# Electronic Supplementary Material (ESI) for Chemical Science.
# 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. 
# 
#######################################################################

data_20230703-zjx-61031-250k
_database_code_depnum_ccdc_archive 'CCDC 2298889'
loop_
_audit_author_name
_audit_author_address
'Bijin Li'
; Chongqing University
China
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-06-10 downloaded from the CCDC.
;
_audit_creation_date             2023-07-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(F3 Sb0.5), C39 H26 N O'
_chemical_formula_sum            'C39 H26 F6 N O Sb'
_chemical_formula_weight         760.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C39 H26 N O Sb F6'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   15.2592(2)
_cell_length_b                   12.03160(10)
_cell_length_c                   18.0659(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.9020(10)
_cell_angle_gamma                90
_cell_volume                     3219.61(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11648
_cell_measurement_temperature    250.01(10)
_cell_measurement_theta_max      70.4060
_cell_measurement_theta_min      2.9750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.391
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20747
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.569
_diffrn_reflns_theta_min         2.983
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      250.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0892
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  17.00   1.00    1.00    --    0.00  57.00 -90.00   37
  2  ω     27.00  68.00   1.00    1.00    --    0.00  57.00 150.00   41
  3  ω     26.00  60.00   1.00    1.00    --    0.00  57.00 -90.00   34
  4  ω     23.00 102.00   1.00    1.00    --   54.00-125.00  90.00   79
  5  ω     37.00  93.00   1.00    1.00    --   54.00  57.00   0.00   56
  6  ω     66.00 115.00   1.00    1.00    --   54.00  57.00  30.00   49
  7  ω      9.00  71.00   1.00    1.00    --   54.00 -57.00 120.00   62
  8  ω     31.00  80.00   1.00    1.00    --   54.00-125.00 -30.00   49
  9  ω     79.00 130.00   1.00    1.00    --  108.00 -63.00 -30.00   51
 10  ω    100.00 136.00   1.00    1.00    --  108.00  50.00-120.00   36
 11  ω     44.00  73.00   1.00    1.00    --  108.00 -50.00-180.00   29
 12  ω     96.00 122.00   1.00    1.00    --  108.00 -50.00-180.00   26
 13  ω     91.00 177.00   1.00    1.00    --  108.00  38.00  90.00   86
 14  ω     36.00 139.00   1.00    1.00    --  108.00 -25.00 120.00  103
 15  ω     87.00 153.00   1.00    1.00    --  108.00  63.00 -30.00   66
 16  ω     85.00 111.00   1.00    1.00    --  108.00-111.00-150.00   26
 17  ω     42.00  68.00   1.00    1.00    --  108.00-111.00-150.00   26
 18  ω    141.00 173.00   1.00    1.00    --  108.00  63.00  30.00   32
 19  ω     87.00 137.00   1.00    1.00    --  108.00  63.00  30.00   50
 20  ω    117.00 143.00   1.00    1.00    --  108.00 111.00-120.00   26
 21  ω     61.00 137.00   1.00    1.00    --  108.00 -77.00 150.00   76
 22  ω    104.00 158.00   1.00    1.00    --  108.00  50.00   0.00   54
 23  ω    104.00 129.00   1.00    1.00    --  108.00 -63.00 120.00   25
 24  ω     66.00  91.00   1.00    1.00    --  108.00-111.00-120.00   25
 25  ω     70.00 102.00   1.00    1.00    --  108.00-111.00  30.00   32
 26  ω     61.00 129.00   1.00    1.00    --  108.00 -63.00-120.00   68
 27  ω     95.00 126.00   1.00    1.00    --  108.00 -91.00-150.00   31
 28  ω     42.00  67.00   1.00    1.00    --  108.00-111.00 -90.00   25
 29  ω     75.00 100.00   1.00    1.00    --  108.00-111.00 -60.00   25
 30  ω     92.00 118.00   1.00    1.00    --  108.00 -63.00  30.00   26
 31  ω     87.00 112.00   1.00    1.00    --  108.00-111.00  90.00   25
 32  ω     56.00  82.00   1.00    1.00    --  108.00 -50.00-150.00   26
 33  ω    137.00 168.00   1.00    1.00    --  108.00   0.00  30.00   31
 34  ω     71.00  97.00   1.00    1.00    --  108.00   0.00  30.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0896652000
_diffrn_orient_matrix_UB_12      0.0399708000
_diffrn_orient_matrix_UB_13      0.0158197000
_diffrn_orient_matrix_UB_21      0.0453522000
_diffrn_orient_matrix_UB_22      0.1099832000
_diffrn_orient_matrix_UB_23      0.0321956000
_diffrn_orient_matrix_UB_31      -0.0268600000
_diffrn_orient_matrix_UB_32      0.0520144000
_diffrn_orient_matrix_UB_33      -0.0801739000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5595
_reflns_number_total             6179
_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       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.412
_refine_diff_density_min         -1.744
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       0.00115(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         6179
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.046
_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)+(0.0560P)²+3.9253P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1144
_refine_ls_wR_factor_ref         0.1190
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Sof(F1A)=Sof(F2A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00H(H00H), C00J(H00J), C00M(H00M), C00N(H00N), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00U(H00U), C00V(H00V), C00W(H00W),
 C00X(H00X), C00Z(H00Z), C010(H010), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C017(H017), C018(H018), C019(H019),
 C01A(H01A), C01B(H01B)
;
_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
Sb01 Sb 0.000000 0.46493(3) 0.250000 0.06031(14) Uani 1 2 d S T P . .
Sb02 Sb 0.500000 0.93961(3) 0.250000 0.07806(18) Uani 1 2 d S T P . .
O003 O 0.30571(18) 0.34025(18) 0.32284(13) 0.0514(6) Uani 1 1 d . . . . .
N004 N 0.28498(16) 0.57370(19) 0.32576(13) 0.0360(5) Uani 1 1 d . . . . .
F005 F 0.58352(19) 1.0496(2) 0.24399(19) 0.0836(8) Uani 1 1 d . . . . .
C006 C 0.2273(2) 0.5543(2) 0.43882(16) 0.0368(6) Uani 1 1 d . . . . .
C007 C 0.2769(2) 0.3913(2) 0.38030(17) 0.0396(6) Uani 1 1 d . . . . .
C008 C 0.1735(2) 0.7207(3) 0.49874(17) 0.0435(7) Uani 1 1 d . . . . .
C009 C 0.26334(19) 0.5066(2) 0.38085(16) 0.0361(6) Uani 1 1 d . . . . .
C00A C 0.3265(2) 0.5215(2) 0.27081(16) 0.0372(6) Uani 1 1 d . . . . .
C00B C 0.3339(2) 0.4064(3) 0.27112(17) 0.0411(6) Uani 1 1 d . . . . .
C00C C 0.4021(2) 0.4103(3) 0.16403(16) 0.0402(6) Uani 1 1 d . . . . .
C00D C 0.2113(2) 0.4840(3) 0.49670(17) 0.0410(6) Uani 1 1 d . . . . .
H00D H 0.190235 0.515213 0.536889 0.049 Uiso 1 1 calc R U . . .
C00E C 0.2255(2) 0.3710(3) 0.49607(17) 0.0415(6) Uani 1 1 d . . . . .
C00F C 0.4390(2) 0.3506(3) 0.10603(17) 0.0424(7) Uani 1 1 d . . . . .
C00G C 0.20984(19) 0.6708(2) 0.43698(16) 0.0377(6) Uani 1 1 d . . . . .
C00H C 0.3700(2) 0.3518(3) 0.21824(17) 0.0435(7) Uani 1 1 d . . . . .
H00H H 0.372974 0.273790 0.218933 0.052 Uiso 1 1 calc R U . . .
C00I C 0.2052(2) 0.8543(2) 0.36651(17) 0.0419(7) Uani 1 1 d . . . . .
C00J C 0.2588(2) 0.3256(3) 0.43629(18) 0.0437(7) Uani 1 1 d . . . . .
H00J H 0.268620 0.248574 0.434974 0.052 Uiso 1 1 calc R U . . .
F00K F 0.1136(2) 0.4666(4) 0.2309(2) 0.1236(14) Uani 1 1 d . . . . .
C00L C 0.2284(2) 0.7338(2) 0.37821(17) 0.0396(6) Uani 1 1 d . . . . .
C00M C 0.2674(2) 0.6826(2) 0.32453(17) 0.0400(6) Uani 1 1 d . . . . .
H00M H 0.281781 0.726437 0.286037 0.048 Uiso 1 1 calc R U . . .
C00N C 0.3968(2) 0.5263(3) 0.16557(19) 0.0442(7) Uani 1 1 d . . . . .
H00N H 0.419357 0.567985 0.130227 0.053 Uiso 1 1 calc R U . . .
C00O C 0.2045(3) 0.2967(3) 0.55479(18) 0.0493(8) Uani 1 1 d . . . . .
C00P C 0.2686(3) 0.9309(3) 0.3552(2) 0.0495(8) Uani 1 1 d . . . . .
H00P H 0.328293 0.908162 0.358444 0.059 Uiso 1 1 calc R U . . .
C00Q C 0.3594(2) 0.5812(3) 0.21755(18) 0.0441(7) Uani 1 1 d . . . . .
H00Q H 0.356089 0.659180 0.216891 0.053 Uiso 1 1 calc R U . . .
C00R C 0.4359(2) 0.3983(3) 0.03517(18) 0.0468(7) Uani 1 1 d . . . . .
H00R H 0.413632 0.470982 0.025077 0.056 Uiso 1 1 calc R U . . .
C00S C 0.2444(3) 1.0413(3) 0.3391(2) 0.0586(9) Uani 1 1 d . . . . .
H00S H 0.287613 1.092742 0.331188 0.070 Uiso 1 1 calc R U . . .
F00T F 0.5402(4) 0.9409(4) 0.3556(2) 0.1406(18) Uani 1 1 d . . . . .
C00U C 0.2276(3) 0.7906(3) 0.5521(2) 0.0589(9) Uani 1 1 d . . . . .
H00U H 0.284844 0.812553 0.546650 0.071 Uiso 1 1 calc R U . . .
C00V C 0.4651(2) 0.3401(4) -0.0207(2) 0.0570(9) Uani 1 1 d . . . . .
H00V H 0.462321 0.373481 -0.068263 0.068 Uiso 1 1 calc R U . . .
C00W C 0.1175(2) 0.8894(3) 0.3621(2) 0.0545(8) Uani 1 1 d . . . . .
H00W H 0.073812 0.838322 0.369653 0.065 Uiso 1 1 calc R U . . .
C00X C 0.4745(3) 0.2438(3) 0.1195(2) 0.0548(8) Uani 1 1 d . . . . .
H00X H 0.478520 0.210323 0.167252 0.066 Uiso 1 1 calc R U . . .
F00Y F 0.4176(4) 0.8303(3) 0.2593(3) 0.173(2) Uani 1 1 d . . . . .
C00Z C 0.1476(3) 0.3270(3) 0.5992(2) 0.0567(8) Uani 1 1 d . . . . .
H00Z H 0.123027 0.399048 0.594023 0.068 Uiso 1 1 calc R U . . .
C010 C 0.0878(3) 0.6924(4) 0.5063(2) 0.0607(9) Uani 1 1 d . . . . .
H010 H 0.051380 0.644809 0.470466 0.073 Uiso 1 1 calc R U . . .
C011 C 0.1572(3) 1.0754(3) 0.3346(2) 0.0618(10) Uani 1 1 d . . . . .
H011 H 0.140795 1.149936 0.323521 0.074 Uiso 1 1 calc R U . . .
C012 C 0.5039(3) 0.1861(4) 0.0637(2) 0.0648(10) Uani 1 1 d . . . . .
H012 H 0.527946 0.114220 0.073962 0.078 Uiso 1 1 calc R U . . .
C013 C 0.1248(3) 0.2555(4) 0.6515(2) 0.0654(10) Uani 1 1 d . . . . .
H013 H 0.084045 0.278445 0.680062 0.078 Uiso 1 1 calc R U . . .
C014 C 0.4982(3) 0.2336(4) -0.0067(2) 0.0644(10) Uani 1 1 d . . . . .
H014 H 0.516788 0.193571 -0.044987 0.077 Uiso 1 1 calc R U . . .
C015 C 0.0943(3) 0.9999(3) 0.3464(2) 0.0646(10) Uani 1 1 d . . . . .
H015 H 0.034860 1.023486 0.343777 0.078 Uiso 1 1 calc R U . . .
C016 C 0.1953(4) 0.8278(4) 0.6141(2) 0.0793(14) Uani 1 1 d . . . . .
H016 H 0.232362 0.872171 0.651820 0.095 Uiso 1 1 calc R U . . .
C017 C 0.1100(4) 0.7999(4) 0.6203(3) 0.0870(16) Uani 1 1 d . . . . .
H017 H 0.088703 0.826222 0.661801 0.104 Uiso 1 1 calc R U . . .
C018 C 0.0558(4) 0.7339(5) 0.5664(3) 0.0810(14) Uani 1 1 d . . . . .
H018 H -0.003118 0.716729 0.570133 0.097 Uiso 1 1 calc R U . . .
C019 C 0.1613(5) 0.1525(4) 0.6614(3) 0.0916(17) Uani 1 1 d . . . . .
H019 H 0.142354 0.101293 0.693656 0.110 Uiso 1 1 calc R U . . .
C01A C 0.2491(5) 0.1948(4) 0.5707(3) 0.0970(19) Uani 1 1 d . . . . .
H01A H 0.294033 0.174847 0.545534 0.116 Uiso 1 1 calc R U . . .
C01B C 0.2269(6) 0.1232(5) 0.6235(4) 0.126(3) Uani 1 1 d . . . . .
H01B H 0.256538 0.054404 0.633722 0.152 Uiso 1 1 calc R U . . .
F1 F -0.0512(6) 0.4154(17) 0.1517(6) 0.176(9) Uani 0.508(11) 1 d . . P A 1
F2 F 0.0426(5) 0.6057(7) 0.2862(7) 0.134(4) Uani 0.508(11) 1 d . . P A 1
F1A F -0.0325(6) 0.5172(14) 0.1545(5) 0.149(7) Uani 0.492(11) 1 d . . P A 2
F2A F 0.0295(7) 0.3252(7) 0.2827(8) 0.137(6) Uani 0.492(11) 1 d . . P A 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
Sb01 F00K 1.847(3) . ?
Sb01 F00K 1.847(3) 2 ?
Sb01 F1 1.859(7) 2 ?
Sb01 F1 1.859(7) . ?
Sb01 F2 1.875(7) . ?
Sb01 F2 1.875(7) 2 ?
Sb01 F1A 1.791(7) 2 ?
Sb01 F1A 1.791(7) . ?
Sb01 F2A 1.803(7) 2 ?
Sb01 F2A 1.803(7) . ?
Sb02 F005 1.859(3) 2_655 ?
Sb02 F005 1.859(3) . ?
Sb02 F00T 1.858(5) 2_655 ?
Sb02 F00T 1.858(5) . ?
Sb02 F00Y 1.855(3) 2_655 ?
Sb02 F00Y 1.855(3) . ?
O003 C007 1.367(4) . ?
O003 C00B 1.373(4) . ?
N004 C009 1.382(4) . ?
N004 C00A 1.444(4) . ?
N004 C00M 1.337(4) . ?
C006 C009 1.416(4) . ?
C006 C00D 1.412(4) . ?
C006 C00G 1.425(4) . ?
C007 C009 1.403(4) . ?
C007 C00J 1.364(4) . ?
C008 C00G 1.487(4) . ?
C008 C00U 1.392(5) . ?
C008 C010 1.388(5) . ?
C00A C00B 1.389(4) . ?
C00A C00Q 1.387(4) . ?
C00B C00H 1.378(4) . ?
C00C C00F 1.488(4) . ?
C00C C00H 1.387(4) . ?
C00C C00N 1.399(4) . ?
C00D H00D 0.9400 . ?
C00D C00E 1.378(4) . ?
C00E C00J 1.409(4) . ?
C00E C00O 1.480(4) . ?
C00F C00R 1.393(5) . ?
C00F C00X 1.394(5) . ?
C00G C00L 1.388(4) . ?
C00H H00H 0.9400 . ?
C00I C00L 1.495(4) . ?
C00I C00P 1.386(5) . ?
C00I C00W 1.388(5) . ?
C00J H00J 0.9400 . ?
C00L C00M 1.396(4) . ?
C00M H00M 0.9400 . ?
C00N H00N 0.9400 . ?
C00N C00Q 1.379(4) . ?
C00O C00Z 1.366(5) . ?
C00O C01A 1.398(6) . ?
C00P H00P 0.9400 . ?
C00P C00S 1.391(5) . ?
C00Q H00Q 0.9400 . ?
C00R H00R 0.9400 . ?
C00R C00V 1.387(5) . ?
C00S H00S 0.9400 . ?
C00S C011 1.375(6) . ?
C00U H00U 0.9400 . ?
C00U C016 1.401(6) . ?
C00V H00V 0.9400 . ?
C00V C014 1.379(6) . ?
C00W H00W 0.9400 . ?
C00W C015 1.388(5) . ?
C00X H00X 0.9400 . ?
C00X C012 1.384(5) . ?
C00Z H00Z 0.9400 . ?
C00Z C013 1.382(5) . ?
C010 H010 0.9400 . ?
C010 C018 1.387(5) . ?
C011 H011 0.9400 . ?
C011 C015 1.375(6) . ?
C012 H012 0.9400 . ?
C012 C014 1.379(6) . ?
C013 H013 0.9400 . ?
C013 C019 1.353(7) . ?
C014 H014 0.9400 . ?
C015 H015 0.9400 . ?
C016 H016 0.9400 . ?
C016 C017 1.376(8) . ?
C017 H017 0.9400 . ?
C017 C018 1.370(8) . ?
C018 H018 0.9400 . ?
C019 H019 0.9400 . ?
C019 C01B 1.388(9) . ?
C01A H01A 0.9400 . ?
C01A C01B 1.387(7) . ?
C01B H01B 0.9400 . ?
F2 F2 1.61(2) 2 ?
F2A F2A 1.30(3) 2 ?

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
F00K Sb01 F00K 178.7(3) . 2 ?
F00K Sb01 F1 91.3(4) 2 2 ?
F00K Sb01 F1 89.1(3) 2 . ?
F00K Sb01 F1 89.1(3) . 2 ?
F00K Sb01 F1 91.3(4) . . ?
F00K Sb01 F2 78.0(3) . . ?
F00K Sb01 F2 100.8(3) 2 . ?
F00K Sb01 F2 78.0(3) 2 2 ?
F00K Sb01 F2 100.8(3) . 2 ?
F1 Sb01 F1 142.6(13) . 2 ?
F1 Sb01 F2 85.7(6) 2 . ?
F1 Sb01 F2 130.8(9) . . ?
F1 Sb01 F2 85.7(6) . 2 ?
F1 Sb01 F2 130.8(9) 2 2 ?
F2 Sb01 F2 50.8(7) . 2 ?
F1A Sb01 F00K 82.6(3) . . ?
F1A Sb01 F00K 97.0(3) 2 . ?
F1A Sb01 F1A 138.9(11) 2 . ?
F1A Sb01 F2A 91.3(6) 2 . ?
F1A Sb01 F2A 129.2(8) 2 2 ?
F1A Sb01 F2A 129.2(8) . . ?
F1A Sb01 F2A 91.3(6) . 2 ?
F2A Sb01 F00K 96.9(3) 2 . ?
F2A Sb01 F00K 84.2(3) . . ?
F2A Sb01 F2A 42.4(9) . 2 ?
F005 Sb02 F005 89.17(16) 2_655 . ?
F00T Sb02 F005 89.76(17) . 2_655 ?
F00T Sb02 F005 89.54(18) 2_655 2_655 ?
F00T Sb02 F005 89.53(18) . . ?
F00T Sb02 F005 89.76(17) 2_655 . ?
F00T Sb02 F00T 179.0(3) . 2_655 ?
F00Y Sb02 F005 178.2(2) . . ?
F00Y Sb02 F005 90.60(16) . 2_655 ?
F00Y Sb02 F005 90.60(16) 2_655 . ?
F00Y Sb02 F005 178.2(2) 2_655 2_655 ?
F00Y Sb02 F00T 92.0(2) . 2_655 ?
F00Y Sb02 F00T 92.0(2) 2_655 . ?
F00Y Sb02 F00T 88.7(2) . . ?
F00Y Sb02 F00T 88.7(2) 2_655 2_655 ?
F00Y Sb02 F00Y 89.7(3) . 2_655 ?
C007 O003 C00B 117.8(2) . . ?
C009 N004 C00A 117.5(2) . . ?
C00M N004 C009 120.2(3) . . ?
C00M N004 C00A 122.3(3) . . ?
C009 C006 C00G 119.0(3) . . ?
C00D C006 C009 118.1(3) . . ?
C00D C006 C00G 122.8(3) . . ?
O003 C007 C009 121.7(3) . . ?
C00J C007 O003 117.5(3) . . ?
C00J C007 C009 120.8(3) . . ?
C00U C008 C00G 119.8(3) . . ?
C010 C008 C00G 120.3(3) . . ?
C010 C008 C00U 119.7(3) . . ?
N004 C009 C006 119.9(3) . . ?
N004 C009 C007 120.8(3) . . ?
C007 C009 C006 119.4(3) . . ?
C00B C00A N004 118.7(3) . . ?
C00Q C00A N004 122.9(3) . . ?
C00Q C00A C00B 118.4(3) . . ?
O003 C00B C00A 122.8(3) . . ?
O003 C00B C00H 116.0(3) . . ?
C00H C00B C00A 121.2(3) . . ?
C00H C00C C00F 120.6(3) . . ?
C00H C00C C00N 117.4(3) . . ?
C00N C00C C00F 121.9(3) . . ?
C006 C00D H00D 119.0 . . ?
C00E C00D C006 122.0(3) . . ?
C00E C00D H00D 119.0 . . ?
C00D C00E C00J 118.4(3) . . ?
C00D C00E C00O 121.9(3) . . ?
C00J C00E C00O 119.7(3) . . ?
C00R C00F C00C 120.9(3) . . ?
C00R C00F C00X 117.8(3) . . ?
C00X C00F C00C 121.3(3) . . ?
C006 C00G C008 118.7(3) . . ?
C00L C00G C006 118.9(3) . . ?
C00L C00G C008 122.4(3) . . ?
C00B C00H C00C 121.0(3) . . ?
C00B C00H H00H 119.5 . . ?
C00C C00H H00H 119.5 . . ?
C00P C00I C00L 121.1(3) . . ?
C00P C00I C00W 119.1(3) . . ?
C00W C00I C00L 119.7(3) . . ?
C007 C00J C00E 121.2(3) . . ?
C007 C00J H00J 119.4 . . ?
C00E C00J H00J 119.4 . . ?
C00G C00L C00I 123.5(3) . . ?
C00G C00L C00M 119.4(3) . . ?
C00M C00L C00I 117.1(3) . . ?
N004 C00M C00L 122.5(3) . . ?
N004 C00M H00M 118.7 . . ?
C00L C00M H00M 118.7 . . ?
C00C C00N H00N 119.1 . . ?
C00Q C00N C00C 121.8(3) . . ?
C00Q C00N H00N 119.1 . . ?
C00Z C00O C00E 122.5(3) . . ?
C00Z C00O C01A 117.4(3) . . ?
C01A C00O C00E 119.9(3) . . ?
C00I C00P H00P 119.8 . . ?
C00I C00P C00S 120.5(3) . . ?
C00S C00P H00P 119.8 . . ?
C00A C00Q H00Q 119.9 . . ?
C00N C00Q C00A 120.2(3) . . ?
C00N C00Q H00Q 119.9 . . ?
C00F C00R H00R 119.5 . . ?
C00V C00R C00F 121.0(3) . . ?
C00V C00R H00R 119.5 . . ?
C00P C00S H00S 120.0 . . ?
C011 C00S C00P 120.1(4) . . ?
C011 C00S H00S 120.0 . . ?
C008 C00U H00U 120.6 . . ?
C008 C00U C016 118.9(4) . . ?
C016 C00U H00U 120.6 . . ?
C00R C00V H00V 119.9 . . ?
C014 C00V C00R 120.2(4) . . ?
C014 C00V H00V 119.9 . . ?
C00I C00W H00W 120.0 . . ?
C00I C00W C015 119.9(4) . . ?
C015 C00W H00W 120.0 . . ?
C00F C00X H00X 119.5 . . ?
C012 C00X C00F 121.0(4) . . ?
C012 C00X H00X 119.5 . . ?
C00O C00Z H00Z 118.8 . . ?
C00O C00Z C013 122.4(4) . . ?
C013 C00Z H00Z 118.8 . . ?
C008 C010 H010 119.8 . . ?
C018 C010 C008 120.4(4) . . ?
C018 C010 H010 119.8 . . ?
C00S C011 H011 120.1 . . ?
C00S C011 C015 119.7(3) . . ?
C015 C011 H011 120.1 . . ?
C00X C012 H012 119.8 . . ?
C014 C012 C00X 120.3(4) . . ?
C014 C012 H012 119.8 . . ?
C00Z C013 H013 120.1 . . ?
C019 C013 C00Z 119.8(4) . . ?
C019 C013 H013 120.1 . . ?
C00V C014 H014 120.2 . . ?
C012 C014 C00V 119.5(3) . . ?
C012 C014 H014 120.2 . . ?
C00W C015 H015 119.7 . . ?
C011 C015 C00W 120.7(4) . . ?
C011 C015 H015 119.7 . . ?
C00U C016 H016 119.7 . . ?
C017 C016 C00U 120.6(4) . . ?
C017 C016 H016 119.7 . . ?
C016 C017 H017 119.8 . . ?
C018 C017 C016 120.3(4) . . ?
C018 C017 H017 119.8 . . ?
C010 C018 H018 120.0 . . ?
C017 C018 C010 120.0(5) . . ?
C017 C018 H018 120.0 . . ?
C013 C019 H019 120.3 . . ?
C013 C019 C01B 119.4(4) . . ?
C01B C019 H019 120.3 . . ?
C00O C01A H01A 120.0 . . ?
C01B C01A C00O 119.9(5) . . ?
C01B C01A H01A 120.0 . . ?
C019 C01B H01B 119.8 . . ?
C01A C01B C019 120.4(5) . . ?
C01A C01B H01B 119.8 . . ?
F2 F2 Sb01 64.6(4) 2 . ?
F2A F2A Sb01 68.8(5) 2 . ?

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
O003 C007 C009 N004 -4.6(5) . . . . ?
O003 C007 C009 C006 175.6(3) . . . . ?
O003 C007 C00J C00E -177.6(3) . . . . ?
O003 C00B C00H C00C -179.0(3) . . . . ?
N004 C00A C00B O003 -1.9(5) . . . . ?
N004 C00A C00B C00H 177.6(3) . . . . ?
N004 C00A C00Q C00N -178.7(3) . . . . ?
C006 C00D C00E C00J 1.2(5) . . . . ?
C006 C00D C00E C00O -177.0(3) . . . . ?
C006 C00G C00L C00I 174.3(3) . . . . ?
C006 C00G C00L C00M -2.8(4) . . . . ?
C007 O003 C00B C00A -6.1(5) . . . . ?
C007 O003 C00B C00H 174.4(3) . . . . ?
C008 C00G C00L C00I -6.5(5) . . . . ?
C008 C00G C00L C00M 176.3(3) . . . . ?
C008 C00U C016 C017 -3.0(6) . . . . ?
C008 C010 C018 C017 -2.4(7) . . . . ?
C009 N004 C00A C00B 6.6(4) . . . . ?
C009 N004 C00A C00Q -173.5(3) . . . . ?
C009 N004 C00M C00L 1.0(5) . . . . ?
C009 C006 C00D C00E -3.1(5) . . . . ?
C009 C006 C00G C008 -179.0(3) . . . . ?
C009 C006 C00G C00L 0.2(4) . . . . ?
C009 C007 C00J C00E 0.3(5) . . . . ?
C00A N004 C009 C006 176.3(3) . . . . ?
C00A N004 C009 C007 -3.5(4) . . . . ?
C00A N004 C00M C00L -179.0(3) . . . . ?
C00A C00B C00H C00C 1.5(5) . . . . ?
C00B O003 C007 C009 9.4(4) . . . . ?
C00B O003 C007 C00J -172.7(3) . . . . ?
C00B C00A C00Q C00N 1.2(5) . . . . ?
C00C C00F C00R C00V -176.0(3) . . . . ?
C00C C00F C00X C012 176.2(3) . . . . ?
C00C C00N C00Q C00A 0.7(5) . . . . ?
C00D C006 C009 N004 -176.2(3) . . . . ?
C00D C006 C009 C007 3.6(4) . . . . ?
C00D C006 C00G C008 0.3(4) . . . . ?
C00D C006 C00G C00L 179.4(3) . . . . ?
C00D C00E C00J C007 0.2(5) . . . . ?
C00D C00E C00O C00Z 19.2(5) . . . . ?
C00D C00E C00O C01A -155.7(4) . . . . ?
C00E C00O C00Z C013 176.9(4) . . . . ?
C00E C00O C01A C01B -177.4(6) . . . . ?
C00F C00C C00H C00B -178.6(3) . . . . ?
C00F C00C C00N C00Q 177.5(3) . . . . ?
C00F C00R C00V C014 -0.2(5) . . . . ?
C00F C00X C012 C014 -0.3(6) . . . . ?
C00G C006 C009 N004 3.1(4) . . . . ?
C00G C006 C009 C007 -177.1(3) . . . . ?
C00G C006 C00D C00E 177.6(3) . . . . ?
C00G C008 C00U C016 -173.7(3) . . . . ?
C00G C008 C010 C018 176.3(4) . . . . ?
C00G C00L C00M N004 2.3(5) . . . . ?
C00H C00C C00F C00R 152.7(3) . . . . ?
C00H C00C C00F C00X -24.7(5) . . . . ?
C00H C00C C00N C00Q -1.5(5) . . . . ?
C00I C00L C00M N004 -175.0(3) . . . . ?
C00I C00P C00S C011 0.3(6) . . . . ?
C00I C00W C015 C011 0.5(6) . . . . ?
C00J C007 C009 N004 177.5(3) . . . . ?
C00J C007 C009 C006 -2.3(5) . . . . ?
C00J C00E C00O C00Z -159.0(3) . . . . ?
C00J C00E C00O C01A 26.1(6) . . . . ?
F00K Sb01 F2 F2 -64.7(6) 2 . . 2 ?
F00K Sb01 F2 F2 114.9(6) . . . 2 ?
F00K Sb01 F2A F2A 73.5(8) 2 . . 2 ?
F00K Sb01 F2A F2A -106.9(8) . . . 2 ?
C00L C00I C00P C00S 175.5(3) . . . . ?
C00L C00I C00W C015 -175.9(3) . . . . ?
C00M N004 C009 C006 -3.7(4) . . . . ?
C00M N004 C009 C007 176.5(3) . . . . ?
C00M N004 C00A C00B -173.4(3) . . . . ?
C00M N004 C00A C00Q 6.5(4) . . . . ?
C00N C00C C00F C00R -26.2(5) . . . . ?
C00N C00C C00F C00X 156.3(3) . . . . ?
C00N C00C C00H C00B 0.4(5) . . . . ?
C00O C00E C00J C007 178.5(3) . . . . ?
C00O C00Z C013 C019 1.8(7) . . . . ?
C00O C01A C01B C019 -0.6(11) . . . . ?
C00P C00I C00L C00G 131.0(3) . . . . ?
C00P C00I C00L C00M -51.7(4) . . . . ?
C00P C00I C00W C015 0.1(5) . . . . ?
C00P C00S C011 C015 0.2(6) . . . . ?
C00Q C00A C00B O003 178.2(3) . . . . ?
C00Q C00A C00B C00H -2.3(5) . . . . ?
C00R C00F C00X C012 -1.3(5) . . . . ?
C00R C00V C014 C012 -1.4(6) . . . . ?
C00S C011 C015 C00W -0.6(6) . . . . ?
C00U C008 C00G C006 110.2(4) . . . . ?
C00U C008 C00G C00L -69.0(4) . . . . ?
C00U C008 C010 C018 0.4(6) . . . . ?
C00U C016 C017 C018 1.0(7) . . . . ?
C00W C00I C00L C00G -53.1(4) . . . . ?
C00W C00I C00L C00M 124.1(3) . . . . ?
C00W C00I C00P C00S -0.5(5) . . . . ?
C00X C00F C00R C00V 1.6(5) . . . . ?
C00X C012 C014 C00V 1.7(6) . . . . ?
C00Z C00O C01A C01B 7.4(9) . . . . ?
C00Z C013 C019 C01B 5.3(8) . . . . ?
C010 C008 C00G C006 -65.8(4) . . . . ?
C010 C008 C00G C00L 115.1(4) . . . . ?
C010 C008 C00U C016 2.3(5) . . . . ?
C013 C019 C01B C01A -5.9(11) . . . . ?
C016 C017 C018 C010 1.8(8) . . . . ?
C01A C00O C00Z C013 -8.2(6) . . . . ?
F1 Sb01 F2 F2 -155.1(8) 2 . . 2 ?
F1 Sb01 F2 F2 33.6(8) . . . 2 ?
F1A Sb01 F2A F2A 156.2(8) 2 . . 2 ?
F1A Sb01 F2A F2A -31.4(10) . . . 2 ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.799
_oxdiff_exptl_absorpt_empirical_full_min 0.765
