# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_[3][BF4]
_database_code_depnum_ccdc_archive 'CCDC 1902816'
loop_
_audit_author_name
_audit_author_address
'Mengxi Yang'
;Texas A M University
United States of America
;
_audit_update_record             
;
2019-03-12 deposited with the CCDC.	2019-04-17 downloaded from the CCDC.
;
_audit_creation_date             2018-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H27 P Sb, B F4'
_chemical_formula_sum            'C31 H27 B F4 P Sb'
_chemical_formula_weight         639.05
_chemical_absolute_configuration ?
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.7939(5)
_cell_length_b                   12.0638(5)
_cell_length_c                   21.0206(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2737.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4662
_cell_measurement_temperature    110
_cell_measurement_theta_max      22.37
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.113
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0952 before and 0.0871 after correction. The Ratio of minimum to maximum transmission is 0.8145. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1074
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            47592
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.938
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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         0.779
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                5511
_reflns_number_total             6282
_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    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.649
_refine_diff_density_min         -0.968
_refine_diff_density_rms         0.098
_refine_ls_abs_structure_details 
;
 Flack x determined using 2200 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6282
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.064
_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)+(0.0351P)²+2.0977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0892
_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
 F3, B1, F1A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Others
 Sof(F1A)=Sof(F2A)=Sof(F3A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C24(H24), C23(H23), C22(H22), C21(H21),
 C20(H20), C30(H30), C29(H29), C28(H28), C27(H27), C26(H26), C8(H8), C9(H9),
 C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18)
4.b Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C)
;
_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 -0.56902(4) -0.33075(3) -0.15063(2) 0.02138(11) Uani 1 1 d . . . . .
P1 P -0.77287(15) -0.28783(13) -0.28020(8) 0.0198(3) Uani 1 1 d . . . . .
F4 F -0.3954(6) -0.4110(4) -0.3174(2) 0.0603(16) Uani 1 1 d . . . . .
C2 C -0.7356(6) -0.4293(5) -0.2612(3) 0.0188(12) Uani 1 1 d . . . . .
C3 C -0.7889(6) -0.5140(5) -0.2979(3) 0.0228(13) Uani 1 1 d . . . . .
H3 H -0.8426 -0.4959 -0.3322 0.027 Uiso 1 1 calc R . . . .
C4 C -0.7632(6) -0.6249(5) -0.2842(3) 0.0275(14) Uani 1 1 d . . . . .
H4 H -0.7987 -0.6821 -0.3093 0.033 Uiso 1 1 calc R . . . .
C5 C -0.6867(6) -0.6513(5) -0.2344(3) 0.0232(14) Uani 1 1 d . . . . .
H5 H -0.6701 -0.7268 -0.2245 0.028 Uiso 1 1 calc R . . . .
C6 C -0.6334(6) -0.5672(5) -0.1982(3) 0.0228(13) Uani 1 1 d . . . . .
H6 H -0.5796 -0.5864 -0.1642 0.027 Uiso 1 1 calc R . . . .
C1 C -0.6568(6) -0.4562(5) -0.2106(3) 0.0181(12) Uani 1 1 d . . . . .
C31 C -0.6395(6) -0.2099(5) -0.3033(3) 0.0241(13) Uani 1 1 d . . . . .
H31A H -0.5934 -0.2508 -0.3359 0.036 Uiso 1 1 calc GR . . . .
H31B H -0.5862 -0.1981 -0.2661 0.036 Uiso 1 1 calc GR . . . .
H31C H -0.6656 -0.1380 -0.3204 0.036 Uiso 1 1 calc GR . . . .
C19 C -0.8431(6) -0.2269(5) -0.2111(3) 0.0208(13) Uani 1 1 d . . . . .
C24 C -0.9178(6) -0.2930(5) -0.1721(3) 0.0240(13) Uani 1 1 d . . . . .
H24 H -0.9288 -0.3692 -0.1819 0.029 Uiso 1 1 calc R . . . .
C23 C -0.9753(6) -0.2484(6) -0.1195(3) 0.0259(14) Uani 1 1 d . . . . .
H23 H -1.0274 -0.2935 -0.0939 0.031 Uiso 1 1 calc R . . . .
C22 C -0.9573(6) -0.1370(5) -0.1038(3) 0.0297(16) Uani 1 1 d . . . . .
H22 H -0.9966 -0.1063 -0.0674 0.036 Uiso 1 1 calc R . . . .
C21 C -0.8818(6) -0.0717(5) -0.1416(3) 0.0311(15) Uani 1 1 d . . . . .
H21 H -0.8688 0.0039 -0.1309 0.037 Uiso 1 1 calc R . . . .
C20 C -0.8248(7) -0.1160(5) -0.1953(3) 0.0279(15) Uani 1 1 d . . . . .
H20 H -0.7734 -0.0707 -0.2212 0.033 Uiso 1 1 calc R . . . .
C25 C -0.8798(6) -0.2839(5) -0.3456(3) 0.0240(13) Uani 1 1 d . . . . .
C30 C -1.0023(6) -0.2512(5) -0.3375(3) 0.0276(15) Uani 1 1 d . . . . .
H30 H -1.0321 -0.2334 -0.2962 0.033 Uiso 1 1 calc R . . . .
C29 C -1.0803(8) -0.2445(5) -0.3891(3) 0.0361(16) Uani 1 1 d . . . . .
H29 H -1.1643 -0.2232 -0.3833 0.043 Uiso 1 1 calc R . . . .
C28 C -1.0369(7) -0.2687(5) -0.4496(4) 0.0345(17) Uani 1 1 d . . . . .
H28 H -1.0905 -0.2621 -0.4853 0.041 Uiso 1 1 calc R . . . .
C27 C -0.9154(7) -0.3024(5) -0.4582(3) 0.0324(15) Uani 1 1 d . . . . .
H27 H -0.8862 -0.3203 -0.4996 0.039 Uiso 1 1 calc R . . . .
C26 C -0.8364(7) -0.3101(5) -0.4065(3) 0.0277(15) Uani 1 1 d . . . . .
H26 H -0.7530 -0.3330 -0.4123 0.033 Uiso 1 1 calc R . . . .
C7 C -0.6810(6) -0.3606(5) -0.0680(3) 0.0210(13) Uani 1 1 d . . . . .
C8 C -0.7510(6) -0.4560(5) -0.0581(3) 0.0260(15) Uani 1 1 d . . . . .
H8 H -0.7474 -0.5147 -0.0881 0.031 Uiso 1 1 calc R . . . .
C9 C -0.8256(7) -0.4663(6) -0.0048(3) 0.0286(15) Uani 1 1 d . . . . .
H9 H -0.8732 -0.5317 0.0013 0.034 Uiso 1 1 calc R . . . .
C10 C -0.8311(7) -0.3813(6) 0.0395(3) 0.0303(16) Uani 1 1 d . . . . .
H10 H -0.8813 -0.3887 0.0764 0.036 Uiso 1 1 calc R . . . .
C11 C -0.7632(7) -0.2858(6) 0.0298(3) 0.0316(16) Uani 1 1 d . . . . .
H11 H -0.7678 -0.2273 0.0600 0.038 Uiso 1 1 calc R . . . .
C12 C -0.6880(6) -0.2741(5) -0.0237(3) 0.0246(13) Uani 1 1 d . . . . .
H12 H -0.6418 -0.2080 -0.0301 0.030 Uiso 1 1 calc R . . . .
C13 C -0.4099(6) -0.4283(5) -0.1242(3) 0.0212(13) Uani 1 1 d . . . . .
C14 C -0.4000(7) -0.4805(5) -0.0651(3) 0.0275(15) Uani 1 1 d . . . . .
H14 H -0.4705 -0.4861 -0.0383 0.033 Uiso 1 1 calc R . . . .
C15 C -0.2871(7) -0.5243(6) -0.0454(4) 0.0322(16) Uani 1 1 d . . . . .
H15 H -0.2804 -0.5586 -0.0049 0.039 Uiso 1 1 calc R . . . .
C16 C -0.1843(7) -0.5178(5) -0.0849(3) 0.0314(16) Uani 1 1 d . . . . .
H16 H -0.1069 -0.5465 -0.0711 0.038 Uiso 1 1 calc R . . . .
C17 C -0.1946(6) -0.4698(5) -0.1445(4) 0.0314(15) Uani 1 1 d . . . . .
H17 H -0.1251 -0.4686 -0.1723 0.038 Uiso 1 1 calc R . . . .
C18 C -0.3070(6) -0.4229(5) -0.1638(3) 0.0243(14) Uani 1 1 d . . . . .
H18 H -0.3130 -0.3873 -0.2040 0.029 Uiso 1 1 calc R . . . .
B1 B -0.4201(7) -0.4025(6) -0.3809(3) 0.0165(13) Uani 1 1 d . U . . .
F1 F -0.3969(17) -0.2850(15) -0.3960(7) 0.044(5) Uani 0.57(5) 1 d . . P A 1
F2 F -0.3627(19) -0.466(3) -0.4196(8) 0.062(6) Uani 0.57(5) 1 d . . P A 1
F3 F -0.551(2) -0.4127(19) -0.3827(12) 0.047(4) Uani 0.57(5) 1 d . U P A 1
F1A F -0.536(3) -0.381(3) -0.4012(16) 0.053(7) Uani 0.43(5) 1 d . U P A 2
F2A F -0.339(3) -0.336(3) -0.4078(8) 0.071(10) Uani 0.43(5) 1 d . . P A 2
F3A F -0.394(2) -0.514(2) -0.4080(15) 0.055(6) Uani 0.43(5) 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
Sb1 C1 2.186(6) . ?
Sb1 C7 2.148(6) . ?
Sb1 C13 2.155(6) . ?
P1 C2 1.798(6) . ?
P1 C31 1.787(6) . ?
P1 C19 1.795(6) . ?
P1 C25 1.796(7) . ?
F4 B1 1.366(7) . ?
C2 C3 1.404(8) . ?
C2 C1 1.401(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.397(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.371(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(9) . ?
C6 H6 0.9500 . ?
C6 C1 1.387(8) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C19 C24 1.399(8) . ?
C19 C20 1.393(8) . ?
C24 H24 0.9500 . ?
C24 C23 1.377(9) . ?
C23 H23 0.9500 . ?
C23 C22 1.398(9) . ?
C22 H22 0.9500 . ?
C22 C21 1.385(10) . ?
C21 H21 0.9500 . ?
C21 C20 1.392(10) . ?
C20 H20 0.9500 . ?
C25 C30 1.390(9) . ?
C25 C26 1.399(9) . ?
C30 H30 0.9500 . ?
C30 C29 1.377(10) . ?
C29 H29 0.9500 . ?
C29 C28 1.386(11) . ?
C28 H28 0.9500 . ?
C28 C27 1.385(11) . ?
C27 H27 0.9500 . ?
C27 C26 1.385(10) . ?
C26 H26 0.9500 . ?
C7 C8 1.392(9) . ?
C7 C12 1.399(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.395(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.396(9) . ?
C13 C18 1.391(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.399(9) . ?
C18 H18 0.9500 . ?
B1 F1 1.474(16) . ?
B1 F2 1.275(19) . ?
B1 F3 1.42(2) . ?
B1 F1A 1.35(3) . ?
B1 F2A 1.317(17) . ?
B1 F3A 1.49(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
C7 Sb1 C1 96.1(2) . . ?
C7 Sb1 C13 98.5(2) . . ?
C13 Sb1 C1 96.7(2) . . ?
C31 P1 C2 112.3(3) . . ?
C31 P1 C19 110.2(3) . . ?
C31 P1 C25 107.3(3) . . ?
C19 P1 C2 107.6(3) . . ?
C19 P1 C25 109.7(3) . . ?
C25 P1 C2 109.8(3) . . ?
C3 C2 P1 118.5(5) . . ?
C1 C2 P1 121.6(4) . . ?
C1 C2 C3 119.8(5) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.1(6) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0(6) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.7(6) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 119.1 . . ?
C1 C6 C5 121.8(6) . . ?
C1 C6 H6 119.1 . . ?
C2 C1 Sb1 122.7(4) . . ?
C6 C1 Sb1 118.8(4) . . ?
C6 C1 C2 118.4(5) . . ?
P1 C31 H31A 109.5 . . ?
P1 C31 H31B 109.5 . . ?
P1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C24 C19 P1 119.0(4) . . ?
C20 C19 P1 121.7(5) . . ?
C20 C19 C24 119.3(6) . . ?
C19 C24 H24 119.7 . . ?
C23 C24 C19 120.5(6) . . ?
C23 C24 H24 119.7 . . ?
C24 C23 H23 119.9 . . ?
C24 C23 C22 120.2(6) . . ?
C22 C23 H23 119.9 . . ?
C23 C22 H22 120.2 . . ?
C21 C22 C23 119.5(6) . . ?
C21 C22 H22 120.2 . . ?
C22 C21 H21 119.8 . . ?
C22 C21 C20 120.5(6) . . ?
C20 C21 H21 119.8 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(7) . . ?
C21 C20 H20 120.0 . . ?
C30 C25 P1 121.6(6) . . ?
C30 C25 C26 119.7(6) . . ?
C26 C25 P1 118.6(5) . . ?
C25 C30 H30 119.9 . . ?
C29 C30 C25 120.1(7) . . ?
C29 C30 H30 119.9 . . ?
C30 C29 H29 119.9 . . ?
C30 C29 C28 120.2(7) . . ?
C28 C29 H29 119.9 . . ?
C29 C28 H28 119.9 . . ?
C27 C28 C29 120.1(7) . . ?
C27 C28 H28 119.9 . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0(6) . . ?
C26 C27 H27 120.0 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(6) . . ?
C27 C26 H26 120.1 . . ?
C8 C7 Sb1 124.4(5) . . ?
C8 C7 C12 119.2(6) . . ?
C12 C7 Sb1 116.3(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.7(6) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.1(6) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.7(7) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.8(6) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 H12 120.3 . . ?
C11 C12 C7 119.5(6) . . ?
C11 C12 H12 120.3 . . ?
C14 C13 Sb1 122.5(5) . . ?
C18 C13 Sb1 117.1(4) . . ?
C18 C13 C14 119.5(6) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(6) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(7) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(7) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.1(7) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 120.0(6) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
F4 B1 F1 104.5(7) . . ?
F4 B1 F3 102.3(12) . . ?
F4 B1 F3A 105.7(14) . . ?
F2 B1 F4 118.9(10) . . ?
F2 B1 F1 110.8(10) . . ?
F2 B1 F3 114.5(17) . . ?
F3 B1 F1 104.3(10) . . ?
F1A B1 F4 120.4(16) . . ?
F1A B1 F3A 103.1(16) . . ?
F2A B1 F4 109.7(9) . . ?
F2A B1 F1A 111.3(13) . . ?
F2A B1 F3A 105.3(13) . . ?

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
Sb1 C7 C8 C9 -176.7(5) . . . . ?
Sb1 C7 C12 C11 177.3(5) . . . . ?
Sb1 C13 C14 C15 -167.6(5) . . . . ?
Sb1 C13 C18 C17 169.9(4) . . . . ?
P1 C2 C3 C4 -179.3(5) . . . . ?
P1 C2 C1 Sb1 -1.0(7) . . . . ?
P1 C2 C1 C6 179.2(5) . . . . ?
P1 C19 C24 C23 -178.5(5) . . . . ?
P1 C19 C20 C21 179.5(5) . . . . ?
P1 C25 C30 C29 177.1(5) . . . . ?
P1 C25 C26 C27 -176.8(5) . . . . ?
C2 P1 C19 C24 -34.2(6) . . . . ?
C2 P1 C19 C20 145.5(6) . . . . ?
C2 P1 C25 C30 110.2(5) . . . . ?
C2 P1 C25 C26 -72.5(6) . . . . ?
C2 C3 C4 C5 0.6(10) . . . . ?
C3 C2 C1 Sb1 179.9(4) . . . . ?
C3 C2 C1 C6 0.1(9) . . . . ?
C3 C4 C5 C6 -1.0(10) . . . . ?
C4 C5 C6 C1 0.9(10) . . . . ?
C5 C6 C1 Sb1 179.7(5) . . . . ?
C5 C6 C1 C2 -0.5(10) . . . . ?
C1 C2 C3 C4 -0.2(9) . . . . ?
C31 P1 C2 C3 -118.1(5) . . . . ?
C31 P1 C2 C1 62.8(6) . . . . ?
C31 P1 C19 C24 -157.0(5) . . . . ?
C31 P1 C19 C20 22.7(6) . . . . ?
C31 P1 C25 C30 -127.5(5) . . . . ?
C31 P1 C25 C26 49.8(6) . . . . ?
C19 P1 C2 C3 120.5(5) . . . . ?
C19 P1 C2 C1 -58.7(6) . . . . ?
C19 P1 C25 C30 -7.8(6) . . . . ?
C19 P1 C25 C26 169.4(5) . . . . ?
C19 C24 C23 C22 -1.5(10) . . . . ?
C24 C19 C20 C21 -0.8(10) . . . . ?
C24 C23 C22 C21 0.4(10) . . . . ?
C23 C22 C21 C20 0.5(10) . . . . ?
C22 C21 C20 C19 -0.3(11) . . . . ?
C20 C19 C24 C23 1.7(10) . . . . ?
C25 P1 C2 C3 1.1(6) . . . . ?
C25 P1 C2 C1 -178.0(5) . . . . ?
C25 P1 C19 C24 85.2(6) . . . . ?
C25 P1 C19 C20 -95.1(6) . . . . ?
C25 C30 C29 C28 -1.0(10) . . . . ?
C30 C25 C26 C27 0.5(9) . . . . ?
C30 C29 C28 C27 1.6(10) . . . . ?
C29 C28 C27 C26 -1.2(10) . . . . ?
C28 C27 C26 C25 0.2(10) . . . . ?
C26 C25 C30 C29 -0.1(9) . . . . ?
C7 C8 C9 C10 -0.2(10) . . . . ?
C8 C7 C12 C11 1.0(9) . . . . ?
C8 C9 C10 C11 1.0(11) . . . . ?
C9 C10 C11 C12 -0.7(11) . . . . ?
C10 C11 C12 C7 -0.2(10) . . . . ?
C12 C7 C8 C9 -0.7(10) . . . . ?
C13 C14 C15 C16 -1.1(10) . . . . ?
C14 C13 C18 C17 0.2(9) . . . . ?
C14 C15 C16 C17 -1.2(10) . . . . ?
C15 C16 C17 C18 3.0(10) . . . . ?
C16 C17 C18 C13 -2.5(9) . . . . ?
C18 C13 C14 C15 1.6(9) . . . . ?

_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_[5][BF4]2
_database_code_depnum_ccdc_archive 'CCDC 1902818'
loop_
_audit_author_name
_audit_author_address
'Mengxi Yang'
;Texas A M University
United States of America
;
_audit_update_record             
;
2019-03-12 deposited with the CCDC.	2019-04-17 downloaded from the CCDC.
;
_audit_creation_date             2016-07-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H32 P Sb, 2(B F4)'
_chemical_formula_sum            'C37 H32 B2 F8 P Sb'
_chemical_formula_weight         802.96
_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'
P P 0.1023 0.0942 '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                   18.8422(17)
_cell_length_b                   10.1309(9)
_cell_length_c                   17.5792(17)
_cell_angle_alpha                90
_cell_angle_beta                 93.042(3)
_cell_angle_gamma                90
_cell_volume                     3350.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9254
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.64
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.943
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1524 before and 0.0857 after correction.
The Ratio of minimum to maximum transmission is 0.7889.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            150424
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.870
_diffrn_reflns_theta_min         2.283
_diffrn_ambient_temperature      99.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_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                6949
_reflns_number_total             7944
_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    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.994
_refine_diff_density_min         -1.875
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.205
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7944
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.205
_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)+15.4158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0945
_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.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
2.b Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 -0.24721(2) 0.58380(2) -0.95055(2) 0.01138(6) Uani 1 1 d . . . . .
P1 P -0.22158(5) 0.21744(9) -1.01573(5) 0.01236(18) Uani 1 1 d . . . . .
C1 C -0.16803(18) 0.4842(3) -1.01033(19) 0.0128(7) Uani 1 1 d . . . . .
C2 C -0.16150(18) 0.3531(4) -1.03523(19) 0.0135(7) Uani 1 1 d . . . . .
C3 C -0.10678(19) 0.3240(4) -1.0835(2) 0.0171(7) Uani 1 1 d . . . . .
H3 H -0.1023 0.2383 -1.1015 0.021 Uiso 1 1 calc R . . . .
C4 C -0.05942(19) 0.4190(4) -1.1049(2) 0.0179(7) Uani 1 1 d . . . . .
H4 H -0.0242 0.3972 -1.1379 0.021 Uiso 1 1 calc R . . . .
C5 C -0.06400(19) 0.5462(4) -1.0777(2) 0.0173(7) Uani 1 1 d . . . . .
H5 H -0.0308 0.6095 -1.0902 0.021 Uiso 1 1 calc R . . . .
C6 C -0.11883(18) 0.5784(4) -1.0313(2) 0.0166(7) Uani 1 1 d . . . . .
H6 H -0.1228 0.6646 -1.0139 0.020 Uiso 1 1 calc R . . . .
C7 C -0.19318(19) 0.7193(3) -0.8773(2) 0.0142(7) Uani 1 1 d . . . . .
C8 C -0.1212(2) 0.7069(4) -0.8583(2) 0.0192(8) Uani 1 1 d . . . . .
H8 H -0.0959 0.6348 -0.8754 0.023 Uiso 1 1 calc R . . . .
C9 C -0.0869(2) 0.8033(4) -0.8134(2) 0.0233(8) Uani 1 1 d . . . . .
H9 H -0.0383 0.7968 -0.8014 0.028 Uiso 1 1 calc R . . . .
C10 C -0.1250(2) 0.9087(4) -0.7866(2) 0.0217(8) Uani 1 1 d . . . . .
H10 H -0.1018 0.9735 -0.7572 0.026 Uiso 1 1 calc R . . . .
C11 C -0.1973(2) 0.9183(4) -0.8034(2) 0.0205(8) Uani 1 1 d . . . . .
H11 H -0.2228 0.9880 -0.7838 0.025 Uiso 1 1 calc R . . . .
C12 C -0.2324(2) 0.8238(4) -0.8494(2) 0.0176(7) Uani 1 1 d . . . . .
H12 H -0.2809 0.8304 -0.8613 0.021 Uiso 1 1 calc R . . . .
C13 C -0.30345(18) 0.6908(3) -1.0369(2) 0.0136(7) Uani 1 1 d . . . . .
C14 C -0.36361(19) 0.7605(4) -1.0178(2) 0.0164(7) Uani 1 1 d . . . . .
H14 H -0.3765 0.7633 -0.9675 0.020 Uiso 1 1 calc R . . . .
C15 C -0.4043(2) 0.8259(4) -1.0741(2) 0.0192(8) Uani 1 1 d . . . . .
H15 H -0.4440 0.8740 -1.0615 0.023 Uiso 1 1 calc R . . . .
C16 C -0.3853(2) 0.8192(4) -1.1499(2) 0.0205(8) Uani 1 1 d . . . . .
H16 H -0.4133 0.8606 -1.1880 0.025 Uiso 1 1 calc R . . . .
C17 C -0.3249(2) 0.7510(4) -1.1682(2) 0.0207(8) Uani 1 1 d . . . . .
H17 H -0.3122 0.7477 -1.2185 0.025 Uiso 1 1 calc R . . . .
C18 C -0.2833(2) 0.6877(4) -1.1122(2) 0.0182(7) Uani 1 1 d . . . . .
H18 H -0.2422 0.6435 -1.1246 0.022 Uiso 1 1 calc R . . . .
C19 C -0.32704(18) 0.4872(4) -0.8938(2) 0.0141(7) Uani 1 1 d . . . . .
C20 C -0.3194(2) 0.4659(4) -0.8152(2) 0.0190(8) Uani 1 1 d . . . . .
H20 H -0.2778 0.4908 -0.7882 0.023 Uiso 1 1 calc R . . . .
C21 C -0.3738(2) 0.4078(4) -0.7782(2) 0.0231(8) Uani 1 1 d . . . . .
H21 H -0.3690 0.3932 -0.7259 0.028 Uiso 1 1 calc R . . . .
C22 C -0.4361(2) 0.3709(4) -0.8189(2) 0.0243(9) Uani 1 1 d . . . . .
H22 H -0.4728 0.3314 -0.7939 0.029 Uiso 1 1 calc R . . . .
C23 C -0.4434(2) 0.3929(4) -0.8971(2) 0.0242(9) Uani 1 1 d . . . . .
H23 H -0.4851 0.3678 -0.9240 0.029 Uiso 1 1 calc R . . . .
C24 C -0.38894(19) 0.4522(4) -0.9351(2) 0.0182(7) Uani 1 1 d . . . . .
H24 H -0.3939 0.4681 -0.9872 0.022 Uiso 1 1 calc R . . . .
C25 C -0.18025(19) 0.0733(4) -1.0542(2) 0.0166(7) Uani 1 1 d . . . . .
C26 C -0.1228(2) 0.0160(4) -1.0130(2) 0.0202(8) Uani 1 1 d . . . . .
H26 H -0.1122 0.0401 -0.9626 0.024 Uiso 1 1 calc R . . . .
C27 C -0.0817(2) -0.0774(4) -1.0481(2) 0.0238(8) Uani 1 1 d . . . . .
H27 H -0.0431 -0.1158 -1.0213 0.029 Uiso 1 1 calc R . . . .
C28 C -0.0981(2) -0.1135(4) -1.1232(2) 0.0247(9) Uani 1 1 d . . . . .
H28 H -0.0694 -0.1738 -1.1470 0.030 Uiso 1 1 calc R . . . .
C29 C -0.1566(2) -0.0609(4) -1.1629(2) 0.0240(8) Uani 1 1 d . . . . .
H29 H -0.1685 -0.0885 -1.2124 0.029 Uiso 1 1 calc R . . . .
C30 C -0.1978(2) 0.0334(4) -1.1284(2) 0.0206(8) Uani 1 1 d . . . . .
H30 H -0.2370 0.0698 -1.1551 0.025 Uiso 1 1 calc R . . . .
C31 C -0.30528(18) 0.2522(4) -1.0642(2) 0.0146(7) Uani 1 1 d . . . . .
C32 C -0.3650(2) 0.1809(4) -1.0432(2) 0.0195(8) Uani 1 1 d . . . . .
H32 H -0.3605 0.1150 -1.0065 0.023 Uiso 1 1 calc R . . . .
C33 C -0.4307(2) 0.2103(4) -1.0779(2) 0.0215(8) Uani 1 1 d . . . . .
H33 H -0.4706 0.1633 -1.0648 0.026 Uiso 1 1 calc R . . . .
C34 C -0.4374(2) 0.3098(4) -1.1325(2) 0.0242(9) Uani 1 1 d . . . . .
H34 H -0.4820 0.3295 -1.1551 0.029 Uiso 1 1 calc R . . . .
C35 C -0.3788(2) 0.3794(4) -1.1534(2) 0.0239(9) Uani 1 1 d . . . . .
H35 H -0.3837 0.4460 -1.1897 0.029 Uiso 1 1 calc R . . . .
C36 C -0.3121(2) 0.3494(4) -1.1200(2) 0.0202(8) Uani 1 1 d . . . . .
H36 H -0.2722 0.3944 -1.1349 0.024 Uiso 1 1 calc R . . . .
C37 C -0.2345(2) 0.1901(4) -0.9164(2) 0.0204(8) Uani 1 1 d . . . . .
H37A H -0.1894 0.1738 -0.8900 0.031 Uiso 1 1 calc GR . . . .
H37B H -0.2650 0.1152 -0.9108 0.031 Uiso 1 1 calc GR . . . .
H37C H -0.2560 0.2668 -0.8952 0.031 Uiso 1 1 calc GR . . . .
F1 F -0.40843(12) -0.1629(2) -0.83959(14) 0.0268(5) Uani 1 1 d . . . . .
F2 F -0.43677(13) 0.0014(2) -0.92430(13) 0.0287(5) Uani 1 1 d . . . . .
F3 F -0.35269(12) 0.0361(3) -0.82894(16) 0.0328(6) Uani 1 1 d . . . . .
F4 F -0.46953(12) 0.0189(3) -0.80203(13) 0.0286(6) Uani 1 1 d . . . . .
B1 B -0.4174(2) -0.0257(5) -0.8484(3) 0.0209(9) Uani 1 1 d . . . . .
F5 F -0.07375(12) 0.2679(2) -0.87509(14) 0.0280(5) Uani 1 1 d . . . . .
F6 F -0.15701(11) 0.4163(2) -0.83946(13) 0.0236(5) Uani 1 1 d . . . . .
F7 F -0.04439(12) 0.4290(3) -0.78829(14) 0.0289(5) Uani 1 1 d . . . . .
F8 F -0.11573(16) 0.2585(3) -0.75636(14) 0.0377(6) Uani 1 1 d . . . . .
B2 B -0.0972(2) 0.3415(4) -0.8135(2) 0.0187(8) 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 2.125(3) . ?
Sb1 C7 2.108(3) . ?
Sb1 C13 2.105(3) . ?
Sb1 C19 2.091(3) . ?
P1 C2 1.825(4) . ?
P1 C25 1.804(4) . ?
P1 C31 1.788(4) . ?
P1 C37 1.798(4) . ?
C1 C2 1.406(5) . ?
C1 C6 1.393(5) . ?
C2 C3 1.401(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.379(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.386(5) . ?
C7 C12 1.394(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.393(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.383(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.392(5) . ?
C13 C18 1.397(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.399(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.384(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.383(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(5) . ?
C19 C24 1.387(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.375(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.394(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.391(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.391(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.396(5) . ?
C25 C30 1.389(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.388(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.389(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.380(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.390(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.403(5) . ?
C31 C36 1.390(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.383(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.376(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.392(5) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
F1 B1 1.409(5) . ?
F2 B1 1.391(5) . ?
F3 B1 1.397(5) . ?
F4 B1 1.385(5) . ?
F5 B2 1.405(5) . ?
F6 B2 1.414(5) . ?
F7 B2 1.387(5) . ?
F8 B2 1.370(5) . ?

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
C7 Sb1 C1 106.41(14) . . ?
C13 Sb1 C1 103.17(13) . . ?
C13 Sb1 C7 108.26(14) . . ?
C19 Sb1 C1 123.74(13) . . ?
C19 Sb1 C7 110.47(14) . . ?
C19 Sb1 C13 103.74(14) . . ?
C25 P1 C2 104.77(17) . . ?
C31 P1 C2 107.61(17) . . ?
C31 P1 C25 111.59(16) . . ?
C31 P1 C37 109.41(18) . . ?
C37 P1 C2 114.58(17) . . ?
C37 P1 C25 108.86(18) . . ?
C2 C1 Sb1 132.7(3) . . ?
C6 C1 Sb1 107.5(3) . . ?
C6 C1 C2 119.6(3) . . ?
C1 C2 P1 126.0(3) . . ?
C3 C2 P1 116.1(3) . . ?
C3 C2 C1 117.8(3) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 119.0(3) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 H6 119.3 . . ?
C5 C6 C1 121.4(3) . . ?
C5 C6 H6 119.3 . . ?
C8 C7 Sb1 121.5(3) . . ?
C8 C7 C12 121.0(3) . . ?
C12 C7 Sb1 117.5(3) . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.4(4) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(4) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 118.7(3) . . ?
C7 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C14 C13 Sb1 118.2(3) . . ?
C14 C13 C18 120.4(3) . . ?
C18 C13 Sb1 121.3(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(4) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.4(3) . . ?
C17 C18 H18 120.3 . . ?
C20 C19 Sb1 120.3(3) . . ?
C24 C19 Sb1 118.4(3) . . ?
C24 C19 C20 121.1(3) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0(4) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(4) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 118.7(4) . . ?
C19 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
C26 C25 P1 118.7(3) . . ?
C30 C25 P1 120.1(3) . . ?
C30 C25 C26 120.4(4) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.2(4) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.1(4) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(4) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.7(4) . . ?
C30 C29 H29 120.2 . . ?
C25 C30 C29 119.9(4) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C32 C31 P1 118.2(3) . . ?
C36 C31 P1 121.5(3) . . ?
C36 C31 C32 120.3(3) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 C31 119.0(4) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 119.8 . . ?
C32 C33 C34 120.4(4) . . ?
C34 C33 H33 119.8 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(4) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.7(4) . . ?
C36 C35 H35 120.2 . . ?
C31 C36 C35 120.0(4) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
P1 C37 H37A 109.5 . . ?
P1 C37 H37B 109.5 . . ?
P1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F2 B1 F1 108.9(3) . . ?
F2 B1 F3 109.1(3) . . ?
F3 B1 F1 108.5(3) . . ?
F4 B1 F1 109.9(3) . . ?
F4 B1 F2 110.0(3) . . ?
F4 B1 F3 110.3(4) . . ?
F5 B2 F6 108.3(3) . . ?
F7 B2 F5 109.6(3) . . ?
F7 B2 F6 107.9(3) . . ?
F8 B2 F5 110.0(3) . . ?
F8 B2 F6 109.6(3) . . ?
F8 B2 F7 111.4(3) . . ?

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
Sb1 C1 C2 P1 -4.9(5) . . . . ?
Sb1 C1 C2 C3 170.8(3) . . . . ?
Sb1 C1 C6 C5 -173.8(3) . . . . ?
Sb1 C7 C8 C9 176.1(3) . . . . ?
Sb1 C7 C12 C11 -177.3(3) . . . . ?
Sb1 C13 C14 C15 -176.3(3) . . . . ?
Sb1 C13 C18 C17 174.9(3) . . . . ?
Sb1 C19 C20 C21 177.0(3) . . . . ?
Sb1 C19 C24 C23 -177.3(3) . . . . ?
P1 C2 C3 C4 177.6(3) . . . . ?
P1 C25 C26 C27 -167.2(3) . . . . ?
P1 C25 C30 C29 167.5(3) . . . . ?
P1 C31 C32 C33 177.4(3) . . . . ?
P1 C31 C36 C35 -176.2(3) . . . . ?
C1 C2 C3 C4 1.5(5) . . . . ?
C2 P1 C25 C26 77.5(3) . . . . ?
C2 P1 C25 C30 -92.3(3) . . . . ?
C2 P1 C31 C32 -164.2(3) . . . . ?
C2 P1 C31 C36 14.0(3) . . . . ?
C2 C1 C6 C5 1.2(5) . . . . ?
C2 C3 C4 C5 1.4(6) . . . . ?
C3 C4 C5 C6 -2.9(5) . . . . ?
C4 C5 C6 C1 1.6(5) . . . . ?
C6 C1 C2 P1 -178.4(3) . . . . ?
C6 C1 C2 C3 -2.7(5) . . . . ?
C7 C8 C9 C10 1.5(6) . . . . ?
C8 C7 C12 C11 1.6(5) . . . . ?
C8 C9 C10 C11 0.8(6) . . . . ?
C9 C10 C11 C12 -2.0(6) . . . . ?
C10 C11 C12 C7 0.7(6) . . . . ?
C12 C7 C8 C9 -2.8(6) . . . . ?
C13 C14 C15 C16 1.2(6) . . . . ?
C14 C13 C18 C17 -2.1(6) . . . . ?
C14 C15 C16 C17 -2.0(6) . . . . ?
C15 C16 C17 C18 0.8(6) . . . . ?
C16 C17 C18 C13 1.3(6) . . . . ?
C18 C13 C14 C15 0.8(5) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
C20 C19 C24 C23 -1.1(6) . . . . ?
C20 C21 C22 C23 -0.1(6) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
C22 C23 C24 C19 0.8(6) . . . . ?
C24 C19 C20 C21 0.8(6) . . . . ?
C25 P1 C2 C1 -174.4(3) . . . . ?
C25 P1 C2 C3 9.9(3) . . . . ?
C25 P1 C31 C32 81.3(3) . . . . ?
C25 P1 C31 C36 -100.4(3) . . . . ?
C25 C26 C27 C28 -0.4(6) . . . . ?
C26 C25 C30 C29 -2.1(6) . . . . ?
C26 C27 C28 C29 -2.3(6) . . . . ?
C27 C28 C29 C30 2.8(6) . . . . ?
C28 C29 C30 C25 -0.6(6) . . . . ?
C30 C25 C26 C27 2.6(6) . . . . ?
C31 P1 C2 C1 66.7(3) . . . . ?
C31 P1 C2 C3 -109.0(3) . . . . ?
C31 P1 C25 C26 -166.3(3) . . . . ?
C31 P1 C25 C30 23.8(4) . . . . ?
C31 C32 C33 C34 -0.5(6) . . . . ?
C32 C31 C36 C35 2.1(6) . . . . ?
C32 C33 C34 C35 0.8(6) . . . . ?
C33 C34 C35 C36 0.4(6) . . . . ?
C34 C35 C36 C31 -1.8(6) . . . . ?
C36 C31 C32 C33 -0.9(5) . . . . ?
C37 P1 C2 C1 -55.2(4) . . . . ?
C37 P1 C2 C3 129.1(3) . . . . ?
C37 P1 C25 C26 -45.5(3) . . . . ?
C37 P1 C25 C30 144.7(3) . . . . ?
C37 P1 C31 C32 -39.2(3) . . . . ?
C37 P1 C31 C36 139.1(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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][BF4]
_database_code_depnum_ccdc_archive 'CCDC 1902817'
loop_
_audit_author_name
_audit_author_address
'Mengxi Yang'
;Texas A M University
United States of America
;
_audit_update_record             
;
2019-03-12 deposited with the CCDC.	2019-04-17 downloaded from the CCDC.
;
_audit_creation_date             2018-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H29 P Sb, B F4'
_chemical_formula_sum            'C36 H29 B F4 P Sb'
_chemical_formula_weight         701.12
_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'
P P 0.1023 0.0942 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.9669(5)
_cell_length_b                   22.7967(10)
_cell_length_c                   13.2630(6)
_cell_angle_alpha                90
_cell_angle_beta                 111.988(2)
_cell_angle_gamma                90
_cell_volume                     3074.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7211
_cell_measurement_temperature    110
_cell_measurement_theta_max      20.29
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.998
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0973 before and 0.0753 after correction. The Ratio of minimum to maximum transmission is 0.7760. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1201
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            66668
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.823
_diffrn_reflns_theta_min         1.787
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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                5256
_reflns_number_total             7289
_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    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.271
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         7289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0488P)²+1.4156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1108
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C3(H3), C32(H32), C33(H33), C34(H34), C35(H35),
 C36(H36), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C12(H12), C11(H11),
  C10(H10), C9(H9), C8(H8), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18),
 C24(H24), C23(H23), C22(H22), C21(H21), 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 1.03008(2) -0.11002(2) 0.16748(2) 0.01906(8) Uani 1 1 d . . . . .
P1 P 1.16908(10) -0.04353(4) 0.40617(8) 0.0213(2) Uani 1 1 d . . . . .
C1 C 1.1927(3) -0.05411(15) 0.2053(3) 0.0195(7) Uani 1 1 d . . . . .
C6 C 1.2428(4) -0.04327(15) 0.1262(3) 0.0216(8) Uani 1 1 d . . . . .
H6 H 1.2114 -0.0640 0.0612 0.026 Uiso 1 1 calc R . . . .
C5 C 1.3399(4) -0.00152(15) 0.1437(3) 0.0223(8) Uani 1 1 d . . . . .
H5 H 1.3729 0.0065 0.0900 0.027 Uiso 1 1 calc R . . . .
C4 C 1.3879(4) 0.02823(16) 0.2418(3) 0.0239(8) Uani 1 1 d . . . . .
H4 H 1.4524 0.0567 0.2533 0.029 Uiso 1 1 calc R . . . .
C3 C 1.3408(4) 0.01600(16) 0.3228(3) 0.0241(8) Uani 1 1 d . . . . .
H3 H 1.3755 0.0357 0.3889 0.029 Uiso 1 1 calc R . . . .
C2 C 1.2418(4) -0.02571(15) 0.3064(3) 0.0201(7) Uani 1 1 d . . . . .
C31 C 1.1957(4) 0.02527(15) 0.4812(3) 0.0209(8) Uani 1 1 d . . . . .
C32 C 1.3065(4) 0.03729(17) 0.5722(3) 0.0272(9) Uani 1 1 d . . . . .
H32 H 1.3677 0.0077 0.6027 0.033 Uiso 1 1 calc R . . . .
C33 C 1.3279(4) 0.09269(18) 0.6187(3) 0.0300(9) Uani 1 1 d . . . . .
H33 H 1.4025 0.1004 0.6801 0.036 Uiso 1 1 calc R . . . .
C34 C 1.2365(4) 0.13625(17) 0.5722(3) 0.0302(9) Uani 1 1 d . . . . .
H34 H 1.2516 0.1740 0.6010 0.036 Uiso 1 1 calc R . . . .
C35 C 1.1243(4) 0.12473(17) 0.4846(3) 0.0308(9) Uani 1 1 d . . . . .
H35 H 1.0620 0.1541 0.4560 0.037 Uiso 1 1 calc R . . . .
C36 C 1.1033(4) 0.06967(16) 0.4383(3) 0.0255(8) Uani 1 1 d . . . . .
H36 H 1.0271 0.0621 0.3782 0.031 Uiso 1 1 calc R . . . .
C25 C 1.2912(4) -0.09232(15) 0.4989(3) 0.0227(8) Uani 1 1 d . . . . .
C26 C 1.4056(4) -0.11046(15) 0.4858(3) 0.0238(8) Uani 1 1 d . . . . .
H26 H 1.4259 -0.0955 0.4288 0.029 Uiso 1 1 calc R . . . .
C27 C 1.4895(4) -0.15054(17) 0.5569(3) 0.0282(9) Uani 1 1 d . . . . .
H27 H 1.5658 -0.1622 0.5476 0.034 Uiso 1 1 calc R . . . .
C28 C 1.4600(4) -0.17305(17) 0.6414(3) 0.0327(10) Uani 1 1 d . . . . .
H28 H 1.5169 -0.1996 0.6894 0.039 Uiso 1 1 calc R . . . .
C29 C 1.3462(5) -0.15630(19) 0.6548(4) 0.0393(11) Uani 1 1 d . . . . .
H29 H 1.3256 -0.1719 0.7113 0.047 Uiso 1 1 calc R . . . .
C30 C 1.2630(4) -0.11623(17) 0.5840(3) 0.0309(9) Uani 1 1 d . . . . .
H30 H 1.1865 -0.1050 0.5936 0.037 Uiso 1 1 calc R . . . .
C7 C 0.8691(4) -0.05633(15) 0.1526(3) 0.0205(8) Uani 1 1 d . . . . .
C12 C 0.7450(4) -0.07857(16) 0.1341(3) 0.0236(8) Uani 1 1 d . . . . .
H12 H 0.7304 -0.1188 0.1281 0.028 Uiso 1 1 calc R . . . .
C11 C 0.6434(4) -0.04087(17) 0.1246(3) 0.0276(9) Uani 1 1 d . . . . .
H11 H 0.5601 -0.0557 0.1126 0.033 Uiso 1 1 calc R . . . .
C10 C 0.6644(4) 0.01896(17) 0.1328(3) 0.0272(8) Uani 1 1 d . . . . .
H10 H 0.5953 0.0442 0.1266 0.033 Uiso 1 1 calc R . . . .
C9 C 0.7881(4) 0.04174(16) 0.1502(3) 0.0256(8) Uani 1 1 d . . . . .
H9 H 0.8020 0.0821 0.1550 0.031 Uiso 1 1 calc R . . . .
C8 C 0.8905(4) 0.00385(15) 0.1603(3) 0.0222(8) Uani 1 1 d . . . . .
H8 H 0.9737 0.0187 0.1724 0.027 Uiso 1 1 calc R . . . .
C13 C 0.9986(4) -0.14251(15) 0.0119(3) 0.0216(8) Uani 1 1 d . . . . .
C14 C 0.9045(4) -0.11714(15) -0.0790(3) 0.0236(8) Uani 1 1 d . . . . .
H14 H 0.8542 -0.0860 -0.0710 0.028 Uiso 1 1 calc R . . . .
C15 C 0.8855(4) -0.13811(17) -0.1812(3) 0.0295(9) Uani 1 1 d . . . . .
H15 H 0.8221 -0.1212 -0.2421 0.035 Uiso 1 1 calc R . . . .
C16 C 0.9602(4) -0.18411(18) -0.1935(3) 0.0351(10) Uani 1 1 d . . . . .
H16 H 0.9476 -0.1981 -0.2625 0.042 Uiso 1 1 calc R . . . .
C17 C 1.0539(5) -0.20930(18) -0.1031(3) 0.0364(10) Uani 1 1 d . . . . .
H17 H 1.1038 -0.2405 -0.1118 0.044 Uiso 1 1 calc R . . . .
C18 C 1.0747(4) -0.18907(17) 0.0002(3) 0.0302(9) Uani 1 1 d . . . . .
H18 H 1.1384 -0.2062 0.0608 0.036 Uiso 1 1 calc R . . . .
C19 C 1.0614(4) -0.18024(14) 0.2754(3) 0.0207(8) Uani 1 1 d . . . . .
C24 C 1.1856(4) -0.20459(16) 0.3194(3) 0.0259(8) Uani 1 1 d . . . . .
H24 H 1.2524 -0.1913 0.2979 0.031 Uiso 1 1 calc R . . . .
C23 C 1.2098(4) -0.24890(17) 0.3957(3) 0.0315(9) Uani 1 1 d . . . . .
H23 H 1.2927 -0.2660 0.4253 0.038 Uiso 1 1 calc R . . . .
C22 C 1.1097(4) -0.26772(17) 0.4280(3) 0.0319(10) Uani 1 1 d . . . . .
H22 H 1.1260 -0.2971 0.4800 0.038 Uiso 1 1 calc R . . . .
C21 C 0.9866(4) -0.24325(17) 0.3837(3) 0.0305(9) Uani 1 1 d . . . . .
H21 H 0.9199 -0.2565 0.4052 0.037 Uiso 1 1 calc R . . . .
C20 C 0.9612(4) -0.19916(16) 0.3074(3) 0.0265(9) Uani 1 1 d . . . . .
H20 H 0.8781 -0.1823 0.2779 0.032 Uiso 1 1 calc R . . . .
F1 F 1.3757(2) -0.23606(9) 0.07896(18) 0.0321(5) Uani 1 1 d . . . . .
F2 F 1.3907(3) -0.16220(11) 0.1968(2) 0.0408(6) Uani 1 1 d . . . . .
F3 F 1.5736(3) -0.19464(12) 0.1742(2) 0.0469(7) Uani 1 1 d . . . . .
F4 F 1.4195(3) -0.14379(11) 0.0392(2) 0.0489(7) Uani 1 1 d . . . . .
B1 B 1.4401(5) -0.18414(19) 0.1225(4) 0.0283(10) 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 2.095(4) . ?
Sb1 C7 2.096(4) . ?
Sb1 C13 2.096(4) . ?
Sb1 C19 2.088(3) . ?
P1 C2 1.828(4) . ?
P1 C31 1.822(4) . ?
P1 C25 1.819(4) . ?
C1 C6 1.376(5) . ?
C1 C2 1.403(5) . ?
C6 H6 0.9300 . ?
C6 C5 1.382(5) . ?
C5 H5 0.9300 . ?
C5 C4 1.384(5) . ?
C4 H4 0.9300 . ?
C4 C3 1.383(5) . ?
C3 H3 0.9300 . ?
C3 C2 1.398(5) . ?
C31 C32 1.382(5) . ?
C31 C36 1.394(5) . ?
C32 H32 0.9300 . ?
C32 C33 1.386(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.382(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.365(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.378(5) . ?
C36 H36 0.9300 . ?
C25 C26 1.391(5) . ?
C25 C30 1.390(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.386(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.376(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.381(6) . ?
C30 H30 0.9300 . ?
C7 C12 1.386(5) . ?
C7 C8 1.389(5) . ?
C12 H12 0.9300 . ?
C12 C11 1.375(5) . ?
C11 H11 0.9300 . ?
C11 C10 1.381(5) . ?
C10 H10 0.9300 . ?
C10 C9 1.389(5) . ?
C9 H9 0.9300 . ?
C9 C8 1.382(5) . ?
C8 H8 0.9300 . ?
C13 C14 1.386(5) . ?
C13 C18 1.395(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.378(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.380(6) . ?
C18 H18 0.9300 . ?
C19 C24 1.382(5) . ?
C19 C20 1.387(5) . ?
C24 H24 0.9300 . ?
C24 C23 1.384(5) . ?
C23 H23 0.9300 . ?
C23 C22 1.387(6) . ?
C22 H22 0.9300 . ?
C22 C21 1.372(6) . ?
C21 H21 0.9300 . ?
C21 C20 1.378(5) . ?
C20 H20 0.9300 . ?
F1 B1 1.388(5) . ?
F2 B1 1.383(5) . ?
F3 B1 1.386(5) . ?
F4 B1 1.390(5) . ?

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 C7 106.18(14) . . ?
C1 Sb1 C13 105.20(14) . . ?
C7 Sb1 C13 106.92(14) . . ?
C19 Sb1 C1 113.30(14) . . ?
C19 Sb1 C7 115.42(14) . . ?
C19 Sb1 C13 109.15(13) . . ?
C31 P1 C2 100.38(16) . . ?
C25 P1 C2 102.40(17) . . ?
C25 P1 C31 103.31(17) . . ?
C6 C1 Sb1 118.3(3) . . ?
C6 C1 C2 121.7(3) . . ?
C2 C1 Sb1 119.8(3) . . ?
C1 C6 H6 120.1 . . ?
C1 C6 C5 119.9(3) . . ?
C5 C6 H6 120.1 . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C4 119.6(3) . . ?
C4 C5 H5 120.2 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.7(3) . . ?
C3 C4 H4 119.7 . . ?
C4 C3 H3 119.7 . . ?
C4 C3 C2 120.7(3) . . ?
C2 C3 H3 119.7 . . ?
C1 C2 P1 118.3(3) . . ?
C3 C2 P1 124.2(3) . . ?
C3 C2 C1 117.4(3) . . ?
C32 C31 P1 123.8(3) . . ?
C32 C31 C36 118.7(3) . . ?
C36 C31 P1 117.3(3) . . ?
C31 C32 H32 119.5 . . ?
C31 C32 C33 121.1(4) . . ?
C33 C32 H32 119.5 . . ?
C32 C33 H33 120.6 . . ?
C34 C33 C32 118.8(4) . . ?
C34 C33 H33 120.6 . . ?
C33 C34 H34 119.5 . . ?
C35 C34 C33 120.9(4) . . ?
C35 C34 H34 119.5 . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.1(4) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 H36 119.9 . . ?
C35 C36 C31 120.3(4) . . ?
C35 C36 H36 119.9 . . ?
C26 C25 P1 124.6(3) . . ?
C30 C25 P1 117.2(3) . . ?
C30 C25 C26 118.0(3) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.7(4) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.1(4) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.7(4) . . ?
C30 C29 H29 120.2 . . ?
C25 C30 H30 119.3 . . ?
C29 C30 C25 121.4(4) . . ?
C29 C30 H30 119.3 . . ?
C12 C7 Sb1 122.7(3) . . ?
C12 C7 C8 120.1(3) . . ?
C8 C7 Sb1 117.2(3) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 C7 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C12 C11 H11 119.8 . . ?
C12 C11 C10 120.3(4) . . ?
C10 C11 H11 119.8 . . ?
C11 C10 H10 119.8 . . ?
C11 C10 C9 120.4(4) . . ?
C9 C10 H10 119.8 . . ?
C10 C9 H9 120.3 . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8 119.9 . . ?
C14 C13 Sb1 120.2(3) . . ?
C14 C13 C18 120.2(3) . . ?
C18 C13 Sb1 119.6(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.8(4) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.1(4) . . ?
C18 C17 H17 119.4 . . ?
C13 C18 H18 120.6 . . ?
C17 C18 C13 118.7(4) . . ?
C17 C18 H18 120.6 . . ?
C24 C19 Sb1 118.7(3) . . ?
C24 C19 C20 121.0(3) . . ?
C20 C19 Sb1 120.2(3) . . ?
C19 C24 H24 120.3 . . ?
C19 C24 C23 119.4(4) . . ?
C23 C24 H24 120.3 . . ?
C24 C23 H23 120.2 . . ?
C24 C23 C22 119.6(4) . . ?
C22 C23 H23 120.2 . . ?
C23 C22 H22 119.8 . . ?
C21 C22 C23 120.5(4) . . ?
C21 C22 H22 119.8 . . ?
C22 C21 H21 119.8 . . ?
C22 C21 C20 120.4(4) . . ?
C20 C21 H21 119.8 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.1(4) . . ?
C21 C20 H20 120.5 . . ?
F1 B1 F4 109.1(4) . . ?
F2 B1 F1 109.3(3) . . ?
F2 B1 F3 109.4(4) . . ?
F2 B1 F4 109.7(3) . . ?
F3 B1 F1 109.7(3) . . ?
F3 B1 F4 109.6(4) . . ?

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
Sb1 C1 C6 C5 172.5(3) . . . . ?
Sb1 C1 C2 P1 4.9(4) . . . . ?
Sb1 C1 C2 C3 -173.1(3) . . . . ?
Sb1 C7 C12 C11 -179.7(3) . . . . ?
Sb1 C7 C8 C9 179.4(3) . . . . ?
Sb1 C13 C14 C15 179.1(3) . . . . ?
Sb1 C13 C18 C17 -179.1(3) . . . . ?
Sb1 C19 C24 C23 176.3(3) . . . . ?
Sb1 C19 C20 C21 -176.1(3) . . . . ?
P1 C31 C32 C33 172.8(3) . . . . ?
P1 C31 C36 C35 -173.3(3) . . . . ?
P1 C25 C26 C27 -176.1(3) . . . . ?
P1 C25 C30 C29 176.3(3) . . . . ?
C1 C6 C5 C4 1.3(5) . . . . ?
C6 C1 C2 P1 -179.6(3) . . . . ?
C6 C1 C2 C3 2.4(5) . . . . ?
C6 C5 C4 C3 0.9(5) . . . . ?
C5 C4 C3 C2 -1.5(5) . . . . ?
C4 C3 C2 P1 -178.0(3) . . . . ?
C4 C3 C2 C1 -0.1(5) . . . . ?
C2 P1 C31 C32 -90.6(3) . . . . ?
C2 P1 C31 C36 83.9(3) . . . . ?
C2 P1 C25 C26 -2.4(4) . . . . ?
C2 P1 C25 C30 -177.6(3) . . . . ?
C2 C1 C6 C5 -3.0(5) . . . . ?
C31 P1 C2 C1 -151.4(3) . . . . ?
C31 P1 C2 C3 26.4(3) . . . . ?
C31 P1 C25 C26 -106.4(3) . . . . ?
C31 P1 C25 C30 78.5(3) . . . . ?
C31 C32 C33 C34 -0.3(6) . . . . ?
C32 C31 C36 C35 1.6(6) . . . . ?
C32 C33 C34 C35 2.5(6) . . . . ?
C33 C34 C35 C36 -2.6(6) . . . . ?
C34 C35 C36 C31 0.6(6) . . . . ?
C36 C31 C32 C33 -1.7(6) . . . . ?
C25 P1 C2 C1 102.4(3) . . . . ?
C25 P1 C2 C3 -79.8(3) . . . . ?
C25 P1 C31 C32 14.9(4) . . . . ?
C25 P1 C31 C36 -170.5(3) . . . . ?
C25 C26 C27 C28 0.2(6) . . . . ?
C26 C25 C30 C29 0.8(6) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
C27 C28 C29 C30 -0.9(7) . . . . ?
C28 C29 C30 C25 0.1(7) . . . . ?
C30 C25 C26 C27 -1.0(6) . . . . ?
C7 C12 C11 C10 0.4(6) . . . . ?
C12 C7 C8 C9 0.3(6) . . . . ?
C12 C11 C10 C9 0.3(6) . . . . ?
C11 C10 C9 C8 -0.6(6) . . . . ?
C10 C9 C8 C7 0.3(6) . . . . ?
C8 C7 C12 C11 -0.7(6) . . . . ?
C13 C14 C15 C16 -0.3(6) . . . . ?
C14 C13 C18 C17 -0.3(6) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C15 C16 C17 C18 -0.3(7) . . . . ?
C16 C17 C18 C13 0.3(7) . . . . ?
C18 C13 C14 C15 0.3(6) . . . . ?
C19 C24 C23 C22 -0.8(6) . . . . ?
C24 C19 C20 C21 -0.6(5) . . . . ?
C24 C23 C22 C21 0.8(6) . . . . ?
C23 C22 C21 C20 -0.7(6) . . . . ?
C22 C21 C20 C19 0.6(6) . . . . ?
C20 C19 C24 C23 0.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
