4807(3) 0.2731(6) 1.0174(3) 0.0467(11) Uani 1 1 d . . . . .
H6A H 0.437476 0.320409 1.015297 0.070 Uiso 1 1 calc R U . . .
H6B H 0.521150 0.306579 1.067748 0.070 Uiso 1 1 calc R U . . .
H6C H 0.476392 0.162077 1.018344 0.070 Uiso 1 1 calc R U . . .
O3 O 0.38890(17) 0.4776(4) 0.38990(18) 0.0477(8) Uani 1 1 d . . . . .
H3A H 0.353409 0.437326 0.392567 0.072 Uiso 1 1 calc R U . . .
O4 O 0.41442(16) 0.5879(4) 0.29441(18) 0.0489(8) Uani 1 1 d . . . . .
N5 N 0.28226(16) 0.5601(4) 0.17057(19) 0.0298(7) Uani 1 1 d . . . . .
N6 N 0.26416(16) 0.7012(3) 0.06409(19) 0.0291(7) Uani 1 1 d . . . . .
C13 C 0.3714(2) 0.5302(5) 0.3137(2) 0.0355(9) Uani 1 1 d . . . . .
C14 C 0.2942(2) 0.5137(5) 0.2541(2) 0.0352(9) Uani 1 1 d . . . . .
H14A H 0.279497 0.406272 0.253210 0.042 Uiso 1 1 calc R U . . .
H14B H 0.264976 0.577040 0.273707 0.042 Uiso 1 1 calc R U . . .
C15 C 0.29196(19) 0.4698(4) 0.1130(2) 0.0282(8) Uani 1 1 d . . . . .
H15 H 0.304606 0.365204 0.119201 0.034 Uiso 1 1 calc R U . . .
C16 C 0.28013(19) 0.5578(4) 0.0461(2) 0.0284(8) Uani 1 1 d . . . . .
H16 H 0.282401 0.526570 -0.004040 0.034 Uiso 1 1 calc R U . . .
C17 C 0.2660(2) 0.6998(4) 0.1394(2) 0.0330(9) Uani 1 1 d . . . . .
H17 H 0.257103 0.784633 0.166884 0.040 Uiso 1 1 calc R U . . .
C18 C 0.2438(2) 0.8312(5) 0.0060(3) 0.0414(10) Uani 1 1 d . . . . .
H18A H 0.198470 0.809546 -0.040947 0.062 Uiso 1 1 calc R U . . .
H18B H 0.280067 0.847549 -0.014628 0.062 Uiso 1 1 calc R U . . .
H18C H 0.239393 0.922755 0.035055 0.062 Uiso 1 1 calc R U . . .
O5 O 0.09808(15) 0.0048(3) 0.54535(19) 0.0405(7) Uani 1 1 d . . . . .
H5A H 0.064122 -0.048798 0.543527 0.061 Uiso 1 1 calc R U . . .
O6 O 0.01177(16) 0.1668(4) 0.4696(2) 0.0478(8) Uani 1 1 d . . . . .
N3 N 0.10516(16) 0.3736(4) 0.46198(19) 0.0301(7) Uani 1 1 d . . . . .
N4 N 0.06849(17) 0.5291(4) 0.3581(2) 0.0326(7) Uani 1 1 d . . . . .
C7 C 0.0741(2) 0.1326(5) 0.5062(2) 0.0349(9) Uani 1 1 d . . . . .
C8 C 0.1325(2) 0.2376(5) 0.5113(2) 0.0334(9) Uani 1 1 d . . . . .
H8A H 0.160767 0.266640 0.570079 0.040 Uiso 1 1 calc R U . . .
H8B H 0.164004 0.183811 0.491194 0.040 Uiso 1 1 calc R U . . .
C9 C 0.0783(2) 0.5000(5) 0.4848(3) 0.0415(10) Uani 1 1 d . . . . .
H9 H 0.076342 0.515870 0.536860 0.050 Uiso 1 1 calc R U . . .
C10 C 0.0556(2) 0.5961(5) 0.4204(3) 0.0408(10) Uani 1 1 d . . . . .
H10 H 0.034505 0.692831 0.418063 0.049 Uiso 1 1 calc R U . . .
C11 C 0.0980(2) 0.3953(4) 0.3847(2) 0.0312(8) Uani 1 1 d . . . . .
H11 H 0.111987 0.325447 0.353468 0.037 Uiso 1 1 calc R U . . .
C12 C 0.0524(3) 0.5948(5) 0.2760(3) 0.0453(11) Uani 1 1 d . . . . .
H12A H 0.078152 0.539002 0.249635 0.068 Uiso 1 1 calc R U . . .
H12B H 0.066732 0.701999 0.282412 0.068 Uiso 1 1 calc R U . . .
H12C H 0.001522 0.587460 0.241191 0.068 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 Cl1 2.5828(10) . ?
Sb1 Cl2 2.7334(10) . ?
Sb1 Cl3 2.6612(10) . ?
Sb1 Cl4 2.5444(10) . ?
Sb1 Cl5 2.4029(9) . ?
O1 C1 1.195(5) . ?
O2 H2 0.8400 . ?
O2 C1 1.332(5) . ?
N1 C3 1.324(5) . ?
N1 C4 1.366(5) . ?
N1 C6 1.467(5) . ?
N2 C2 1.463(5) . ?
N2 C3 1.331(5) . ?
N2 C5 1.368(5) . ?
C1 C2 1.504(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.344(6) . ?
C5 H5 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
O3 H3A 0.8400 . ?
O3 C13 1.324(5) . ?
O4 C13 1.200(5) . ?
N5 C14 1.451(5) . ?
N5 C15 1.372(5) . ?
N5 C17 1.330(5) . ?
N6 C16 1.375(5) . ?
N6 C17 1.318(5) . ?
N6 C18 1.474(5) . ?
C13 C14 1.517(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15 0.9500 . ?
C15 C16 1.347(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O5 H5A 0.8400 . ?
O5 C7 1.304(5) . ?
O6 C7 1.221(5) . ?
N3 C8 1.447(5) . ?
N3 C9 1.379(5) . ?
N3 C11 1.326(5) . ?
N4 C10 1.373(5) . ?
N4 C11 1.320(5) . ?
N4 C12 1.464(5) . ?
C7 C8 1.501(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9 0.9500 . ?
C9 C10 1.336(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?

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 Cl2 97.25(3) . . ?
Cl1 Sb1 Cl3 173.06(3) . . ?
Cl3 Sb1 Cl2 83.97(3) . . ?
Cl4 Sb1 Cl1 90.97(3) . . ?
Cl4 Sb1 Cl2 171.75(3) . . ?
Cl4 Sb1 Cl3 87.78(3) . . ?
Cl5 Sb1 Cl1 85.72(3) . . ?
Cl5 Sb1 Cl2 89.10(4) . . ?
Cl5 Sb1 Cl3 87.48(3) . . ?
Cl5 Sb1 Cl4 90.78(4) . . ?
C1 O2 H2 109.5 . . ?
C3 N1 C4 108.4(3) . . ?
C3 N1 C6 126.7(4) . . ?
C4 N1 C6 124.9(4) . . ?
C3 N2 C2 126.4(3) . . ?
C3 N2 C5 108.1(3) . . ?
C5 N2 C2 125.5(3) . . ?
O1 C1 O2 125.5(4) . . ?
O1 C1 C2 125.3(4) . . ?
O2 C1 C2 109.2(3) . . ?
N2 C2 C1 111.1(3) . . ?
N2 C2 H2A 109.4 . . ?
N2 C2 H2B 109.4 . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
N1 C3 N2 108.8(3) . . ?
N1 C3 H3 125.6 . . ?
N2 C3 H3 125.6 . . ?
N1 C4 H4 126.4 . . ?
C5 C4 N1 107.3(4) . . ?
C5 C4 H4 126.4 . . ?
N2 C5 H5 126.3 . . ?
C4 C5 N2 107.4(4) . . ?
C4 C5 H5 126.3 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C13 O3 H3A 109.5 . . ?
C15 N5 C14 125.4(3) . . ?
C17 N5 C14 125.9(3) . . ?
C17 N5 C15 108.5(3) . . ?
C16 N6 C18 125.1(3) . . ?
C17 N6 C16 108.6(3) . . ?
C17 N6 C18 126.2(3) . . ?
O3 C13 C14 115.6(4) . . ?
O4 C13 O3 121.3(4) . . ?
O4 C13 C14 123.1(4) . . ?
N5 C14 C13 110.9(3) . . ?
N5 C14 H14A 109.5 . . ?
N5 C14 H14B 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.0 . . ?
N5 C15 H15 126.5 . . ?
C16 C15 N5 107.0(3) . . ?
C16 C15 H15 126.5 . . ?
N6 C16 H16 126.4 . . ?
C15 C16 N6 107.2(3) . . ?
C15 C16 H16 126.4 . . ?
N5 C17 H17 125.6 . . ?
N6 C17 N5 108.8(3) . . ?
N6 C17 H17 125.6 . . ?
N6 C18 H18A 109.5 . . ?
N6 C18 H18B 109.5 . . ?
N6 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C7 O5 H5A 109.5 . . ?
C9 N3 C8 126.4(3) . . ?
C11 N3 C8 125.8(3) . . ?
C11 N3 C9 107.7(3) . . ?
C10 N4 C12 125.9(4) . . ?
C11 N4 C10 108.4(3) . . ?
C11 N4 C12 125.7(3) . . ?
O5 C7 C8 112.2(3) . . ?
O6 C7 O5 125.3(4) . . ?
O6 C7 C8 122.5(4) . . ?
N3 C8 C7 111.6(3) . . ?
N3 C8 H8A 109.3 . . ?
N3 C8 H8B 109.3 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N3 C9 H9 126.3 . . ?
C10 C9 N3 107.5(4) . . ?
C10 C9 H9 126.3 . . ?
N4 C10 H10 126.4 . . ?
C9 C10 N4 107.2(4) . . ?
C9 C10 H10 126.4 . . ?
N3 C11 H11 125.4 . . ?
N4 C11 N3 109.2(3) . . ?
N4 C11 H11 125.4 . . ?
N4 C12 H12A 109.5 . . ?
N4 C12 H12B 109.5 . . ?
N4 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
O1 C1 C2 N2 -5.8(6) . . . . ?
O2 C1 C2 N2 175.0(3) . . . . ?
N1 C4 C5 N2 0.0(5) . . . . ?
C2 N2 C3 N1 -178.1(3) . . . . ?
C2 N2 C5 C4 178.5(4) . . . . ?
C3 N1 C4 C5 0.5(5) . . . . ?
C3 N2 C2 C1 -103.8(4) . . . . ?
C3 N2 C5 C4 -0.4(5) . . . . ?
C4 N1 C3 N2 -0.7(5) . . . . ?
C5 N2 C2 C1 77.6(5) . . . . ?
C5 N2 C3 N1 0.7(5) . . . . ?
C6 N1 C3 N2 178.9(4) . . . . ?
C6 N1 C4 C5 -179.1(4) . . . . ?
O3 C13 C14 N5 -174.1(3) . . . . ?
O4 C13 C14 N5 6.6(6) . . . . ?
N5 C15 C16 N6 0.7(4) . . . . ?
C14 N5 C15 C16 -175.8(3) . . . . ?
C14 N5 C17 N6 175.6(3) . . . . ?
C15 N5 C14 C13 83.9(5) . . . . ?
C15 N5 C17 N6 0.7(4) . . . . ?
C16 N6 C17 N5 -0.3(4) . . . . ?
C17 N5 C14 C13 -90.1(5) . . . . ?
C17 N5 C15 C16 -0.9(4) . . . . ?
C17 N6 C16 C15 -0.3(4) . . . . ?
C18 N6 C16 C15 -176.5(3) . . . . ?
C18 N6 C17 N5 175.9(3) . . . . ?
O5 C7 C8 N3 175.3(3) . . . . ?
O6 C7 C8 N3 -5.2(6) . . . . ?
N3 C9 C10 N4 0.0(5) . . . . ?
C8 N3 C9 C10 -176.9(4) . . . . ?
C8 N3 C11 N4 177.1(3) . . . . ?
C9 N3 C8 C7 80.3(5) . . . . ?
C9 N3 C11 N4 0.4(4) . . . . ?
C10 N4 C11 N3 -0.4(4) . . . . ?
C11 N3 C8 C7 -95.8(4) . . . . ?
C11 N3 C9 C10 -0.2(5) . . . . ?
C11 N4 C10 C9 0.3(5) . . . . ?
C12 N4 C10 C9 -179.6(4) . . . . ?
C12 N4 C11 N3 179.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
