# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_tc2_136_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2335095'
loop_
_audit_author_name
_audit_author_address
'Jesse LeBlanc'
;York University
Canada
;
_audit_update_record             
;
2024-02-25 deposited with the CCDC.	2024-03-31 downloaded from the CCDC.
;
_audit_creation_date             2024-02-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F6 Sb, C36 H34 B N S, 2(C1 H2 Cl2)'
_chemical_formula_sum            'C38 H38 B Cl4 F6 N S Sb'
_chemical_formula_weight         929.11
_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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   8.8950(3)
_cell_length_b                   16.5456(5)
_cell_length_c                   27.2570(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4011.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9808
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      30.075
_cell_measurement_theta_min      2.600
_shelx_estimated_absorpt_T_max   0.949
_shelx_estimated_absorpt_T_min   0.816
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1203 before and 0.0596 after correction.
The Ratio of minimum to maximum transmission is 0.8393.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            58830
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         1.936
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_source                   ?
_diffrn_source_current           20.0
_diffrn_source_power             1.0
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3567
_reflns_number_total             4613
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.823
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.242
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4613
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0575
_refine_ls_restrained_S_all      1.242
_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)+(0.0132P)²+14.3737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1185
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2. Restrained distances
 Cl24-C \\sim Cl1-CA
 with sigma of 0.02
 C-Cl23 \\sim CA-Cl
 with sigma of 0.02
 Cl24-Cl23 \\sim Cl1-Cl
 with sigma of 0.04
3. Others
 Sof(Cl)=Sof(CA)=Sof(HAA)=Sof(HAB)=Sof(Cl1)=1-FVAR(1)
 Sof(Cl24)=Sof(C)=Sof(HA)=Sof(HB)=Sof(Cl23)=FVAR(1)
 Fixed Sof: F1A(0.5) F1B(0.5) F1E(0.5) F2(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C(HA,HB), CA(HAA,HAB)
;
_atom_sites_solution_hydrogens   mixed
_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 1.250000 0.750000 0.75048(2) 0.03997(13) Uani 1 2 d S T P . .
S S 0.750000 0.750000 0.82326(6) 0.0537(5) Uani 1 2 d S T P . .
N1 N 0.750000 0.750000 0.70931(15) 0.0288(10) Uani 1 2 d S T P . .
C20 C 0.6218(5) 0.7740(2) 0.63093(14) 0.0304(9) Uani 1 1 d . . . . .
C2 C 0.7780(5) 0.8230(3) 0.73241(14) 0.0315(9) Uani 1 1 d . . . . .
C3 C 0.750000 0.750000 0.55313(18) 0.0303(11) Uani 1 2 d S T P . .
C4 C 0.8598(5) 0.6918(3) 0.46682(13) 0.0299(8) Uani 1 1 d . . . . .
C5 C 0.7754(5) 0.8299(3) 0.78444(15) 0.0394(11) Uani 1 1 d . . . . .
C6 C 0.6238(5) 0.7751(3) 0.57971(14) 0.0304(9) Uani 1 1 d . . . . .
C7 C 0.8491(5) 0.6069(3) 0.47278(14) 0.0338(9) Uani 1 1 d . . . . .
C8 C 0.9657(5) 0.7222(3) 0.43286(15) 0.0341(9) Uani 1 1 d . . . . .
C9 C 0.9401(5) 0.5560(3) 0.44491(15) 0.0375(10) Uani 1 1 d . . . . .
C10 C 1.0423(5) 0.5857(3) 0.41107(15) 0.0420(11) Uani 1 1 d . . . . .
C11 C 0.750000 0.750000 0.65542(18) 0.0305(11) Uani 1 2 d S T P . .
C12 C 0.8087(6) 0.8925(3) 0.70541(17) 0.0414(11) Uani 1 1 d . . . . .
C13 C 1.0543(6) 0.6682(3) 0.40563(16) 0.0434(11) Uani 1 1 d . . . . .
C14 C 1.1352(8) 0.5301(4) 0.3793(2) 0.0578(16) Uani 1 1 d . . . . .
C15 C 0.7350(7) 0.5684(3) 0.5071(2) 0.0453(12) Uani 1 1 d . . . . .
C16 C 0.9895(7) 0.8112(3) 0.4248(2) 0.0469(12) Uani 1 1 d . . . . .
C17 C 0.8329(7) 0.9648(3) 0.7280(2) 0.0563(15) Uani 1 1 d . . . . .
C18 C 0.8005(7) 0.9052(3) 0.80649(19) 0.0579(15) Uani 1 1 d . . . . .
B B 0.750000 0.750000 0.4953(2) 0.0296(12) Uani 1 2 d S T P . .
C19 C 0.8285(8) 0.9722(4) 0.7792(2) 0.0659(18) Uani 1 1 d . . . . .
F1A F 1.0820(11) 0.6959(6) 0.7276(4) 0.096(3) Uani 0.5 1 d . . P A 1
F F 1.3652(7) 0.6626(4) 0.7512(4) 0.251(5) Uani 1 1 d . . . . .
F1B F 1.2155(14) 0.6998(7) 0.8086(3) 0.124(4) Uani 0.5 1 d . . P A 1
F1E F 1.0827(13) 0.7023(7) 0.7761(7) 0.158(6) Uani 0.5 1 d . . P A 2
Cl24 Cl 1.2175(5) 0.8496(3) 0.5649(7) 0.120(5) Uani 0.591(17) 1 d D . P B 1
C C 1.1791(18) 0.9047(10) 0.6171(7) 0.100(6) Uani 0.591(17) 1 d D . P B 1
HA H 1.144767 0.867553 0.643277 0.120 Uiso 0.591(17) 1 calc R U P B 1
HB H 1.272724 0.931045 0.628566 0.120 Uiso 0.591(17) 1 calc R U P B 1
Cl23 Cl 1.0443(12) 0.9774(6) 0.6078(4) 0.0724(16) Uani 0.591(17) 1 d D . P B 1
F2 F 1.2145(19) 0.7007(8) 0.6930(4) 0.201(8) Uani 0.5 1 d . . P A 2
H6 H 0.541(4) 0.786(2) 0.5643(13) 0.018(10) Uiso 1 1 d . . . . .
H13 H 1.123(6) 0.689(3) 0.3844(17) 0.045(14) Uiso 1 1 d . . . . .
H18 H 0.804(6) 0.908(3) 0.8425(19) 0.059(16) Uiso 1 1 d . . . . .
H9 H 0.928(5) 0.500(3) 0.4459(17) 0.045(14) Uiso 1 1 d . . . . .
H17 H 0.855(5) 1.009(3) 0.7103(16) 0.031(12) Uiso 1 1 d . . . . .
H20 H 0.536(5) 0.792(3) 0.6482(15) 0.035(12) Uiso 1 1 d . . . . .
H16A H 1.037(6) 0.833(3) 0.452(2) 0.055(16) Uiso 1 1 d . . . . .
H15A H 0.761(7) 0.513(4) 0.5132(19) 0.070(18) Uiso 1 1 d . . . . .
H16B H 0.899(7) 0.836(3) 0.421(2) 0.063(18) Uiso 1 1 d . . . . .
H12 H 0.815(5) 0.893(3) 0.6752(17) 0.039(13) Uiso 1 1 d . . . . .
H14A H 1.104(8) 0.532(4) 0.349(3) 0.10(3) Uiso 1 1 d . . . . .
H15B H 0.753(8) 0.586(4) 0.536(2) 0.08(2) Uiso 1 1 d . . . . .
H14B H 1.115(7) 0.475(4) 0.387(2) 0.07(2) Uiso 1 1 d . . . . .
H14C H 1.242(8) 0.540(4) 0.385(2) 0.09(2) Uiso 1 1 d . . . . .
H19 H 0.838(8) 1.025(4) 0.793(2) 0.09(2) Uiso 1 1 d . . . . .
H15C H 0.646(8) 0.570(4) 0.496(2) 0.08(2) Uiso 1 1 d . . . . .
H16C H 1.066(9) 0.819(5) 0.400(3) 0.12(3) Uiso 1 1 d . . . . .
Cl Cl 1.0755(17) 0.9568(10) 0.6021(6) 0.080(3) Uani 0.409(17) 1 d D . P B 2
CA C 1.197(3) 0.8761(11) 0.5938(6) 0.082(8) Uani 0.409(17) 1 d D . P B 2
HAA H 1.154804 0.828223 0.610776 0.098 Uiso 0.409(17) 1 calc R U P B 2
HAB H 1.294254 0.889118 0.609361 0.098 Uiso 0.409(17) 1 calc R U P B 2
Cl1 Cl 1.2278(8) 0.8516(3) 0.5324(3) 0.0598(18) Uani 0.409(17) 1 d D . P B 2


_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 F1A 1.850(8) 2_765 ?
Sb1 F1A 1.850(8) . ?
Sb1 F 1.773(5) 2_765 ?
Sb1 F 1.773(5) . ?
Sb1 F1B 1.816(7) 2_765 ?
Sb1 F1B 1.816(7) . ?
Sb1 F1E 1.824(10) 2_765 ?
Sb1 F1E 1.824(10) . ?
Sb1 F2 1.794(8) . ?
Sb1 F2 1.794(8) 2_765 ?
S C5 1.708(5) . ?
S C5 1.708(5) 2_665 ?
N1 C2 1.384(5) . ?
N1 C2 1.384(4) 2_665 ?
N1 C11 1.469(6) . ?
C20 C6 1.396(5) . ?
C20 C11 1.380(5) . ?
C20 H20 0.94(4) . ?
C2 C5 1.423(5) . ?
C2 C12 1.393(6) . ?
C3 C6 1.399(5) 2_665 ?
C3 C6 1.399(5) . ?
C3 B 1.577(8) . ?
C4 C7 1.416(6) . ?
C4 C8 1.413(6) . ?
C4 B 1.576(5) . ?
C5 C18 1.401(7) . ?
C6 H6 0.87(4) . ?
C7 C9 1.394(6) . ?
C7 C15 1.521(7) . ?
C8 C13 1.403(6) . ?
C8 C16 1.504(7) . ?
C9 C10 1.385(7) . ?
C9 H9 0.93(5) . ?
C10 C13 1.377(7) . ?
C10 C14 1.509(6) . ?
C12 C17 1.362(7) . ?
C12 H12 0.83(5) . ?
C13 H13 0.91(5) . ?
C14 H14A 0.88(7) . ?
C14 H14B 0.96(6) . ?
C14 H14C 0.98(7) . ?
C15 H15A 0.97(6) . ?
C15 H15B 0.87(6) . ?
C15 H15C 0.85(7) . ?
C16 H16A 0.93(5) . ?
C16 H16B 0.91(6) . ?
C16 H16C 0.96(8) . ?
C17 C19 1.401(8) . ?
C17 H17 0.90(4) . ?
C18 C19 1.359(8) . ?
C18 H18 0.98(5) . ?
C19 H19 0.95(7) . ?
F1B F1B 1.77(2) 2_765 ?
Cl24 C 1.724(15) . ?
C HA 0.9900 . ?
C HB 0.9900 . ?
C Cl23 1.717(12) . ?
F2 F2 1.75(3) 2_765 ?
Cl CA 1.731(17) . ?
CA HAA 0.9900 . ?
CA HAB 0.9900 . ?
CA Cl1 1.744(16) . ?

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
F1A Sb1 F1A 140.6(8) 2_765 . ?
F Sb1 F1A 86.1(4) 2_765 . ?
F Sb1 F1A 86.1(4) . 2_765 ?
F Sb1 F1A 94.4(4) . . ?
F Sb1 F1A 94.4(4) 2_765 2_765 ?
F Sb1 F 178.7(8) 2_765 . ?
F Sb1 F1B 73.4(5) 2_765 2_765 ?
F Sb1 F1B 105.4(5) . 2_765 ?
F Sb1 F1B 73.4(5) . . ?
F Sb1 F1B 105.4(5) 2_765 . ?
F Sb1 F1E 82.9(5) . 2_765 ?
F Sb1 F1E 96.6(5) . . ?
F Sb1 F1E 96.6(5) 2_765 2_765 ?
F Sb1 F1E 82.9(5) 2_765 . ?
F Sb1 F2 75.0(5) 2_765 2_765 ?
F Sb1 F2 106.2(6) . 2_765 ?
F Sb1 F2 106.2(6) 2_765 . ?
F Sb1 F2 75.0(5) . . ?
F1B Sb1 F1A 130.7(6) . 2_765 ?
F1B Sb1 F1A 86.4(5) . . ?
F1B Sb1 F1A 86.4(5) 2_765 2_765 ?
F1B Sb1 F1A 130.7(6) 2_765 . ?
F1B Sb1 F1B 58.4(7) 2_765 . ?
F1B Sb1 F1E 47.9(6) 2_765 2_765 ?
F1B Sb1 F1E 90.1(8) . 2_765 ?
F1E Sb1 F1E 134.9(12) 2_765 . ?
F2 Sb1 F1E 132.5(9) 2_765 . ?
F2 Sb1 F1E 89.7(8) . . ?
F2 Sb1 F2 58.4(11) 2_765 . ?
C5 S C5 103.5(3) . 2_665 ?
C2 N1 C2 125.9(4) . 2_665 ?
C2 N1 C11 117.0(2) 2_665 . ?
C2 N1 C11 117.0(2) . . ?
C6 C20 H20 120(3) . . ?
C11 C20 C6 118.5(4) . . ?
C11 C20 H20 121(3) . . ?
N1 C2 C5 121.4(4) . . ?
N1 C2 C12 121.0(4) . . ?
C12 C2 C5 117.6(4) . . ?
C6 C3 C6 117.6(5) . 2_665 ?
C6 C3 B 121.2(2) 2_665 . ?
C6 C3 B 121.2(2) . . ?
C7 C4 B 120.5(3) . . ?
C8 C4 C7 118.2(4) . . ?
C8 C4 B 121.2(3) . . ?
C2 C5 S 123.9(4) . . ?
C18 C5 S 116.3(3) . . ?
C18 C5 C2 119.8(4) . . ?
C20 C6 C3 121.6(4) . . ?
C20 C6 H6 118(2) . . ?
C3 C6 H6 120(2) . . ?
C4 C7 C15 122.1(4) . . ?
C9 C7 C4 119.9(4) . . ?
C9 C7 C15 118.0(4) . . ?
C4 C8 C16 122.5(4) . . ?
C13 C8 C4 119.6(4) . . ?
C13 C8 C16 117.8(4) . . ?
C7 C9 H9 121(3) . . ?
C10 C9 C7 121.9(4) . . ?
C10 C9 H9 117(3) . . ?
C9 C10 C14 121.6(5) . . ?
C13 C10 C9 118.3(4) . . ?
C13 C10 C14 120.0(5) . . ?
C20 C11 N1 118.9(2) . . ?
C20 C11 N1 118.9(2) 2_665 . ?
C20 C11 C20 122.1(5) 2_665 . ?
C2 C12 H12 123(3) . . ?
C17 C12 C2 121.2(4) . . ?
C17 C12 H12 116(3) . . ?
C8 C13 H13 118(3) . . ?
C10 C13 C8 122.0(4) . . ?
C10 C13 H13 120(3) . . ?
C10 C14 H14A 110(5) . . ?
C10 C14 H14B 111(4) . . ?
C10 C14 H14C 110(4) . . ?
H14A C14 H14B 101(6) . . ?
H14A C14 H14C 117(6) . . ?
H14B C14 H14C 108(5) . . ?
C7 C15 H15A 110(4) . . ?
C7 C15 H15B 107(4) . . ?
C7 C15 H15C 112(4) . . ?
H15A C15 H15B 97(5) . . ?
H15A C15 H15C 109(6) . . ?
H15B C15 H15C 120(6) . . ?
C8 C16 H16A 109(3) . . ?
C8 C16 H16B 109(4) . . ?
C8 C16 H16C 110(5) . . ?
H16A C16 H16B 109(5) . . ?
H16A C16 H16C 100(5) . . ?
H16B C16 H16C 119(6) . . ?
C12 C17 C19 121.5(5) . . ?
C12 C17 H17 120(3) . . ?
C19 C17 H17 118(3) . . ?
C5 C18 H18 118(3) . . ?
C19 C18 C5 121.3(5) . . ?
C19 C18 H18 121(3) . . ?
C4 B C3 119.5(2) 2_665 . ?
C4 B C3 119.5(2) . . ?
C4 B C4 121.0(5) . 2_665 ?
C17 C19 H19 118(4) . . ?
C18 C19 C17 118.6(5) . . ?
C18 C19 H19 123(4) . . ?
F1B F1B Sb1 60.8(4) 2_765 . ?
Cl24 C HA 109.0 . . ?
Cl24 C HB 109.0 . . ?
HA C HB 107.8 . . ?
Cl23 C Cl24 112.7(8) . . ?
Cl23 C HA 109.0 . . ?
Cl23 C HB 109.0 . . ?
F2 F2 Sb1 60.8(5) 2_765 . ?
Cl CA HAA 108.8 . . ?
Cl CA HAB 108.8 . . ?
Cl CA Cl1 113.8(10) . . ?
HAA CA HAB 107.7 . . ?
Cl1 CA HAA 108.8 . . ?
Cl1 CA HAB 108.8 . . ?

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
S C5 C18 C19 177.1(5) . . . . ?
N1 C2 C5 S 4.2(6) . . . . ?
N1 C2 C5 C18 -178.3(4) . . . . ?
N1 C2 C12 C17 178.5(5) . . . . ?
C2 N1 C2 C5 -2.2(3) 2_665 . . . ?
C2 N1 C2 C12 178.4(5) 2_665 . . . ?
C2 N1 C11 C20 -82.5(3) . . . . ?
C2 N1 C11 C20 97.5(3) 2_665 . . . ?
C2 N1 C11 C20 -82.5(3) 2_665 . . 2_665 ?
C2 N1 C11 C20 97.5(3) . . . 2_665 ?
C2 C5 C18 C19 -0.5(9) . . . . ?
C2 C12 C17 C19 0.2(9) . . . . ?
C4 C7 C9 C10 0.0(7) . . . . ?
C4 C8 C13 C10 -0.4(7) . . . . ?
C5 S C5 C2 -2.0(3) 2_665 . . . ?
C5 S C5 C18 -179.6(5) 2_665 . . . ?
C5 C2 C12 C17 -1.0(7) . . . . ?
C5 C18 C19 C17 -0.3(10) . . . . ?
C6 C20 C11 N1 178.9(3) . . . . ?
C6 C20 C11 C20 -1.1(3) . . . 2_665 ?
C6 C3 C6 C20 -1.1(3) 2_665 . . . ?
C6 C3 B C4 24.3(3) 2_665 . . . ?
C6 C3 B C4 -155.7(3) 2_665 . . 2_665 ?
C6 C3 B C4 -155.7(3) . . . . ?
C6 C3 B C4 24.3(3) . . . 2_665 ?
C7 C4 C8 C13 1.2(6) . . . . ?
C7 C4 C8 C16 -178.1(5) . . . . ?
C7 C4 B C3 60.9(4) . . . . ?
C7 C4 B C4 -119.1(4) . . . 2_665 ?
C7 C9 C10 C13 0.8(7) . . . . ?
C7 C9 C10 C14 -177.0(5) . . . . ?
C8 C4 C7 C9 -1.0(6) . . . . ?
C8 C4 C7 C15 -177.9(4) . . . . ?
C8 C4 B C3 -122.5(3) . . . . ?
C8 C4 B C4 57.5(3) . . . 2_665 ?
C9 C10 C13 C8 -0.6(8) . . . . ?
C11 N1 C2 C5 177.8(3) . . . . ?
C11 N1 C2 C12 -1.6(5) . . . . ?
C11 C20 C6 C3 2.2(6) . . . . ?
C12 C2 C5 S -176.3(4) . . . . ?
C12 C2 C5 C18 1.2(7) . . . . ?
C12 C17 C19 C18 0.5(11) . . . . ?
C14 C10 C13 C8 177.3(5) . . . . ?
C15 C7 C9 C10 177.0(5) . . . . ?
C16 C8 C13 C10 178.9(5) . . . . ?
B C3 C6 C20 178.9(3) . . . . ?
B C4 C7 C9 175.7(4) . . . . ?
B C4 C7 C15 -1.2(6) . . . . ?
B C4 C8 C13 -175.5(4) . . . . ?
B C4 C8 C16 5.2(7) . . . . ?
F1A Sb1 F1B F1B -143.8(8) . . . 2_765 ?
F1A Sb1 F1B F1B 51.1(10) 2_765 . . 2_765 ?
F Sb1 F1B F1B -58.9(8) 2_765 . . 2_765 ?
F Sb1 F1B F1B 120.6(8) . . . 2_765 ?
F Sb1 F2 F2 -120.3(11) . . . 2_765 ?
F Sb1 F2 F2 60.2(10) 2_765 . . 2_765 ?
F1E Sb1 F2 F2 -55.1(12) 2_765 . . 2_765 ?
F1E Sb1 F2 F2 142.8(10) . . . 2_765 ?

_olex2_submission_special_instructions 'No special instructions were received'
