# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1993358'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;University of Toronto
Canada
;
_audit_update_record             
;
2020-03-29 deposited with the CCDC.	2020-09-18 downloaded from the CCDC.
;
_audit_creation_date             2018-07-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H15 Sb, 2(B C24 F20), 3(C7 H8)'
_chemical_formula_sum            'C79 H39 B2 F40 Sb'
_chemical_formula_weight         1891.47
_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'
F F 0.0171 0.0103 '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                   16.5682(4)
_cell_length_b                   15.2566(4)
_cell_length_c                   28.2917(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.0060(10)
_cell_angle_gamma                90
_cell_volume                     7151.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9327
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.52
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0603 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.9215.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3736
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1016
_diffrn_reflns_av_unetI/netI     0.0583
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            152803
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.737
_diffrn_reflns_theta_min         2.316
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9756
_reflns_number_total             15155
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_refine_diff_density_max         1.012
_refine_diff_density_min         -1.242
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1095
_refine_ls_number_reflns         15155
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.028
_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)+(0.0411P)²+14.1355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1197
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C18, C19, C20, C21, C22, C23, C24
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3. Uiso/Uaniso restraints and constraints
C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20),
 C21(H21), C22(H22), C23(H23), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78)
4.b Fitted hexagon refined as free rotating group:
 C18(C19,C20,C21,C22,C23)
4.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C), C79(H79A,H79B,H79C)
;
_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 0.21249(2) 0.26287(2) 0.39010(2) 0.03256(8) Uani 1 1 d . . . . .
F1 F 0.35750(13) 0.28404(15) 0.61495(8) 0.0350(5) Uani 1 1 d . . . . .
C1 C 0.2536(2) 0.1616(3) 0.45011(14) 0.0305(9) Uani 1 1 d . . . . .
C2 C 0.2898(2) 0.1335(2) 0.40691(13) 0.0259(8) Uani 1 1 d . . . . .
C3 C 0.3463(2) 0.2010(2) 0.39219(13) 0.0266(8) Uani 1 1 d . . . . .
C4 C 0.3447(2) 0.2693(3) 0.42665(13) 0.0268(8) Uani 1 1 d . . . . .
C5 C 0.2870(2) 0.2470(3) 0.46211(13) 0.0277(9) Uani 1 1 d . . . . .
C6 C 0.1984(3) 0.1114(3) 0.48168(17) 0.0462(12) Uani 1 1 d . . . . .
H6A H 0.1554 0.1502 0.4931 0.069 Uiso 1 1 calc GR . . . .
H6B H 0.2289 0.0885 0.5087 0.069 Uiso 1 1 calc GR . . . .
H6C H 0.1745 0.0626 0.4640 0.069 Uiso 1 1 calc GR . . . .
C7 C 0.2787(3) 0.0470(3) 0.38327(16) 0.0374(10) Uani 1 1 d . . . . .
H7A H 0.2216 0.0304 0.3843 0.056 Uiso 1 1 calc GR . . . .
H7B H 0.3109 0.0025 0.3997 0.056 Uiso 1 1 calc GR . . . .
H7C H 0.2965 0.0511 0.3503 0.056 Uiso 1 1 calc GR . . . .
C8 C 0.4032(2) 0.1961(3) 0.35137(14) 0.0371(10) Uani 1 1 d . . . . .
H8A H 0.3873 0.1478 0.3305 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.4581 0.1860 0.3630 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.4016 0.2514 0.3338 0.056 Uiso 1 1 calc GR . . . .
C9 C 0.3993(3) 0.3468(3) 0.42828(15) 0.0395(11) Uani 1 1 d . . . . .
H9A H 0.4339 0.3471 0.4002 0.059 Uiso 1 1 calc GR . . . .
H9B H 0.4330 0.3437 0.4567 0.059 Uiso 1 1 calc GR . . . .
H9C H 0.3670 0.4005 0.4290 0.059 Uiso 1 1 calc GR . . . .
C10 C 0.2718(3) 0.2965(3) 0.50656(14) 0.0395(10) Uani 1 1 d . . . . .
H10A H 0.2745 0.3595 0.5001 0.059 Uiso 1 1 calc GR . . . .
H10B H 0.3127 0.2808 0.5301 0.059 Uiso 1 1 calc GR . . . .
H10C H 0.2181 0.2816 0.5187 0.059 Uiso 1 1 calc GR . . . .
C11 C 0.1183(3) 0.4273(3) 0.41745(17) 0.0420(11) Uani 1 1 d . . . . .
C12 C 0.1981(3) 0.4544(3) 0.41133(16) 0.0393(11) Uani 1 1 d . . . . .
H12 H 0.2287 0.4726 0.4380 0.047 Uiso 1 1 calc R . . . .
C13 C 0.2334(3) 0.4552(3) 0.36664(16) 0.0367(10) Uani 1 1 d . . . . .
H13 H 0.2877 0.4738 0.3630 0.044 Uiso 1 1 calc R . . . .
C14 C 0.1895(3) 0.4288(3) 0.32747(16) 0.0382(10) Uani 1 1 d . . . . .
H14 H 0.2140 0.4283 0.2971 0.046 Uiso 1 1 calc R . . . .
C15 C 0.1098(3) 0.4033(3) 0.33269(16) 0.0404(11) Uani 1 1 d . . . . .
H15 H 0.0791 0.3862 0.3059 0.049 Uiso 1 1 calc R . . . .
C16 C 0.0751(3) 0.4029(3) 0.37748(18) 0.0443(12) Uani 1 1 d . . . . .
H16 H 0.0203 0.3855 0.3808 0.053 Uiso 1 1 calc R . . . .
C17 C 0.0800(4) 0.4228(3) 0.46571(18) 0.0635(16) Uani 1 1 d . . . . .
H17A H 0.0757 0.3614 0.4756 0.095 Uiso 1 1 calc GR . . . .
H17B H 0.0261 0.4490 0.4645 0.095 Uiso 1 1 calc GR . . . .
H17C H 0.1134 0.4551 0.4884 0.095 Uiso 1 1 calc GR . . . .
C18 C 0.4080(3) 0.0945(3) 0.52656(15) 0.1008(16) Uani 1 1 d . U . . .
C19 C 0.4114(3) 0.0451(3) 0.48531(17) 0.0909(15) Uani 1 1 d G U . . .
H19 H 0.3776 -0.0047 0.4817 0.109 Uiso 1 1 calc R . . . .
C20 C 0.4642(3) 0.0687(3) 0.44932(13) 0.0972(16) Uani 1 1 d G U . . .
H20 H 0.4665 0.0350 0.4211 0.117 Uiso 1 1 calc R . . . .
C21 C 0.5137(3) 0.1416(4) 0.45459(17) 0.1118(17) Uani 1 1 d G U . . .
H21 H 0.5498 0.1577 0.4300 0.134 Uiso 1 1 calc R . . . .
C22 C 0.5104(3) 0.1910(3) 0.4958(2) 0.1123(17) Uani 1 1 d G U . . .
H22 H 0.5442 0.2408 0.4994 0.135 Uiso 1 1 calc R . . . .
C23 C 0.4575(3) 0.1674(3) 0.53183(15) 0.1049(17) Uani 1 1 d G U . . .
H23 H 0.4553 0.2011 0.5600 0.126 Uiso 1 1 calc R . . . .
C24 C 0.3620(5) 0.0664(7) 0.5674(3) 0.131(2) Uani 1 1 d . U . . .
H24A H 0.3119 0.1003 0.5693 0.197 Uiso 1 1 calc GR . . . .
H24B H 0.3939 0.0760 0.5961 0.197 Uiso 1 1 calc GR . . . .
H24C H 0.3491 0.0040 0.5644 0.197 Uiso 1 1 calc GR . . . .
C25 C 0.4271(2) 0.4709(2) 0.62693(13) 0.0245(8) Uani 1 1 d . . . . .
C26 C 0.4301(2) 0.4597(2) 0.57803(14) 0.0275(9) Uani 1 1 d . . . . .
C27 C 0.4003(3) 0.5195(3) 0.54613(14) 0.0367(10) Uani 1 1 d . . . . .
C28 C 0.3652(3) 0.5953(3) 0.56150(16) 0.0532(14) Uani 1 1 d . . . . .
C29 C 0.3581(3) 0.6098(3) 0.60928(16) 0.0472(12) Uani 1 1 d . . . . .
C30 C 0.3876(2) 0.5480(3) 0.64012(14) 0.0336(9) Uani 1 1 d . . . . .
C31 C 0.3733(2) 0.3594(2) 0.68753(13) 0.0239(8) Uani 1 1 d . . . . .
C32 C 0.3295(2) 0.3022(3) 0.65910(14) 0.0280(9) Uani 1 1 d . . . . .
C33 C 0.2603(2) 0.2593(3) 0.67208(15) 0.0329(9) Uani 1 1 d . . . . .
C34 C 0.2290(2) 0.2745(3) 0.71632(15) 0.0338(10) Uani 1 1 d . . . . .
C35 C 0.2675(2) 0.3329(3) 0.74534(14) 0.0311(9) Uani 1 1 d . . . . .
C36 C 0.3369(2) 0.3752(2) 0.73054(13) 0.0241(8) Uani 1 1 d . . . . .
C37 C 0.5211(2) 0.3267(2) 0.64706(13) 0.0227(8) Uani 1 1 d . . . . .
C38 C 0.5197(2) 0.2376(2) 0.65620(13) 0.0256(8) Uani 1 1 d . . . . .
C39 C 0.5760(2) 0.1790(3) 0.63899(14) 0.0303(9) Uani 1 1 d . . . . .
C40 C 0.6380(2) 0.2082(3) 0.61140(15) 0.0331(10) Uani 1 1 d . . . . .
C41 C 0.6442(2) 0.2964(3) 0.60184(14) 0.0282(9) Uani 1 1 d . . . . .
C42 C 0.5871(2) 0.3520(2) 0.61998(13) 0.0239(8) Uani 1 1 d . . . . .
C43 C 0.5146(2) 0.4486(2) 0.70966(13) 0.0234(8) Uani 1 1 d . . . . .
C44 C 0.5337(2) 0.4017(3) 0.75015(14) 0.0270(9) Uani 1 1 d . . . . .
C45 C 0.5845(2) 0.4315(3) 0.78524(15) 0.0352(10) Uani 1 1 d . . . . .
C46 C 0.6210(2) 0.5120(3) 0.78091(15) 0.0363(10) Uani 1 1 d . . . . .
C47 C 0.6055(2) 0.5603(3) 0.74148(15) 0.0334(10) Uani 1 1 d . . . . .
C48 C 0.5537(2) 0.5289(2) 0.70700(13) 0.0273(9) Uani 1 1 d . . . . .
C49 C 0.0890(2) 0.7658(3) 0.42659(13) 0.0264(8) Uani 1 1 d . . . . .
C50 C 0.0942(2) 0.6935(3) 0.45576(15) 0.0314(9) Uani 1 1 d . . . . .
C51 C 0.1377(3) 0.6916(3) 0.49751(15) 0.0376(10) Uani 1 1 d . . . . .
C52 C 0.1807(2) 0.7639(3) 0.51138(14) 0.0391(10) Uani 1 1 d . . . . .
C53 C 0.1801(2) 0.8370(3) 0.48332(15) 0.0362(10) Uani 1 1 d . . . . .
C54 C 0.1344(2) 0.8365(3) 0.44265(14) 0.0300(9) Uani 1 1 d . . . . .
C55 C -0.0165(2) 0.6900(2) 0.36235(13) 0.0272(9) Uani 1 1 d . . . . .
C56 C -0.0179(2) 0.6381(3) 0.32229(14) 0.0294(9) Uani 1 1 d . . . . .
C57 C -0.0731(3) 0.5718(3) 0.31405(15) 0.0365(10) Uani 1 1 d . . . . .
C58 C -0.1323(2) 0.5546(3) 0.34677(16) 0.0372(10) Uani 1 1 d . . . . .
C59 C -0.1350(2) 0.6043(3) 0.38684(15) 0.0325(9) Uani 1 1 d . . . . .
C60 C -0.0791(2) 0.6699(3) 0.39368(14) 0.0294(9) Uani 1 1 d . . . . .
C61 C 0.1245(2) 0.7775(2) 0.33827(13) 0.0262(8) Uani 1 1 d . . . . .
C62 C 0.1719(2) 0.7028(3) 0.33229(14) 0.0303(9) Uani 1 1 d . . . . .
C63 C 0.2395(2) 0.6984(3) 0.30381(14) 0.0343(10) Uani 1 1 d . . . . .
C64 C 0.2656(2) 0.7727(3) 0.28115(15) 0.0368(10) Uani 1 1 d . . . . .
C65 C 0.2241(2) 0.8488(3) 0.28712(15) 0.0339(10) Uani 1 1 d . . . . .
C66 C 0.1554(2) 0.8500(3) 0.31515(14) 0.0292(9) Uani 1 1 d . . . . .
C67 C -0.0149(2) 0.8593(2) 0.36899(14) 0.0263(8) Uani 1 1 d . . . . .
C68 C -0.0429(2) 0.8853(3) 0.32497(14) 0.0295(9) Uani 1 1 d . . . . .
C69 C -0.0961(2) 0.9528(3) 0.31720(15) 0.0332(9) Uani 1 1 d . . . . .
C70 C -0.1267(2) 0.9984(3) 0.35501(16) 0.0346(10) Uani 1 1 d . . . . .
C71 C -0.1023(2) 0.9752(3) 0.39963(15) 0.0336(10) Uani 1 1 d . . . . .
C72 C -0.0482(2) 0.9076(2) 0.40602(14) 0.0295(9) Uani 1 1 d . . . . .
C73 C 0.0429(3) 0.7298(4) 0.1569(2) 0.0567(13) Uani 1 1 d . . . . .
C74 C 0.0460(3) 0.7202(3) 0.10865(19) 0.0570(14) Uani 1 1 d . . . . .
H74 H 0.0853 0.7523 0.0914 0.068 Uiso 1 1 calc R . . . .
C75 C -0.0054(4) 0.6662(4) 0.0845(2) 0.0686(17) Uani 1 1 d . . . . .
H75 H -0.0027 0.6609 0.0511 0.082 Uiso 1 1 calc R . . . .
C76 C -0.0617(4) 0.6191(4) 0.1108(3) 0.0735(19) Uani 1 1 d . . . . .
H76 H -0.0970 0.5796 0.0951 0.088 Uiso 1 1 calc R . . . .
C77 C -0.0669(3) 0.6285(4) 0.1568(3) 0.0690(18) Uani 1 1 d . . . . .
H77 H -0.1065 0.5962 0.1737 0.083 Uiso 1 1 calc R . . . .
C78 C -0.0160(3) 0.6846(4) 0.18134(19) 0.0610(15) Uani 1 1 d . . . . .
H78 H -0.0216 0.6918 0.2145 0.073 Uiso 1 1 calc R . . . .
C79 C 0.1018(4) 0.7848(5) 0.1834(3) 0.114(3) Uani 1 1 d . . . . .
H79A H 0.0800 0.8441 0.1871 0.171 Uiso 1 1 calc GR . . . .
H79B H 0.1528 0.7875 0.1659 0.171 Uiso 1 1 calc GR . . . .
H79C H 0.1113 0.7590 0.2146 0.171 Uiso 1 1 calc GR . . . .
B1 B 0.4585(2) 0.4025(3) 0.66775(15) 0.0232(9) Uani 1 1 d . . . . .
F2 F 0.22376(13) 0.20316(17) 0.64243(9) 0.0439(6) Uani 1 1 d . . . . .
B2 B 0.0450(3) 0.7731(3) 0.37407(15) 0.0261(9) Uani 1 1 d . . . . .
F3 F 0.16274(14) 0.23199(18) 0.73135(9) 0.0507(7) Uani 1 1 d . . . . .
F4 F 0.23674(14) 0.34817(17) 0.78912(8) 0.0441(6) Uani 1 1 d . . . . .
F5 F 0.36874(12) 0.43301(14) 0.76171(7) 0.0301(5) Uani 1 1 d . . . . .
F6 F 0.46094(13) 0.20138(14) 0.68287(8) 0.0331(5) Uani 1 1 d . . . . .
F7 F 0.56974(15) 0.09265(14) 0.64886(9) 0.0455(6) Uani 1 1 d . . . . .
F8 F 0.69312(15) 0.15221(16) 0.59400(10) 0.0500(7) Uani 1 1 d . . . . .
F9 F 0.70585(13) 0.32703(16) 0.57549(8) 0.0398(6) Uani 1 1 d . . . . .
F10 F 0.59792(12) 0.43871(13) 0.61016(7) 0.0297(5) Uani 1 1 d . . . . .
F11 F 0.50252(13) 0.32094(14) 0.75650(8) 0.0317(5) Uani 1 1 d . . . . .
F12 F 0.59864(16) 0.38193(18) 0.82421(9) 0.0507(7) Uani 1 1 d . . . . .
F13 F 0.67106(16) 0.54245(19) 0.81461(9) 0.0549(7) Uani 1 1 d . . . . .
F14 F 0.64192(15) 0.63937(16) 0.73554(9) 0.0469(7) Uani 1 1 d . . . . .
F15 F 0.54419(15) 0.58268(15) 0.66952(8) 0.0392(6) Uani 1 1 d . . . . .
F16 F 0.37743(15) 0.56500(16) 0.68659(8) 0.0428(6) Uani 1 1 d . . . . .
F17 F 0.3220(2) 0.6825(2) 0.62540(10) 0.0828(12) Uani 1 1 d . . . . .
F18 F 0.3375(2) 0.6535(2) 0.52971(10) 0.0853(12) Uani 1 1 d . . . . .
F19 F 0.40546(16) 0.50420(17) 0.49895(8) 0.0489(7) Uani 1 1 d . . . . .
F20 F 0.46195(13) 0.38679(14) 0.55851(7) 0.0327(5) Uani 1 1 d . . . . .
F21 F 0.13596(14) 0.91143(14) 0.41709(8) 0.0376(6) Uani 1 1 d . . . . .
F22 F 0.22481(14) 0.90734(17) 0.49495(9) 0.0468(6) Uani 1 1 d . . . . .
F23 F 0.22205(16) 0.7647(2) 0.55228(9) 0.0554(7) Uani 1 1 d . . . . .
F24 F 0.13816(17) 0.61869(18) 0.52449(9) 0.0553(7) Uani 1 1 d . . . . .
F25 F 0.05595(14) 0.61758(15) 0.44462(8) 0.0394(6) Uani 1 1 d . . . . .
F26 F 0.11955(13) 0.92958(14) 0.31895(8) 0.0346(5) Uani 1 1 d . . . . .
F27 F 0.24939(15) 0.92286(17) 0.26599(9) 0.0491(7) Uani 1 1 d . . . . .
F28 F 0.33217(14) 0.76877(19) 0.25385(9) 0.0528(7) Uani 1 1 d . . . . .
F29 F 0.27983(14) 0.62198(17) 0.29908(9) 0.0456(6) Uani 1 1 d . . . . .
F30 F 0.15069(13) 0.62800(14) 0.35499(8) 0.0361(6) Uani 1 1 d . . . . .
F31 F 0.03662(14) 0.64946(15) 0.28719(8) 0.0390(6) Uani 1 1 d . . . . .
F32 F -0.06974(16) 0.52411(17) 0.27388(9) 0.0509(7) Uani 1 1 d . . . . .
F33 F -0.18741(16) 0.49152(17) 0.33915(10) 0.0548(7) Uani 1 1 d . . . . .
F34 F -0.19326(15) 0.58929(17) 0.41929(9) 0.0492(7) Uani 1 1 d . . . . .
F35 F -0.08675(13) 0.71723(14) 0.43417(8) 0.0361(6) Uani 1 1 d . . . . .
F36 F -0.01626(13) 0.84231(14) 0.28582(8) 0.0329(5) Uani 1 1 d . . . . .
F37 F -0.11913(15) 0.97436(17) 0.27307(9) 0.0471(6) Uani 1 1 d . . . . .
F38 F -0.17908(15) 1.06419(16) 0.34848(10) 0.0516(7) Uani 1 1 d . . . . .
F39 F -0.13158(15) 1.01858(16) 0.43744(9) 0.0472(7) Uani 1 1 d . . . . .
F40 F -0.02846(14) 0.89029(15) 0.45152(8) 0.0378(6) 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 C1 2.394(4) . ?
Sb1 C2 2.400(4) . ?
Sb1 C3 2.411(4) . ?
Sb1 C4 2.424(4) . ?
Sb1 C5 2.394(4) . ?
F1 C32 1.361(4) . ?
C1 C2 1.427(5) . ?
C1 C5 1.455(5) . ?
C1 C6 1.491(5) . ?
C2 C3 1.452(5) . ?
C2 C7 1.492(5) . ?
C3 C4 1.427(5) . ?
C3 C8 1.493(5) . ?
C4 C5 1.427(5) . ?
C4 C9 1.490(5) . ?
C5 C10 1.488(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.395(6) . ?
C11 C16 1.390(7) . ?
C11 C17 1.507(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.393(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.384(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.384(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(6) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.3900 . ?
C18 C23 1.3900 . ?
C18 C24 1.450(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C23 1.3900 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.395(5) . ?
C25 C30 1.397(5) . ?
C25 B1 1.642(6) . ?
C26 C27 1.375(5) . ?
C26 F20 1.349(4) . ?
C27 C28 1.366(6) . ?
C27 F19 1.358(4) . ?
C28 C29 1.375(6) . ?
C28 F18 1.343(5) . ?
C29 C30 1.374(6) . ?
C29 F17 1.340(5) . ?
C30 F16 1.350(4) . ?
C31 C32 1.391(5) . ?
C31 C36 1.379(5) . ?
C31 B1 1.654(5) . ?
C32 C33 1.371(5) . ?
C33 C34 1.374(6) . ?
C33 F2 1.343(4) . ?
C34 C35 1.369(6) . ?
C34 F3 1.345(4) . ?
C35 C36 1.384(5) . ?
C35 F4 1.359(4) . ?
C36 F5 1.354(4) . ?
C37 C38 1.383(5) . ?
C37 C42 1.389(5) . ?
C37 B1 1.660(5) . ?
C38 C39 1.381(5) . ?
C38 F6 1.350(4) . ?
C39 C40 1.367(5) . ?
C39 F7 1.350(4) . ?
C40 C41 1.375(6) . ?
C40 F8 1.344(4) . ?
C41 C42 1.371(5) . ?
C41 F9 1.349(4) . ?
C42 F10 1.363(4) . ?
C43 C44 1.387(5) . ?
C43 C48 1.388(5) . ?
C43 B1 1.662(6) . ?
C44 C45 1.378(6) . ?
C44 F11 1.349(4) . ?
C45 C46 1.374(6) . ?
C45 F12 1.357(5) . ?
C46 C47 1.361(6) . ?
C46 F13 1.346(5) . ?
C47 C48 1.385(5) . ?
C47 F14 1.359(5) . ?
C48 F15 1.350(4) . ?
C49 C50 1.381(5) . ?
C49 C54 1.391(5) . ?
C49 B2 1.659(6) . ?
C50 C51 1.384(6) . ?
C50 F25 1.358(4) . ?
C51 C52 1.370(6) . ?
C51 F24 1.349(5) . ?
C52 C53 1.369(6) . ?
C52 F23 1.345(5) . ?
C53 C54 1.377(6) . ?
C53 F22 1.345(5) . ?
C54 F21 1.353(4) . ?
C55 C56 1.383(5) . ?
C55 C60 1.399(5) . ?
C55 B2 1.659(6) . ?
C56 C57 1.383(6) . ?
C56 F31 1.354(4) . ?
C57 C58 1.374(6) . ?
C57 F32 1.350(5) . ?
C58 C59 1.365(6) . ?
C58 F33 1.343(5) . ?
C59 C60 1.377(5) . ?
C59 F34 1.352(4) . ?
C60 F35 1.360(4) . ?
C61 C62 1.394(5) . ?
C61 C66 1.384(5) . ?
C61 B2 1.664(5) . ?
C62 C63 1.381(5) . ?
C62 F30 1.356(4) . ?
C63 C64 1.373(6) . ?
C63 F29 1.350(5) . ?
C64 C65 1.360(6) . ?
C64 F28 1.348(4) . ?
C65 C66 1.387(5) . ?
C65 F27 1.345(4) . ?
C66 F26 1.356(4) . ?
C67 C68 1.387(6) . ?
C67 C72 1.395(5) . ?
C67 B2 1.653(6) . ?
C68 C69 1.374(6) . ?
C68 F36 1.360(4) . ?
C69 C70 1.373(6) . ?
C69 F37 1.346(5) . ?
C70 C71 1.372(6) . ?
C70 F38 1.339(4) . ?
C71 C72 1.380(6) . ?
C71 F39 1.348(4) . ?
C72 F40 1.354(5) . ?
C73 C74 1.373(7) . ?
C73 C78 1.382(7) . ?
C73 C79 1.490(8) . ?
C74 H74 0.9500 . ?
C74 C75 1.367(8) . ?
C75 H75 0.9500 . ?
C75 C76 1.393(9) . ?
C76 H76 0.9500 . ?
C76 C77 1.312(9) . ?
C77 H77 0.9500 . ?
C77 C78 1.388(8) . ?
C78 H78 0.9500 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 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
C1 Sb1 C2 34.64(13) . . ?
C1 Sb1 C3 57.87(13) . . ?
C1 Sb1 C4 57.75(13) . . ?
C2 Sb1 C3 35.13(12) . . ?
C2 Sb1 C4 57.74(13) . . ?
C3 Sb1 C4 34.34(12) . . ?
C5 Sb1 C1 35.39(13) . . ?
C5 Sb1 C2 58.23(13) . . ?
C5 Sb1 C3 57.70(12) . . ?
C5 Sb1 C4 34.46(12) . . ?
C2 C1 Sb1 72.9(2) . . ?
C2 C1 C5 108.0(3) . . ?
C2 C1 C6 128.1(4) . . ?
C5 C1 Sb1 72.3(2) . . ?
C5 C1 C6 123.6(4) . . ?
C6 C1 Sb1 125.6(3) . . ?
C1 C2 Sb1 72.4(2) . . ?
C1 C2 C3 107.7(3) . . ?
C1 C2 C7 126.7(4) . . ?
C3 C2 Sb1 72.8(2) . . ?
C3 C2 C7 125.3(3) . . ?
C7 C2 Sb1 125.0(3) . . ?
C2 C3 Sb1 72.0(2) . . ?
C2 C3 C8 126.5(3) . . ?
C4 C3 Sb1 73.3(2) . . ?
C4 C3 C2 108.0(3) . . ?
C4 C3 C8 125.2(3) . . ?
C8 C3 Sb1 125.5(3) . . ?
C3 C4 Sb1 72.3(2) . . ?
C3 C4 C5 108.6(3) . . ?
C3 C4 C9 126.1(3) . . ?
C5 C4 Sb1 71.6(2) . . ?
C5 C4 C9 125.0(3) . . ?
C9 C4 Sb1 126.4(3) . . ?
C1 C5 Sb1 72.3(2) . . ?
C1 C5 C10 125.9(3) . . ?
C4 C5 Sb1 73.9(2) . . ?
C4 C5 C1 107.6(3) . . ?
C4 C5 C10 126.0(4) . . ?
C10 C5 Sb1 125.5(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C17 121.6(5) . . ?
C16 C11 C12 117.8(4) . . ?
C16 C11 C17 120.5(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.8(4) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.8(4) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.5(4) . . ?
C16 C15 H15 120.2 . . ?
C11 C16 C15 121.7(4) . . ?
C11 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C23 120.0 . . ?
C19 C18 C24 122.0(6) . . ?
C23 C18 C24 117.5(6) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 H23 120.0 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 112.7(3) . . ?
C26 C25 B1 127.5(3) . . ?
C30 C25 B1 119.8(3) . . ?
C27 C26 C25 123.8(4) . . ?
F20 C26 C25 121.4(3) . . ?
F20 C26 C27 114.8(3) . . ?
C28 C27 C26 120.4(4) . . ?
F19 C27 C26 120.6(4) . . ?
F19 C27 C28 119.0(4) . . ?
C27 C28 C29 119.0(4) . . ?
F18 C28 C27 119.4(4) . . ?
F18 C28 C29 121.6(4) . . ?
C30 C29 C28 118.9(4) . . ?
F17 C29 C28 120.4(4) . . ?
F17 C29 C30 120.7(4) . . ?
C29 C30 C25 125.1(4) . . ?
F16 C30 C25 118.7(3) . . ?
F16 C30 C29 116.2(4) . . ?
C32 C31 B1 119.9(3) . . ?
C36 C31 C32 113.0(3) . . ?
C36 C31 B1 127.0(3) . . ?
F1 C32 C31 118.8(3) . . ?
F1 C32 C33 115.7(3) . . ?
C33 C32 C31 125.5(4) . . ?
C32 C33 C34 118.6(4) . . ?
F2 C33 C32 120.9(4) . . ?
F2 C33 C34 120.5(3) . . ?
C35 C34 C33 118.7(4) . . ?
F3 C34 C33 121.0(4) . . ?
F3 C34 C35 120.3(4) . . ?
C34 C35 C36 120.6(4) . . ?
F4 C35 C34 118.9(3) . . ?
F4 C35 C36 120.5(4) . . ?
C31 C36 C35 123.3(4) . . ?
F5 C36 C31 121.2(3) . . ?
F5 C36 C35 115.5(3) . . ?
C38 C37 C42 113.0(3) . . ?
C38 C37 B1 127.4(3) . . ?
C42 C37 B1 119.5(3) . . ?
C39 C38 C37 123.9(3) . . ?
F6 C38 C37 121.3(3) . . ?
F6 C38 C39 114.7(3) . . ?
C40 C39 C38 119.9(4) . . ?
F7 C39 C38 120.5(3) . . ?
F7 C39 C40 119.6(3) . . ?
C39 C40 C41 119.2(3) . . ?
F8 C40 C39 120.8(4) . . ?
F8 C40 C41 120.0(3) . . ?
C42 C41 C40 118.8(3) . . ?
F9 C41 C40 120.3(3) . . ?
F9 C41 C42 121.0(3) . . ?
C41 C42 C37 125.2(3) . . ?
F10 C42 C37 119.1(3) . . ?
F10 C42 C41 115.7(3) . . ?
C44 C43 C48 113.1(3) . . ?
C44 C43 B1 119.9(3) . . ?
C48 C43 B1 126.6(3) . . ?
C45 C44 C43 124.4(4) . . ?
F11 C44 C43 119.6(3) . . ?
F11 C44 C45 116.1(3) . . ?
C46 C45 C44 119.9(4) . . ?
F12 C45 C44 120.4(4) . . ?
F12 C45 C46 119.7(4) . . ?
C47 C46 C45 118.3(4) . . ?
F13 C46 C45 121.1(4) . . ?
F13 C46 C47 120.7(4) . . ?
C46 C47 C48 120.4(4) . . ?
F14 C47 C46 119.9(4) . . ?
F14 C47 C48 119.7(4) . . ?
C47 C48 C43 123.8(4) . . ?
F15 C48 C43 121.7(3) . . ?
F15 C48 C47 114.5(3) . . ?
C50 C49 C54 113.0(4) . . ?
C50 C49 B2 128.0(4) . . ?
C54 C49 B2 118.6(3) . . ?
C49 C50 C51 124.0(4) . . ?
F25 C50 C49 120.9(4) . . ?
F25 C50 C51 115.0(4) . . ?
C52 C51 C50 119.9(4) . . ?
F24 C51 C50 120.2(4) . . ?
F24 C51 C52 119.9(4) . . ?
C53 C52 C51 119.1(4) . . ?
F23 C52 C51 121.2(4) . . ?
F23 C52 C53 119.7(4) . . ?
C52 C53 C54 118.9(4) . . ?
F22 C53 C52 120.3(4) . . ?
F22 C53 C54 120.8(4) . . ?
C53 C54 C49 125.1(4) . . ?
F21 C54 C49 119.4(4) . . ?
F21 C54 C53 115.5(4) . . ?
C56 C55 C60 112.4(3) . . ?
C56 C55 B2 127.7(3) . . ?
C60 C55 B2 119.7(3) . . ?
C57 C56 C55 124.7(4) . . ?
F31 C56 C55 121.0(3) . . ?
F31 C56 C57 114.3(3) . . ?
C58 C57 C56 119.9(4) . . ?
F32 C57 C56 120.5(4) . . ?
F32 C57 C58 119.6(4) . . ?
C59 C58 C57 118.4(4) . . ?
F33 C58 C57 120.9(4) . . ?
F33 C58 C59 120.6(4) . . ?
C58 C59 C60 120.0(4) . . ?
F34 C59 C58 119.5(4) . . ?
F34 C59 C60 120.5(4) . . ?
C59 C60 C55 124.7(4) . . ?
F35 C60 C55 119.1(3) . . ?
F35 C60 C59 116.2(3) . . ?
C62 C61 B2 119.1(3) . . ?
C66 C61 C62 112.9(3) . . ?
C66 C61 B2 127.8(3) . . ?
C63 C62 C61 124.5(4) . . ?
F30 C62 C61 119.0(3) . . ?
F30 C62 C63 116.4(3) . . ?
C64 C63 C62 119.2(4) . . ?
F29 C63 C62 120.1(4) . . ?
F29 C63 C64 120.7(3) . . ?
C65 C64 C63 119.2(4) . . ?
F28 C64 C63 119.3(4) . . ?
F28 C64 C65 121.5(4) . . ?
C64 C65 C66 119.8(4) . . ?
F27 C65 C64 120.3(4) . . ?
F27 C65 C66 119.9(4) . . ?
C61 C66 C65 124.3(4) . . ?
F26 C66 C61 121.1(3) . . ?
F26 C66 C65 114.7(3) . . ?
C68 C67 C72 113.0(4) . . ?
C68 C67 B2 120.4(3) . . ?
C72 C67 B2 126.3(4) . . ?
C69 C68 C67 125.0(4) . . ?
F36 C68 C67 119.0(3) . . ?
F36 C68 C69 116.1(4) . . ?
C70 C69 C68 119.5(4) . . ?
F37 C69 C68 120.9(4) . . ?
F37 C69 C70 119.6(4) . . ?
C71 C70 C69 118.5(4) . . ?
F38 C70 C69 120.8(4) . . ?
F38 C70 C71 120.7(4) . . ?
C70 C71 C72 120.3(4) . . ?
F39 C71 C70 119.9(4) . . ?
F39 C71 C72 119.8(4) . . ?
C71 C72 C67 123.7(4) . . ?
F40 C72 C67 121.0(3) . . ?
F40 C72 C71 115.3(3) . . ?
C74 C73 C78 118.1(5) . . ?
C74 C73 C79 122.5(6) . . ?
C78 C73 C79 119.4(6) . . ?
C73 C74 H74 118.8 . . ?
C75 C74 C73 122.5(5) . . ?
C75 C74 H74 118.8 . . ?
C74 C75 H75 121.3 . . ?
C74 C75 C76 117.5(6) . . ?
C76 C75 H75 121.3 . . ?
C75 C76 H76 119.4 . . ?
C77 C76 C75 121.1(6) . . ?
C77 C76 H76 119.4 . . ?
C76 C77 H77 119.2 . . ?
C76 C77 C78 121.6(5) . . ?
C78 C77 H77 119.2 . . ?
C73 C78 C77 119.1(5) . . ?
C73 C78 H78 120.5 . . ?
C77 C78 H78 120.5 . . ?
C73 C79 H79A 109.5 . . ?
C73 C79 H79B 109.5 . . ?
C73 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C25 B1 C31 102.7(3) . . ?
C25 B1 C37 113.2(3) . . ?
C25 B1 C43 114.2(3) . . ?
C31 B1 C37 112.1(3) . . ?
C31 B1 C43 113.8(3) . . ?
C37 B1 C43 101.4(3) . . ?
C49 B2 C61 101.5(3) . . ?
C55 B2 C49 113.5(3) . . ?
C55 B2 C61 113.3(3) . . ?
C67 B2 C49 113.2(3) . . ?
C67 B2 C55 102.8(3) . . ?
C67 B2 C61 113.0(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 1993360'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;University of Toronto
Canada
;
_audit_update_record             
;
2020-03-29 deposited with the CCDC.	2020-09-18 downloaded from the CCDC.
;
_audit_creation_date             2020-03-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C20 H16 N4 Sb, 3(C F3 O3 S), 0.5(C4 H10 O)'
_chemical_formula_sum            'C25 H21 F9 N4 O9.50 S3 Sb'
_chemical_formula_weight         918.39
_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'
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'
O O 0.0106 0.0060 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1010(4)
_cell_length_b                   13.2750(6)
_cell_length_c                   13.8328(6)
_cell_angle_alpha                81.615(2)
_cell_angle_beta                 86.390(2)
_cell_angle_gamma                84.352(2)
_cell_volume                     1643.32(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0488 before and 0.0435 after correction.
The Ratio of minimum to maximum transmission is 0.9380.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             910
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26237
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_min         2.619
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6611
_reflns_number_total             7241
_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, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_molecular_graphics    ortep3
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_refine_diff_density_max         2.212
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         7241
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.039
_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)+(0.0551P)²+2.4929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0929
_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
 O1S-C2S \\sim O1S-C3S
 with sigma of 0.005
 C1S-C2S \\sim C3S-C4S
 with sigma of 0.005
 O1S-C4S \\sim O1S-C1S
 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
O1S \\sim C1S \\sim C2S \\sim C3S \\sim C4S: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
F1A \\sim F2A \\sim F3A: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01
F1B \\sim F2B \\sim F3B: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(O1S) \\sim Ueq, Uanis(C1S) \\sim Ueq, Uanis(C2S) \\sim Ueq, Uanis(C3S)
\\sim Ueq, Uanis(C4S) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
: with sigma of 0.005 and sigma for terminal atoms of 0.01
: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Sof(F1B)=Sof(F2B)=Sof(F3B)=1-FVAR(1)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=FVAR(1)
 Fixed Sof: O1S(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) H1SC(0.5) C2S(0.5) H2SA(0.5)
 H2SB(0.5) C3S(0.5) H3SA(0.5) H3SB(0.5) C4S(0.5) H4SA(0.5) H4SB(0.5) H4SC(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C2S(H2SA,H2SB), C3S(H3SA,H3SB)
5.b Me refined with riding coordinates:
 C1S(H1SA,H1SB,H1SC), C4S(H4SA,H4SB,H4SC)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C13(H13), C14(H14), C17(H17), C18(H18), C19(H19), C20(H20)
;
_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 0.32387(2) 0.38089(2) 0.34050(2) 0.01481(7) Uani 1 1 d . . . . .
N1 N 0.3588(3) 0.21011(18) 0.36822(17) 0.0189(5) Uani 1 1 d . . . . .
N2 N 0.1052(3) 0.31828(19) 0.40958(17) 0.0185(5) Uani 1 1 d . . . . .
N3 N 0.2808(3) 0.34037(18) 0.19418(17) 0.0178(5) Uani 1 1 d . . . . .
N4 N 0.5419(2) 0.37928(18) 0.24924(17) 0.0177(5) Uani 1 1 d . . . . .
C1 C 0.4842(4) 0.1574(2) 0.3385(2) 0.0283(7) Uani 1 1 d . . . . .
H1 H 0.5608 0.1939 0.3044 0.034 Uiso 1 1 calc R . . . .
C2 C 0.5040(4) 0.0524(3) 0.3563(3) 0.0354(8) Uani 1 1 d . . . . .
H2 H 0.5920 0.0169 0.3333 0.043 Uiso 1 1 calc R . . . .
C3 C 0.3939(4) -0.0007(3) 0.4081(3) 0.0342(8) Uani 1 1 d . . . . .
H3 H 0.4058 -0.0732 0.4216 0.041 Uiso 1 1 calc R . . . .
C4 C 0.2675(4) 0.0523(2) 0.4396(2) 0.0285(7) Uani 1 1 d . . . . .
H4 H 0.1914 0.0167 0.4756 0.034 Uiso 1 1 calc R . . . .
C5 C 0.2511(3) 0.1583(2) 0.4189(2) 0.0192(5) Uani 1 1 d . . . . .
C6 C 0.1164(3) 0.2192(2) 0.4493(2) 0.0193(5) Uani 1 1 d . . . . .
C7 C 0.0084(3) 0.1791(2) 0.5156(2) 0.0264(6) Uani 1 1 d . . . . .
H7 H 0.0181 0.1093 0.5439 0.032 Uiso 1 1 calc R . . . .
C8 C -0.1136(3) 0.2436(3) 0.5394(2) 0.0293(7) Uani 1 1 d . . . . .
H8 H -0.1903 0.2176 0.5829 0.035 Uiso 1 1 calc R . . . .
C9 C -0.1236(3) 0.3459(3) 0.4999(2) 0.0260(6) Uani 1 1 d . . . . .
H9 H -0.2059 0.3909 0.5166 0.031 Uiso 1 1 calc R . . . .
C10 C -0.0115(3) 0.3813(2) 0.4357(2) 0.0217(6) Uani 1 1 d . . . . .
H10 H -0.0167 0.4517 0.4093 0.026 Uiso 1 1 calc R . . . .
C11 C 0.1476(3) 0.3152(2) 0.1729(2) 0.0223(6) Uani 1 1 d . . . . .
H11 H 0.0699 0.3124 0.2221 0.027 Uiso 1 1 calc R . . . .
C12 C 0.1219(4) 0.2936(3) 0.0814(2) 0.0281(7) Uani 1 1 d . . . . .
H12 H 0.0274 0.2761 0.0677 0.034 Uiso 1 1 calc R . . . .
C13 C 0.2345(4) 0.2974(3) 0.0100(2) 0.0340(7) Uani 1 1 d . . . . .
H13 H 0.2184 0.2824 -0.0534 0.041 Uiso 1 1 calc R . . . .
C14 C 0.3718(4) 0.3235(3) 0.0313(2) 0.0308(7) Uani 1 1 d . . . . .
H14 H 0.4507 0.3264 -0.0171 0.037 Uiso 1 1 calc R . . . .
C15 C 0.3919(3) 0.3453(2) 0.1242(2) 0.0208(6) Uani 1 1 d . . . . .
C16 C 0.5329(3) 0.3773(2) 0.1525(2) 0.0200(5) Uani 1 1 d . . . . .
C17 C 0.6456(3) 0.4081(2) 0.0866(2) 0.0255(6) Uani 1 1 d . . . . .
H17 H 0.6395 0.4048 0.0188 0.031 Uiso 1 1 calc R . . . .
C18 C 0.7681(3) 0.4441(2) 0.1207(2) 0.0263(6) Uani 1 1 d . . . . .
H18 H 0.8465 0.4660 0.0763 0.032 Uiso 1 1 calc R . . . .
C19 C 0.7754(3) 0.4478(2) 0.2196(2) 0.0231(6) Uani 1 1 d . . . . .
H19 H 0.8573 0.4736 0.2440 0.028 Uiso 1 1 calc R . . . .
C20 C 0.6612(3) 0.4134(2) 0.2822(2) 0.0198(5) Uani 1 1 d . . . . .
H20 H 0.6669 0.4137 0.3505 0.024 Uiso 1 1 calc R . . . .
C21 C -0.1263(5) 0.0421(4) 0.1704(3) 0.0496(10) Uani 1 1 d . . . . .
F1A F -0.0955(8) 0.1045(6) 0.0826(4) 0.0408(17) Uiso 0.465(14) 1 d . U P A 1
F2A F -0.2507(8) 0.0104(8) 0.1712(5) 0.061(2) Uiso 0.465(14) 1 d . U P A 1
F3A F -0.0278(13) -0.0572(6) 0.1860(6) 0.073(2) Uiso 0.465(14) 1 d . U P A 1
F1B F -0.0593(8) 0.0744(6) 0.0885(4) 0.0535(16) Uiso 0.535(14) 1 d . U P A 2
F2B F -0.2839(7) 0.0554(6) 0.1639(4) 0.0518(18) Uiso 0.535(14) 1 d . U P A 2
F3B F -0.0889(10) -0.0483(5) 0.1714(5) 0.0632(19) Uiso 0.535(14) 1 d . U P A 2
S1 S -0.08596(9) 0.10507(6) 0.27217(6) 0.02740(17) Uani 1 1 d . . . . .
O1 O -0.1663(3) 0.2026(2) 0.2533(2) 0.0541(8) Uani 1 1 d . . . . .
O2 O -0.1402(4) 0.0396(2) 0.3560(2) 0.0507(7) Uani 1 1 d . . . . .
O3 O 0.0714(3) 0.1086(2) 0.2624(2) 0.0475(7) Uani 1 1 d . . . . .
C22 C 0.4081(4) 0.2679(2) 0.6732(2) 0.0273(6) Uani 1 1 d . . . . .
S2 S 0.42873(7) 0.37513(5) 0.57556(5) 0.01917(14) Uani 1 1 d . . . . .
F4 F 0.3583(3) 0.30137(17) 0.75570(14) 0.0426(5) Uani 1 1 d . . . . .
F5 F 0.3139(3) 0.20579(17) 0.64966(18) 0.0483(6) Uani 1 1 d . . . . .
F6 F 0.5371(2) 0.21337(16) 0.68835(16) 0.0415(5) Uani 1 1 d . . . . .
O4 O 0.4811(3) 0.32398(18) 0.49098(16) 0.0288(5) Uani 1 1 d . . . . .
O5 O 0.2817(2) 0.42539(18) 0.56625(16) 0.0276(5) Uani 1 1 d . . . . .
O6 O 0.5376(2) 0.43065(17) 0.60990(16) 0.0263(5) Uani 1 1 d . . . . .
C23 C 0.1037(4) 0.7130(3) 0.1812(3) 0.0309(7) Uani 1 1 d . . . . .
S3 S 0.16249(8) 0.57930(5) 0.17244(5) 0.01996(14) Uani 1 1 d . . . . .
F7 F 0.1212(3) 0.76842(17) 0.09407(18) 0.0565(7) Uani 1 1 d . . . . .
F8 F -0.0377(3) 0.72387(19) 0.2095(2) 0.0591(7) Uani 1 1 d . . . . .
F9 F 0.1809(3) 0.74995(18) 0.24278(18) 0.0502(6) Uani 1 1 d . . . . .
O7 O 0.3202(2) 0.57550(19) 0.15392(17) 0.0312(5) Uani 1 1 d . . . . .
O8 O 0.0787(3) 0.55737(18) 0.09493(16) 0.0304(5) Uani 1 1 d . . . . .
O9 O 0.1198(3) 0.52648(17) 0.26892(16) 0.0290(5) Uani 1 1 d . . . . .
O1S O -0.5061(16) 0.0274(9) -0.0045(10) 0.120(3) Uani 0.5 1 d D U P B -1
C1S C -0.701(2) -0.019(2) 0.1056(15) 0.132(6) Uani 0.5 1 d D U P B -1
H1SA H -0.7642 0.0071 0.1581 0.198 Uiso 0.5 1 calc R . P B -1
H1SB H -0.7624 -0.0302 0.0531 0.198 Uiso 0.5 1 calc R . P B -1
H1SC H -0.6466 -0.0837 0.1314 0.198 Uiso 0.5 1 calc R . P B -1
C2S C -0.605(2) 0.0491(12) 0.0702(14) 0.132(3) Uani 0.5 1 d D U P B -1
H2SA H -0.5482 0.0612 0.1253 0.158 Uiso 0.5 1 calc R . P B -1
H2SB H -0.6635 0.1144 0.0474 0.158 Uiso 0.5 1 calc R . P B -1
C3S C -0.4253(15) 0.0715(9) -0.0846(10) 0.086(3) Uani 0.5 1 d D U P B -1
H3SA H -0.4958 0.1095 -0.1315 0.103 Uiso 0.5 1 calc R . P B -1
H3SB H -0.3671 0.1223 -0.0625 0.103 Uiso 0.5 1 calc R . P B -1
C4S C -0.3321(15) 0.0092(14) -0.1332(10) 0.080(3) Uani 0.5 1 d D U P B -1
H4SA H -0.2819 0.0497 -0.1881 0.119 Uiso 0.5 1 calc R . P B -1
H4SB H -0.2586 -0.0274 -0.0888 0.119 Uiso 0.5 1 calc R . P B -1
H4SC H -0.3879 -0.0402 -0.1581 0.119 Uiso 0.5 1 calc R . P B -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 N1 2.238(2) . ?
Sb1 N2 2.328(2) . ?
Sb1 N3 2.236(2) . ?
Sb1 N4 2.284(2) . ?
N1 C1 1.352(4) . ?
N1 C5 1.354(4) . ?
N2 C6 1.346(4) . ?
N2 C10 1.351(4) . ?
N3 C11 1.349(4) . ?
N3 C15 1.354(4) . ?
N4 C16 1.350(4) . ?
N4 C20 1.345(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.375(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.369(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(4) . ?
C5 C6 1.474(4) . ?
C6 C7 1.392(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.377(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.377(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(4) . ?
C15 C16 1.483(4) . ?
C16 C17 1.381(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.380(4) . ?
C20 H20 0.9500 . ?
C21 F1A 1.397(8) . ?
C21 F2A 1.245(8) . ?
C21 F3A 1.515(11) . ?
C21 F1B 1.289(7) . ?
C21 F2B 1.435(8) . ?
C21 F3B 1.213(8) . ?
C21 S1 1.812(4) . ?
S1 O1 1.421(3) . ?
S1 O2 1.436(3) . ?
S1 O3 1.435(3) . ?
C22 S2 1.829(3) . ?
C22 F4 1.323(4) . ?
C22 F5 1.331(4) . ?
C22 F6 1.329(4) . ?
S2 O4 1.468(2) . ?
S2 O5 1.440(2) . ?
S2 O6 1.433(2) . ?
C23 S3 1.822(3) . ?
C23 F7 1.327(4) . ?
C23 F8 1.322(4) . ?
C23 F9 1.313(4) . ?
S3 O7 1.439(2) . ?
S3 O8 1.433(2) . ?
S3 O9 1.463(2) . ?
O1S C2S 1.374(12) . ?
O1S C3S 1.379(12) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C1S C2S 1.336(17) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S C4S 1.345(17) . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 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
N1 Sb1 N2 71.60(8) . . ?
N1 Sb1 N4 87.86(8) . . ?
N3 Sb1 N1 78.72(8) . . ?
N3 Sb1 N2 91.87(8) . . ?
N3 Sb1 N4 72.11(8) . . ?
N4 Sb1 N2 156.30(9) . . ?
C1 N1 Sb1 122.6(2) . . ?
C1 N1 C5 119.1(3) . . ?
C5 N1 Sb1 118.27(18) . . ?
C6 N2 Sb1 115.59(18) . . ?
C6 N2 C10 119.7(2) . . ?
C10 N2 Sb1 121.67(19) . . ?
C11 N3 Sb1 122.28(19) . . ?
C11 N3 C15 119.7(2) . . ?
C15 N3 Sb1 118.01(18) . . ?
C16 N4 Sb1 116.40(18) . . ?
C20 N4 Sb1 120.10(18) . . ?
C20 N4 C16 119.7(2) . . ?
N1 C1 H1 119.1 . . ?
N1 C1 C2 121.9(3) . . ?
C2 C1 H1 119.1 . . ?
C1 C2 H2 120.5 . . ?
C1 C2 C3 119.1(3) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.4(3) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 120.9(3) . . ?
N1 C5 C6 117.0(2) . . ?
C4 C5 C6 122.2(3) . . ?
N2 C6 C5 115.3(2) . . ?
N2 C6 C7 121.5(3) . . ?
C7 C6 C5 123.2(3) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 C6 118.4(3) . . ?
C8 C7 H7 120.8 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.6 . . ?
C10 C9 C8 118.8(3) . . ?
C10 C9 H9 120.6 . . ?
N2 C10 C9 121.6(3) . . ?
N2 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
N3 C11 H11 119.3 . . ?
N3 C11 C12 121.4(3) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.5(3) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 120.5 . . ?
C15 C14 C13 119.0(3) . . ?
C15 C14 H14 120.5 . . ?
N3 C15 C14 121.1(3) . . ?
N3 C15 C16 116.3(2) . . ?
C14 C15 C16 122.7(3) . . ?
N4 C16 C15 114.8(2) . . ?
N4 C16 C17 121.1(3) . . ?
C17 C16 C15 124.1(3) . . ?
C16 C17 H17 120.5 . . ?
C16 C17 C18 119.1(3) . . ?
C18 C17 H17 120.5 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.7 . . ?
C18 C19 C20 118.7(3) . . ?
C20 C19 H19 120.7 . . ?
N4 C20 C19 121.8(3) . . ?
N4 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
F1A C21 F3A 114.3(5) . . ?
F1A C21 S1 109.5(3) . . ?
F2A C21 F1A 110.9(5) . . ?
F2A C21 F3A 101.6(6) . . ?
F2A C21 S1 117.6(4) . . ?
F3A C21 S1 102.7(5) . . ?
F1B C21 F2B 111.6(5) . . ?
F1B C21 S1 114.5(4) . . ?
F2B C21 S1 106.1(4) . . ?
F3B C21 F1B 97.5(6) . . ?
F3B C21 F2B 107.1(5) . . ?
F3B C21 S1 119.7(5) . . ?
O1 S1 C21 103.4(2) . . ?
O1 S1 O2 114.94(19) . . ?
O1 S1 O3 113.62(19) . . ?
O2 S1 C21 103.30(19) . . ?
O3 S1 C21 103.59(19) . . ?
O3 S1 O2 115.77(19) . . ?
F4 C22 S2 110.5(2) . . ?
F4 C22 F5 108.6(3) . . ?
F4 C22 F6 108.6(3) . . ?
F5 C22 S2 110.8(2) . . ?
F6 C22 S2 110.5(2) . . ?
F6 C22 F5 107.8(3) . . ?
O4 S2 C22 102.76(14) . . ?
O5 S2 C22 104.33(14) . . ?
O5 S2 O4 113.00(13) . . ?
O6 S2 C22 103.70(14) . . ?
O6 S2 O4 113.74(13) . . ?
O6 S2 O5 117.16(14) . . ?
F7 C23 S3 109.5(2) . . ?
F8 C23 S3 110.4(2) . . ?
F8 C23 F7 108.0(3) . . ?
F9 C23 S3 112.1(2) . . ?
F9 C23 F7 107.9(3) . . ?
F9 C23 F8 108.8(3) . . ?
O7 S3 C23 105.09(16) . . ?
O7 S3 O9 112.87(14) . . ?
O8 S3 C23 103.49(15) . . ?
O8 S3 O7 116.14(14) . . ?
O8 S3 O9 113.97(14) . . ?
O9 S3 C23 103.46(15) . . ?
C2S O1S C3S 143.3(14) . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
O1S C2S H2SA 107.6 . . ?
O1S C2S H2SB 107.6 . . ?
C1S C2S O1S 118.9(13) . . ?
C1S C2S H2SA 107.6 . . ?
C1S C2S H2SB 107.6 . . ?
H2SA C2S H2SB 107.0 . . ?
O1S C3S H3SA 107.9 . . ?
O1S C3S H3SB 107.9 . . ?
H3SA C3S H3SB 107.2 . . ?
C4S C3S O1S 117.5(12) . . ?
C4S C3S H3SA 107.9 . . ?
C4S C3S H3SB 107.9 . . ?
C3S C4S H4SA 109.5 . . ?
C3S C4S H4SB 109.5 . . ?
C3S C4S H4SC 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1993359'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;University of Toronto
Canada
;
_audit_update_record             
;
2020-03-29 deposited with the CCDC.	2020-09-18 downloaded from the CCDC.
;
_audit_creation_date             2019-09-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C30 H56 N4 Sb, B C24 F20, C7 H8'
_chemical_formula_sum            'C61 H64 B F20 N4 Sb'
_chemical_formula_weight         1365.72
_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'
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'
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           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   19.218(3)
_cell_length_b                   8.3161(12)
_cell_length_c                   20.922(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.897(4)
_cell_angle_gamma                90
_cell_volume                     3102.5(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.44
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.546
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1032 before and 0.0541 after correction.
The Ratio of minimum to maximum transmission is 0.9324.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1388
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            73380
_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         26.371
_diffrn_reflns_theta_min         1.816
_diffrn_ambient_temperature      150(2)
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5339
_reflns_number_total             6332
_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, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_molecular_graphics    ortep3
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         6332
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0385
_refine_ls_restrained_S_all      1.089
_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)+(0.0450P)²+3.5553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1001
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C2S-C7S \\sim C6S-C7S
 with sigma of 0.002
3. Rigid bond restraints
 C6S, C5S, C4S, C3S, C2S, C1S, C7S
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C6S \\sim C5S \\sim C4S \\sim C3S \\sim C2S \\sim C1S \\sim C7S: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Fixed Sof: C6S(0.5) H6S(0.5) C5S(0.5) H5S(0.5) C4S(0.5) H4S(0.5) C3S(0.5)
 H3S(0.5) C2S(0.5) H2S(0.5) C1S(0.5) C7S(0.5) H7SA(0.5) H7SB(0.5) H7SC(0.5)
6.a Ternary CH refined with riding coordinates:
 C13(H13), C7(H7), C10(H10), C4(H4)
6.b Aromatic/amide H refined with riding coordinates:
 C6S(H6S), C5S(H5S), C4S(H4S), C3S(H3S), C2S(H2S)
6.c Fitted hexagon refined as free rotating group:
 C6S(C5S,C4S,C3S,C2S,C1S)
6.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C14(H14A,H14B,H14C), C8(H8A,H8B,H8C), C11(H11A,H11B,
 H11C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C9(H9A,H9B,H9C),
 C7S(H7SA,H7SB,H7SC)
;
_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 0.2500 0.82066(3) 0.7500 0.02546(9) Uani 1 2 d S T P . .
F10 F 0.08560(8) 0.3698(2) 0.15628(8) 0.0282(4) Uani 1 1 d . . . . .
F1 F 0.33782(9) 0.65986(19) 0.35320(8) 0.0280(4) Uani 1 1 d . . . . .
F5 F 0.29521(9) 0.4947(2) 0.12387(8) 0.0298(4) Uani 1 1 d . . . . .
F6 F 0.33702(9) 0.2134(2) 0.20219(9) 0.0310(4) Uani 1 1 d . . . . .
F9 F 0.03888(10) 0.1572(2) 0.05598(9) 0.0383(4) Uani 1 1 d . . . . .
F2 F 0.43162(10) 0.8860(2) 0.34266(10) 0.0372(4) Uani 1 1 d . . . . .
F7 F 0.28820(11) 0.0003(2) 0.09950(10) 0.0438(5) Uani 1 1 d . . . . .
F4 F 0.39032(11) 0.7133(2) 0.11648(10) 0.0407(5) Uani 1 1 d . . . . .
F3 F 0.46016(10) 0.9155(2) 0.22427(11) 0.0441(5) Uani 1 1 d . . . . .
F8 F 0.13851(12) -0.0320(2) 0.02500(10) 0.0486(5) Uani 1 1 d . . . . .
N2 N 0.18192(12) 0.4020(3) 0.62524(11) 0.0226(5) Uani 1 1 d . . . . .
N1 N 0.35969(12) 0.5868(3) 0.62188(11) 0.0198(5) Uani 1 1 d . . . . .
C1 C 0.26854(14) 0.6383(3) 0.68589(13) 0.0198(5) Uani 1 1 d . . . . .
C3 C 0.23801(14) 0.5058(3) 0.64440(13) 0.0195(5) Uani 1 1 d . . . . .
C16 C 0.31270(14) 0.5592(3) 0.24060(13) 0.0179(5) Uani 1 1 d . . . . .
C22 C 0.21473(14) 0.3079(3) 0.18398(13) 0.0185(5) Uani 1 1 d . . . . .
C27 C 0.13954(15) 0.2836(3) 0.14458(13) 0.0205(5) Uani 1 1 d . . . . .
C21 C 0.34915(15) 0.6684(3) 0.29289(14) 0.0215(5) Uani 1 1 d . . . . .
C2 C 0.30364(14) 0.5765(3) 0.64393(13) 0.0185(5) Uani 1 1 d . . . . .
C26 C 0.11311(16) 0.1719(3) 0.09179(14) 0.0271(6) Uani 1 1 d . . . . .
C23 C 0.26202(15) 0.2043(3) 0.16683(14) 0.0233(6) Uani 1 1 d . . . . .
C24 C 0.23859(17) 0.0926(3) 0.11435(15) 0.0287(6) Uani 1 1 d . . . . .
C17 C 0.32837(15) 0.5838(3) 0.18126(14) 0.0209(5) Uani 1 1 d . . . . .
C13 C 0.12430(15) 0.4195(3) 0.65634(14) 0.0251(6) Uani 1 1 d . . . . .
H13 H 0.1382 0.5155 0.6873 0.030 Uiso 1 1 calc R . . . .
B1 B 0.2500 0.4335(5) 0.2500 0.0173(8) Uani 1 2 d S T P . .
C25 C 0.16272(18) 0.0765(3) 0.07618(15) 0.0301(7) Uani 1 1 d . . . . .
C15 C 0.12470(19) 0.2738(4) 0.70077(17) 0.0379(8) Uani 1 1 d . . . . .
H15A H 0.1145 0.1763 0.6724 0.057 Uiso 1 1 calc GR . . . .
H15B H 0.0860 0.2870 0.7203 0.057 Uiso 1 1 calc GR . . . .
H15C H 0.1739 0.2644 0.7381 0.057 Uiso 1 1 calc GR . . . .
C7 C 0.36588(16) 0.4764(3) 0.56848(14) 0.0246(6) Uani 1 1 d . . . . .
H7 H 0.3194 0.4091 0.5519 0.029 Uiso 1 1 calc R . . . .
C20 C 0.39789(15) 0.7868(3) 0.28915(16) 0.0261(6) Uani 1 1 d . . . . .
C18 C 0.37759(16) 0.6998(3) 0.17576(15) 0.0274(6) Uani 1 1 d . . . . .
C19 C 0.41251(16) 0.8015(3) 0.22967(17) 0.0286(6) Uani 1 1 d . . . . .
C10 C 0.17356(17) 0.2755(3) 0.57255(15) 0.0278(6) Uani 1 1 d . . . . .
H10 H 0.1281 0.2115 0.5686 0.033 Uiso 1 1 calc R . . . .
C14 C 0.04714(16) 0.4514(4) 0.60145(17) 0.0367(7) Uani 1 1 d . . . . .
H14A H 0.0497 0.5451 0.5740 0.055 Uiso 1 1 calc GR . . . .
H14B H 0.0113 0.4725 0.6236 0.055 Uiso 1 1 calc GR . . . .
H14C H 0.0308 0.3572 0.5714 0.055 Uiso 1 1 calc GR . . . .
C4 C 0.41993(15) 0.7071(3) 0.65404(14) 0.0243(6) Uani 1 1 d . . . . .
H4 H 0.4564 0.6979 0.6304 0.029 Uiso 1 1 calc R . . . .
C8 C 0.43188(18) 0.3627(4) 0.59866(17) 0.0350(7) Uani 1 1 d . . . . .
H8A H 0.4787 0.4242 0.6133 0.052 Uiso 1 1 calc GR . . . .
H8B H 0.4315 0.2839 0.5637 0.052 Uiso 1 1 calc GR . . . .
H8C H 0.4280 0.3067 0.6384 0.052 Uiso 1 1 calc GR . . . .
C11 C 0.23959(19) 0.1598(4) 0.59658(17) 0.0361(7) Uani 1 1 d . . . . .
H11A H 0.2863 0.2196 0.6058 0.054 Uiso 1 1 calc GR . . . .
H11B H 0.2336 0.0794 0.5607 0.054 Uiso 1 1 calc GR . . . .
H11C H 0.2414 0.1058 0.6388 0.054 Uiso 1 1 calc GR . . . .
C5 C 0.46259(17) 0.6694(4) 0.73007(15) 0.0333(7) Uani 1 1 d . . . . .
H5A H 0.4292 0.6839 0.7554 0.050 Uiso 1 1 calc GR . . . .
H5B H 0.5056 0.7422 0.7487 0.050 Uiso 1 1 calc GR . . . .
H5C H 0.4804 0.5579 0.7349 0.050 Uiso 1 1 calc GR . . . .
C6 C 0.38939(18) 0.8778(4) 0.64279(17) 0.0326(7) Uani 1 1 d . . . . .
H6A H 0.3588 0.8937 0.5939 0.049 Uiso 1 1 calc GR . . . .
H6B H 0.4312 0.9543 0.6570 0.049 Uiso 1 1 calc GR . . . .
H6C H 0.3584 0.8956 0.6702 0.049 Uiso 1 1 calc GR . . . .
C12 C 0.15851(18) 0.3474(4) 0.50204(15) 0.0365(7) Uani 1 1 d . . . . .
H12A H 0.1126 0.4121 0.4879 0.055 Uiso 1 1 calc GR . . . .
H12B H 0.1524 0.2608 0.4686 0.055 Uiso 1 1 calc GR . . . .
H12C H 0.2008 0.4157 0.5040 0.055 Uiso 1 1 calc GR . . . .
C9 C 0.3685(2) 0.5690(4) 0.50648(16) 0.0383(8) Uani 1 1 d . . . . .
H9A H 0.3262 0.6442 0.4901 0.057 Uiso 1 1 calc GR . . . .
H9B H 0.3653 0.4934 0.4696 0.057 Uiso 1 1 calc GR . . . .
H9C H 0.4157 0.6291 0.5199 0.057 Uiso 1 1 calc GR . . . .
C6S C 0.5245(7) 1.007(2) -0.0535(5) 0.044(2) Uani 0.5 1 d D U . A -1
H6S H 0.5480 1.0149 -0.0861 0.053 Uiso 0.5 1 calc R . . A -1
C5S C 0.4594(7) 0.917(2) -0.0687(6) 0.053(2) Uani 0.5 1 d G U . A -1
H5S H 0.4384 0.8631 -0.1117 0.063 Uiso 0.5 1 calc R . . A -1
C4S C 0.4250(6) 0.906(2) -0.0210(7) 0.054(2) Uani 0.5 1 d G U . A -1
H4S H 0.3805 0.8443 -0.0313 0.065 Uiso 0.5 1 calc R . . A -1
C3S C 0.4558(6) 0.985(2) 0.0419(7) 0.053(2) Uani 0.5 1 d G U . A -1
H3S H 0.4323 0.9773 0.0745 0.063 Uiso 0.5 1 calc R . . A -1
C2S C 0.5209(6) 1.075(2) 0.0571(6) 0.049(2) Uani 0.5 1 d DG U . A -1
H2S H 0.5419 1.1291 0.1001 0.059 Uiso 0.5 1 calc R . . A -1
C1S C 0.5553(6) 1.086(2) 0.0094(5) 0.0446(19) Uani 0.5 1 d G U . A -1
C7S C 0.6289(5) 1.1833(10) 0.0271(4) 0.0565(19) Uani 0.5 1 d D U . A -1
H7SA H 0.6610 1.1312 0.0061 0.085 Uiso 0.5 1 calc GR . . A -1
H7SB H 0.6553 1.1871 0.0772 0.085 Uiso 0.5 1 calc GR . . A -1
H7SC H 0.6172 1.2930 0.0091 0.085 Uiso 0.5 1 calc GR . . 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 C1 2.141(3) . ?
Sb1 C1 2.141(3) 2_556 ?
F10 C27 1.356(3) . ?
F1 C21 1.360(3) . ?
F5 C17 1.351(3) . ?
F6 C23 1.355(3) . ?
F9 C26 1.347(3) . ?
F2 C20 1.346(3) . ?
F7 C24 1.348(3) . ?
F4 C18 1.355(3) . ?
F3 C19 1.352(3) . ?
F8 C25 1.343(3) . ?
N2 C3 1.321(3) . ?
N2 C13 1.486(3) . ?
N2 C10 1.489(3) . ?
N1 C2 1.323(3) . ?
N1 C7 1.485(3) . ?
N1 C4 1.487(3) . ?
C1 C3 1.390(4) . ?
C1 C2 1.390(4) . ?
C3 C2 1.395(4) . ?
C16 C21 1.393(4) . ?
C16 C17 1.398(3) . ?
C16 B1 1.661(4) . ?
C22 C27 1.386(4) . ?
C22 C23 1.393(4) . ?
C22 B1 1.661(4) . ?
C27 C26 1.387(4) . ?
C21 C20 1.382(4) . ?
C26 C25 1.370(4) . ?
C23 C24 1.379(4) . ?
C24 C25 1.383(4) . ?
C17 C18 1.385(4) . ?
C13 H13 1.0000 . ?
C13 C15 1.525(4) . ?
C13 C14 1.523(4) . ?
B1 C16 1.661(4) 2 ?
B1 C22 1.661(4) 2 ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C8 1.518(4) . ?
C7 C9 1.526(4) . ?
C20 C19 1.380(4) . ?
C18 C19 1.369(4) . ?
C10 H10 1.0000 . ?
C10 C11 1.521(4) . ?
C10 C12 1.516(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C4 H4 1.0000 . ?
C4 C5 1.526(4) . ?
C4 C6 1.521(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C6S H6S 0.9500 . ?
C6S C5S 1.3900 . ?
C6S C1S 1.3900 . ?
C5S H5S 0.9500 . ?
C5S C4S 1.3900 . ?
C4S H4S 0.9500 . ?
C4S C3S 1.3900 . ?
C3S H3S 0.9500 . ?
C3S C2S 1.3900 . ?
C2S H2S 0.9500 . ?
C2S C1S 1.3900 . ?
C1S C7S 1.550(14) . ?
C7S H7SA 0.9800 . ?
C7S H7SB 0.9800 . ?
C7S H7SC 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
C1 Sb1 C1 89.78(14) . 2_556 ?
C3 N2 C13 117.4(2) . . ?
C3 N2 C10 122.5(2) . . ?
C13 N2 C10 120.1(2) . . ?
C2 N1 C7 121.7(2) . . ?
C2 N1 C4 118.9(2) . . ?
C7 N1 C4 119.3(2) . . ?
C3 C1 Sb1 145.4(2) . . ?
C3 C1 C2 60.23(18) . . ?
C2 C1 Sb1 153.0(2) . . ?
N2 C3 C1 144.5(3) . . ?
N2 C3 C2 155.6(3) . . ?
C1 C3 C2 59.89(18) . . ?
C21 C16 C17 113.0(2) . . ?
C21 C16 B1 119.5(2) . . ?
C17 C16 B1 127.1(2) . . ?
C27 C22 C23 113.1(2) . . ?
C27 C22 B1 126.7(2) . . ?
C23 C22 B1 120.0(2) . . ?
F10 C27 C22 120.9(2) . . ?
F10 C27 C26 114.9(2) . . ?
C22 C27 C26 124.2(2) . . ?
F1 C21 C16 119.1(2) . . ?
F1 C21 C20 115.9(2) . . ?
C20 C21 C16 125.0(3) . . ?
N1 C2 C1 147.8(2) . . ?
N1 C2 C3 152.3(2) . . ?
C1 C2 C3 59.88(18) . . ?
F9 C26 C27 120.1(3) . . ?
F9 C26 C25 120.1(3) . . ?
C25 C26 C27 119.8(3) . . ?
F6 C23 C22 119.2(2) . . ?
F6 C23 C24 115.9(2) . . ?
C24 C23 C22 124.8(3) . . ?
F7 C24 C23 121.2(3) . . ?
F7 C24 C25 119.7(3) . . ?
C23 C24 C25 119.1(3) . . ?
F5 C17 C16 121.5(2) . . ?
F5 C17 C18 114.7(2) . . ?
C18 C17 C16 123.8(3) . . ?
N2 C13 H13 107.4 . . ?
N2 C13 C15 110.7(2) . . ?
N2 C13 C14 111.2(2) . . ?
C15 C13 H13 107.4 . . ?
C14 C13 H13 107.4 . . ?
C14 C13 C15 112.3(2) . . ?
C16 B1 C16 102.0(3) 2 . ?
C16 B1 C22 112.71(12) . . ?
C16 B1 C22 112.71(12) 2 2 ?
C16 B1 C22 113.89(12) 2 . ?
C16 B1 C22 113.89(12) . 2 ?
C22 B1 C22 102.1(3) 2 . ?
F8 C25 C26 120.9(3) . . ?
F8 C25 C24 120.2(3) . . ?
C26 C25 C24 118.9(3) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C7 H7 107.2 . . ?
N1 C7 C8 111.2(2) . . ?
N1 C7 C9 111.4(2) . . ?
C8 C7 H7 107.2 . . ?
C8 C7 C9 112.4(3) . . ?
C9 C7 H7 107.2 . . ?
F2 C20 C21 121.1(3) . . ?
F2 C20 C19 119.9(2) . . ?
C19 C20 C21 119.0(3) . . ?
F4 C18 C17 119.7(3) . . ?
F4 C18 C19 120.2(2) . . ?
C19 C18 C17 120.1(3) . . ?
F3 C19 C20 120.6(3) . . ?
F3 C19 C18 120.3(3) . . ?
C18 C19 C20 119.1(3) . . ?
N2 C10 H10 106.6 . . ?
N2 C10 C11 110.9(2) . . ?
N2 C10 C12 111.7(2) . . ?
C11 C10 H10 106.6 . . ?
C12 C10 H10 106.6 . . ?
C12 C10 C11 113.8(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C4 H4 107.2 . . ?
N1 C4 C5 111.0(2) . . ?
N1 C4 C6 111.6(2) . . ?
C5 C4 H4 107.2 . . ?
C6 C4 H4 107.2 . . ?
C6 C4 C5 112.3(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
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 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5S C6S H6S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C1S C2S C3S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C6S C1S C7S 120.03(8) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S C7S 119.95(8) . . ?
C1S C7S H7SA 109.5 . . ?
C1S C7S H7SB 109.5 . . ?
C1S C7S H7SC 109.5 . . ?
H7SA C7S H7SB 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
