# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_vg_0902_a_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2106460'
loop_
_audit_author_name
_audit_author_address
'Gyeongjin Park'
;Texas A and M Univeristy
United States of America
;
_audit_update_record             
;
2021-08-30 deposited with the CCDC.	2021-11-12 downloaded from the CCDC.
;
_audit_creation_date             2021-04-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H29 O P Sb, B F4'
_chemical_formula_sum            'C36 H29 B F4 O P Sb'
_chemical_formula_weight         717.12
_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'
O O 0.0106 0.0060 '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      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                   10.2656(7)
_cell_length_b                   12.2123(9)
_cell_length_c                   12.9782(9)
_cell_angle_alpha                90.978(2)
_cell_angle_beta                 109.420(2)
_cell_angle_gamma                92.554(2)
_cell_volume                     1532.06(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      30.558
_cell_measurement_theta_min      2.318
_shelx_estimated_absorpt_T_max   0.906
_shelx_estimated_absorpt_T_min   0.870
_exptl_absorpt_coefficient_mu    1.006
_exptl_absorpt_correction_T_max  0.3812
_exptl_absorpt_correction_T_min  0.3452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0628 before and 0.0515 after correction. The Ratio of minimum to maximum transmission is 0.9056. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.142
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            44983
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_min         2.107
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_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                8079
_reflns_number_total             8943
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8943
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0240
_refine_ls_restrained_S_all      1.027
_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)+(0.0157P)²+1.0542P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0531
_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:
 C27(H27), C26(H26), C5(H5), C9(H9), C24(H24), C32(H32), C3(H3), C30(H30),
 C4(H4), C6(H6), C20(H20), C28(H28), C18(H18), C21(H21), C36(H36), C14(H14),
 C10(H10), C33(H33), C17(H17), C12(H12), C35(H35), C16(H16), C29(H29), C34(H34),
  C23(H23), C8(H8), C15(H15), C22(H22), C11(H11)
;
_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 0.67081(2) 0.32455(2) 0.21491(2) 0.01337(3) Uani 1 1 d . . . . .
P1 P 0.44026(4) 0.28797(3) 0.34801(3) 0.01364(7) Uani 1 1 d . . . . .
F2 F 1.03022(12) 0.01938(10) 0.87441(9) 0.0326(3) Uani 1 1 d . . . . .
O1 O 0.57731(11) 0.34835(9) 0.36266(9) 0.0161(2) Uani 1 1 d . . . . .
F1 F 0.93951(12) -0.03589(11) 0.69649(10) 0.0407(3) Uani 1 1 d . . . . .
F4 F 1.16025(12) 0.03344(10) 0.76244(11) 0.0393(3) Uani 1 1 d . . . . .
F3 F 0.98451(17) 0.14530(11) 0.74405(11) 0.0501(4) Uani 1 1 d . . . . .
C19 C 0.83361(15) 0.28079(12) 0.35182(12) 0.0144(3) Uani 1 1 d . . . . .
C2 C 0.40323(15) 0.20177(12) 0.22715(12) 0.0144(3) Uani 1 1 d . . . . .
C1 C 0.49275(15) 0.21396(12) 0.16609(12) 0.0149(3) Uani 1 1 d . . . . .
C27 C 0.22293(17) 0.54072(14) 0.39449(14) 0.0211(3) Uani 1 1 d . . . . .
H27 H 0.229749 0.591760 0.452351 0.025 Uiso 1 1 calc R . . . .
C13 C 0.74896(16) 0.29269(13) 0.08558(13) 0.0166(3) Uani 1 1 d . . . . .
C26 C 0.31235(17) 0.45571(13) 0.41166(13) 0.0188(3) Uani 1 1 d . . . . .
H26 H 0.379609 0.448121 0.481678 0.023 Uiso 1 1 calc R . . . .
C31 C 0.44799(16) 0.20605(12) 0.46283(12) 0.0150(3) Uani 1 1 d . . . . .
C25 C 0.30391(15) 0.38133(12) 0.32651(13) 0.0151(3) Uani 1 1 d . . . . .
C5 C 0.35391(17) 0.07464(14) 0.03687(14) 0.0207(3) Uani 1 1 d . . . . .
H5 H 0.336218 0.031904 -0.028662 0.025 Uiso 1 1 calc R . . . .
C9 C 0.59831(19) 0.67182(14) 0.26041(15) 0.0255(4) Uani 1 1 d . . . . .
H9 H 0.551527 0.713203 0.298567 0.031 Uiso 1 1 calc R . . . .
C24 C 0.83112(17) 0.17728(13) 0.39424(14) 0.0209(3) Uani 1 1 d . . . . .
H24 H 0.760617 0.123453 0.357197 0.025 Uiso 1 1 calc R . . . .
C32 C 0.32785(17) 0.16260(13) 0.47827(13) 0.0174(3) Uani 1 1 d . . . . .
H32 H 0.239479 0.179868 0.430116 0.021 Uiso 1 1 calc R . . . .
C3 C 0.29096(16) 0.12538(13) 0.19340(13) 0.0173(3) Uani 1 1 d . . . . .
H3 H 0.231398 0.116532 0.235503 0.021 Uiso 1 1 calc R . . . .
C30 C 0.20293(17) 0.39160(14) 0.22456(14) 0.0205(3) Uani 1 1 d . . . . .
H30 H 0.195945 0.341085 0.166244 0.025 Uiso 1 1 calc R . . . .
C4 C 0.26629(17) 0.06209(13) 0.09787(14) 0.0193(3) Uani 1 1 d . . . . .
H4 H 0.189506 0.010356 0.074489 0.023 Uiso 1 1 calc R . . . .
C6 C 0.46759(17) 0.14940(13) 0.07097(13) 0.0184(3) Uani 1 1 d . . . . .
H6 H 0.528083 0.156477 0.029456 0.022 Uiso 1 1 calc R . . . .
C20 C 0.93860(17) 0.35917(14) 0.40353(14) 0.0204(3) Uani 1 1 d . . . . .
H20 H 0.940785 0.429255 0.373319 0.024 Uiso 1 1 calc R . . . .
C28 C 0.12354(18) 0.55092(14) 0.29258(15) 0.0233(3) Uani 1 1 d . . . . .
H28 H 0.062894 0.609496 0.280459 0.028 Uiso 1 1 calc R . . . .
C18 C 0.86531(17) 0.23106(13) 0.10508(14) 0.0191(3) Uani 1 1 d . . . . .
H18 H 0.909169 0.203915 0.175733 0.023 Uiso 1 1 calc R . . . .
C21 C 1.04036(17) 0.33342(15) 0.50017(14) 0.0238(3) Uani 1 1 d . . . . .
H21 H 1.113087 0.386028 0.535991 0.029 Uiso 1 1 calc R . . . .
C36 C 0.57787(17) 0.18054(13) 0.53398(13) 0.0187(3) Uani 1 1 d . . . . .
H36 H 0.659415 0.210232 0.523361 0.022 Uiso 1 1 calc R . . . .
C7 C 0.65982(16) 0.49721(12) 0.20662(13) 0.0170(3) Uani 1 1 d . . . . .
C14 C 0.68508(18) 0.33161(15) -0.01897(14) 0.0235(3) Uani 1 1 d . . . . .
H14 H 0.604668 0.372451 -0.033281 0.028 Uiso 1 1 calc R . . . .
C10 C 0.67376(19) 0.72552(14) 0.20355(15) 0.0271(4) Uani 1 1 d . . . . .
H10 H 0.678439 0.803353 0.202708 0.033 Uiso 1 1 calc R . . . .
C33 C 0.33878(18) 0.09387(13) 0.56471(14) 0.0205(3) Uani 1 1 d . . . . .
H33 H 0.257559 0.064177 0.575843 0.025 Uiso 1 1 calc R . . . .
C17 C 0.91705(18) 0.20940(14) 0.02096(15) 0.0231(3) Uani 1 1 d . . . . .
H17 H 0.995555 0.166476 0.034132 0.028 Uiso 1 1 calc R . . . .
C12 C 0.73575(18) 0.55132(14) 0.14952(16) 0.0247(4) Uani 1 1 d . . . . .
H12 H 0.783186 0.510399 0.111555 0.030 Uiso 1 1 calc R . . . .
C35 C 0.58777(18) 0.11181(14) 0.62019(14) 0.0218(3) Uani 1 1 d . . . . .
H35 H 0.675870 0.094544 0.668801 0.026 Uiso 1 1 calc R . . . .
C16 C 0.85511(19) 0.24986(15) -0.08178(15) 0.0259(4) Uani 1 1 d . . . . .
H16 H 0.892111 0.236012 -0.138511 0.031 Uiso 1 1 calc R . . . .
C29 C 0.11260(18) 0.47603(15) 0.20866(14) 0.0237(3) Uani 1 1 d . . . . .
H29 H 0.042817 0.482336 0.139613 0.028 Uiso 1 1 calc R . . . .
C34 C 0.46788(19) 0.06852(13) 0.63476(14) 0.0219(3) Uani 1 1 d . . . . .
H34 H 0.474390 0.021057 0.693304 0.026 Uiso 1 1 calc R . . . .
C23 C 0.93265(18) 0.15344(14) 0.49120(14) 0.0230(3) Uani 1 1 d . . . . .
H23 H 0.931177 0.083217 0.521288 0.028 Uiso 1 1 calc R . . . .
C8 C 0.59063(18) 0.55764(13) 0.26199(14) 0.0211(3) Uani 1 1 d . . . . .
H8 H 0.538386 0.521297 0.300699 0.025 Uiso 1 1 calc R . . . .
C15 C 0.73879(19) 0.31075(17) -0.10178(15) 0.0280(4) Uani 1 1 d . . . . .
H15 H 0.695855 0.338208 -0.172433 0.034 Uiso 1 1 calc R . . . .
C22 C 1.03619(17) 0.23165(15) 0.54433(13) 0.0215(3) Uani 1 1 d . . . . .
H22 H 1.104625 0.215301 0.611379 0.026 Uiso 1 1 calc R . . . .
C11 C 0.74184(19) 0.66563(15) 0.14834(16) 0.0291(4) Uani 1 1 d . . . . .
H11 H 0.793246 0.702376 0.109216 0.035 Uiso 1 1 calc R . . . .
B1 B 1.0285(2) 0.04016(17) 0.76954(17) 0.0236(4) 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 O1 2.4316(11) . ?
Sb1 C19 2.0912(15) . ?
Sb1 C1 2.1325(15) . ?
Sb1 C13 2.1245(16) . ?
Sb1 C7 2.1192(15) . ?
P1 O1 1.5114(11) . ?
P1 C2 1.7957(16) . ?
P1 C31 1.7907(16) . ?
P1 C25 1.7973(16) . ?
F2 B1 1.383(2) . ?
F1 B1 1.384(2) . ?
F4 B1 1.391(2) . ?
F3 B1 1.389(2) . ?
C19 C24 1.390(2) . ?
C19 C20 1.390(2) . ?
C2 C1 1.404(2) . ?
C2 C3 1.395(2) . ?
C1 C6 1.396(2) . ?
C27 H27 0.9500 . ?
C27 C26 1.388(2) . ?
C27 C28 1.388(2) . ?
C13 C18 1.394(2) . ?
C13 C14 1.398(2) . ?
C26 H26 0.9500 . ?
C26 C25 1.396(2) . ?
C31 C32 1.397(2) . ?
C31 C36 1.398(2) . ?
C25 C30 1.395(2) . ?
C5 H5 0.9500 . ?
C5 C4 1.387(2) . ?
C5 C6 1.393(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(3) . ?
C9 C8 1.394(2) . ?
C24 H24 0.9500 . ?
C24 C23 1.386(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(2) . ?
C30 H30 0.9500 . ?
C30 C29 1.390(2) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.391(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.382(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.390(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(2) . ?
C36 H36 0.9500 . ?
C36 C35 1.390(2) . ?
C7 C12 1.396(2) . ?
C7 C8 1.390(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.386(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.378(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(2) . ?
C17 H17 0.9500 . ?
C17 C16 1.383(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.395(2) . ?
C35 H35 0.9500 . ?
C35 C34 1.389(2) . ?
C16 H16 0.9500 . ?
C16 C15 1.388(3) . ?
C29 H29 0.9500 . ?
C34 H34 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.385(2) . ?
C8 H8 0.9500 . ?
C15 H15 0.9500 . ?
C22 H22 0.9500 . ?
C11 H11 0.9500 . ?

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
C19 Sb1 O1 77.35(5) . . ?
C19 Sb1 C1 115.71(6) . . ?
C19 Sb1 C13 102.09(6) . . ?
C19 Sb1 C7 111.23(6) . . ?
C1 Sb1 O1 77.49(5) . . ?
C13 Sb1 O1 176.27(5) . . ?
C13 Sb1 C1 99.59(6) . . ?
C7 Sb1 O1 83.58(5) . . ?
C7 Sb1 C1 123.24(6) . . ?
C7 Sb1 C13 100.01(6) . . ?
O1 P1 C2 106.04(7) . . ?
O1 P1 C31 111.69(7) . . ?
O1 P1 C25 111.33(7) . . ?
C2 P1 C25 108.36(7) . . ?
C31 P1 C2 109.97(7) . . ?
C31 P1 C25 109.36(7) . . ?
P1 O1 Sb1 116.15(6) . . ?
C24 C19 Sb1 120.09(11) . . ?
C24 C19 C20 120.90(14) . . ?
C20 C19 Sb1 118.87(11) . . ?
C1 C2 P1 117.18(11) . . ?
C3 C2 P1 122.57(12) . . ?
C3 C2 C1 120.25(14) . . ?
C2 C1 Sb1 122.67(11) . . ?
C6 C1 Sb1 118.00(11) . . ?
C6 C1 C2 119.31(14) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C28 C27 C26 119.81(16) . . ?
C18 C13 Sb1 119.38(12) . . ?
C18 C13 C14 119.42(15) . . ?
C14 C13 Sb1 121.19(12) . . ?
C27 C26 H26 119.8 . . ?
C27 C26 C25 120.31(15) . . ?
C25 C26 H26 119.8 . . ?
C32 C31 P1 121.33(12) . . ?
C32 C31 C36 120.11(14) . . ?
C36 C31 P1 118.44(12) . . ?
C26 C25 P1 117.62(12) . . ?
C30 C25 P1 122.26(12) . . ?
C30 C25 C26 119.51(15) . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.52(15) . . ?
C6 C5 H5 119.7 . . ?
C10 C9 H9 119.7 . . ?
C10 C9 C8 120.53(17) . . ?
C8 C9 H9 119.7 . . ?
C19 C24 H24 120.4 . . ?
C23 C24 C19 119.27(15) . . ?
C23 C24 H24 120.4 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.41(15) . . ?
C33 C32 H32 120.3 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.91(15) . . ?
C4 C3 H3 120.0 . . ?
C25 C30 H30 120.1 . . ?
C29 C30 C25 119.72(16) . . ?
C29 C30 H30 120.1 . . ?
C5 C4 C3 119.95(15) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.06(15) . . ?
C5 C6 H6 120.0 . . ?
C19 C20 H20 120.5 . . ?
C19 C20 C21 119.01(15) . . ?
C21 C20 H20 120.5 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.14(15) . . ?
C29 C28 H28 119.9 . . ?
C13 C18 H18 120.1 . . ?
C17 C18 C13 119.87(15) . . ?
C17 C18 H18 120.1 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.32(16) . . ?
C22 C21 H21 119.8 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 120.06(15) . . ?
C35 C36 H36 120.0 . . ?
C12 C7 Sb1 117.00(12) . . ?
C8 C7 Sb1 123.04(12) . . ?
C8 C7 C12 119.75(15) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.15(16) . . ?
C15 C14 H14 119.9 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.80(16) . . ?
C11 C10 H10 120.1 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.21(16) . . ?
C34 C33 H33 119.9 . . ?
C18 C17 H17 119.8 . . ?
C16 C17 C18 120.50(16) . . ?
C16 C17 H17 119.8 . . ?
C7 C12 H12 120.1 . . ?
C11 C12 C7 119.86(17) . . ?
C11 C12 H12 120.1 . . ?
C36 C35 H35 120.2 . . ?
C36 C35 C34 119.51(16) . . ?
C34 C35 H35 120.2 . . ?
C17 C16 H16 120.1 . . ?
C17 C16 C15 119.84(16) . . ?
C15 C16 H16 120.1 . . ?
C30 C29 H29 119.8 . . ?
C28 C29 C30 120.48(16) . . ?
C28 C29 H29 119.8 . . ?
C33 C34 C35 120.69(15) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.23(16) . . ?
C22 C23 H23 119.9 . . ?
C9 C8 H8 120.2 . . ?
C7 C8 C9 119.66(17) . . ?
C7 C8 H8 120.2 . . ?
C14 C15 C16 120.19(17) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C21 C22 C23 120.24(15) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C10 C11 C12 120.40(17) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
F2 B1 F1 109.65(15) . . ?
F2 B1 F4 110.55(16) . . ?
F2 B1 F3 108.67(15) . . ?
F1 B1 F4 108.92(15) . . ?
F1 B1 F3 110.07(17) . . ?
F3 B1 F4 108.98(16) . . ?

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 C19 C24 C23 -173.60(13) . . . . ?
Sb1 C19 C20 C21 174.28(13) . . . . ?
Sb1 C1 C6 C5 178.90(12) . . . . ?
Sb1 C13 C18 C17 179.78(12) . . . . ?
Sb1 C13 C14 C15 179.33(14) . . . . ?
Sb1 C7 C12 C11 -174.91(14) . . . . ?
Sb1 C7 C8 C9 174.28(12) . . . . ?
P1 C2 C1 Sb1 2.34(17) . . . . ?
P1 C2 C1 C6 -179.48(12) . . . . ?
P1 C2 C3 C4 178.95(12) . . . . ?
P1 C31 C32 C33 176.02(12) . . . . ?
P1 C31 C36 C35 -176.16(12) . . . . ?
P1 C25 C30 C29 -170.41(13) . . . . ?
O1 P1 C2 C1 -6.47(13) . . . . ?
O1 P1 C2 C3 173.60(12) . . . . ?
O1 P1 C31 C32 165.86(12) . . . . ?
O1 P1 C31 C36 -17.98(15) . . . . ?
O1 P1 C25 C26 -64.17(14) . . . . ?
O1 P1 C25 C30 106.84(14) . . . . ?
C19 C24 C23 C22 -0.8(3) . . . . ?
C19 C20 C21 C22 -0.5(3) . . . . ?
C2 P1 O1 Sb1 7.26(8) . . . . ?
C2 P1 C31 C32 -76.70(14) . . . . ?
C2 P1 C31 C36 99.47(13) . . . . ?
C2 P1 C25 C26 179.59(12) . . . . ?
C2 P1 C25 C30 -9.40(16) . . . . ?
C2 C1 C6 C5 0.6(2) . . . . ?
C2 C3 C4 C5 0.4(2) . . . . ?
C1 C2 C3 C4 -1.0(2) . . . . ?
C27 C26 C25 P1 169.89(13) . . . . ?
C27 C26 C25 C30 -1.4(2) . . . . ?
C27 C28 C29 C30 -1.6(3) . . . . ?
C13 C18 C17 C16 0.9(3) . . . . ?
C13 C14 C15 C16 0.9(3) . . . . ?
C26 C27 C28 C29 0.7(3) . . . . ?
C26 C25 C30 C29 0.4(2) . . . . ?
C31 P1 O1 Sb1 127.04(7) . . . . ?
C31 P1 C2 C1 -127.37(12) . . . . ?
C31 P1 C2 C3 52.70(15) . . . . ?
C31 P1 C25 C26 59.73(14) . . . . ?
C31 P1 C25 C30 -129.26(14) . . . . ?
C31 C32 C33 C34 -0.2(2) . . . . ?
C31 C36 C35 C34 0.2(2) . . . . ?
C25 P1 O1 Sb1 -110.39(7) . . . . ?
C25 P1 C2 C1 113.14(12) . . . . ?
C25 P1 C2 C3 -66.78(14) . . . . ?
C25 P1 C31 C32 42.17(15) . . . . ?
C25 P1 C31 C36 -141.67(12) . . . . ?
C25 C30 C29 C28 1.1(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C24 C19 C20 C21 -1.3(2) . . . . ?
C24 C23 C22 C21 -1.1(3) . . . . ?
C32 C31 C36 C35 0.1(2) . . . . ?
C32 C33 C34 C35 0.5(3) . . . . ?
C3 C2 C1 Sb1 -177.73(11) . . . . ?
C3 C2 C1 C6 0.4(2) . . . . ?
C4 C5 C6 C1 -1.2(2) . . . . ?
C6 C5 C4 C3 0.7(2) . . . . ?
C20 C19 C24 C23 1.9(2) . . . . ?
C20 C21 C22 C23 1.7(3) . . . . ?
C28 C27 C26 C25 0.8(2) . . . . ?
C18 C13 C14 C15 -1.2(3) . . . . ?
C18 C17 C16 C15 -1.3(3) . . . . ?
C36 C31 C32 C33 -0.1(2) . . . . ?
C36 C35 C34 C33 -0.5(3) . . . . ?
C7 C12 C11 C10 0.2(3) . . . . ?
C14 C13 C18 C17 0.3(2) . . . . ?
C10 C9 C8 C7 0.4(3) . . . . ?
C17 C16 C15 C14 0.4(3) . . . . ?
C12 C7 C8 C9 -0.3(2) . . . . ?
C8 C9 C10 C11 -0.1(3) . . . . ?
C8 C7 C12 C11 0.0(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_test_j_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2106461'
loop_
_audit_author_name
_audit_author_address
'Gyeongjin Park'
;Texas A and M Univeristy
United States of America
;
_audit_update_record             
;
2021-08-30 deposited with the CCDC.	2021-11-12 downloaded from the CCDC.
;
_audit_creation_date             2021-04-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H29 F O P Sb'
_chemical_formula_sum            'C36 H29 F O P Sb'
_chemical_formula_weight         649.31
_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 0.0181 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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   18.1724(19)
_cell_length_b                   11.1064(11)
_cell_length_c                   28.431(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5738.1(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    110
_cell_measurement_theta_max      72.427
_cell_measurement_theta_min      3.109
_shelx_estimated_absorpt_T_max   0.590
_shelx_estimated_absorpt_T_min   0.237
_exptl_absorpt_coefficient_mu    8.426
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1075 before and 0.0630 after correction. The Ratio of minimum to maximum transmission is 0.6882. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            33523
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.420
_diffrn_reflns_theta_min         3.109
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4254
_reflns_number_total             5648
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.206
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5648
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0533
_refine_ls_restrained_S_all      1.082
_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)+(0.0334P)²+40.2473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1322
_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:
 C5(H5), C3(H3), C26(H26), C18(H18), C30(H30), C4(H4), C12(H12), C17(H17),
 C36(H36), C6(H6), C32(H32), C24(H24), C27(H27), C23(H23), C14(H14), C20(H20),
 C10(H10), C35(H35), C22(H22), C34(H34), C29(H29), C11(H11), C33(H33), C8(H8),
 C21(H21), C16(H16), C28(H28), C9(H9), C15(H15)
;
_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 0.47777(2) 0.43520(3) 0.62623(2) 0.01993(12) Uani 1 1 d . . . . .
P1 P 0.56534(8) 0.29161(12) 0.71182(4) 0.0217(3) Uani 1 1 d . . . . .
F1 F 0.4501(2) 0.5482(3) 0.67939(10) 0.0313(7) Uani 1 1 d . . . . .
O1 O 0.5770(2) 0.3911(4) 0.67586(13) 0.0268(8) Uani 1 1 d . . . . .
C25 C 0.5790(3) 0.3373(5) 0.77198(18) 0.0248(11) Uani 1 1 d . . . . .
C19 C 0.5243(3) 0.3012(5) 0.57833(17) 0.0239(11) Uani 1 1 d . . . . .
C1 C 0.4293(3) 0.3013(4) 0.67255(17) 0.0223(10) Uani 1 1 d . . . . .
C5 C 0.3240(3) 0.1854(5) 0.69793(19) 0.0275(12) Uani 1 1 d . . . . .
H5 H 0.273820 0.163766 0.693926 0.033 Uiso 1 1 calc R . . . .
C7 C 0.3790(3) 0.4817(5) 0.58838(19) 0.0260(11) Uani 1 1 d . . . . .
C3 C 0.4387(3) 0.1617(5) 0.73827(18) 0.0241(11) Uani 1 1 d . . . . .
H3 H 0.467465 0.125076 0.762229 0.029 Uiso 1 1 calc R . . . .
C2 C 0.4709(3) 0.2457(5) 0.70717(18) 0.0227(11) Uani 1 1 d . . . . .
C26 C 0.6499(3) 0.3400(5) 0.7909(2) 0.0296(12) Uani 1 1 d . . . . .
H26 H 0.690669 0.314194 0.772656 0.035 Uiso 1 1 calc R . . . .
C13 C 0.5444(3) 0.5847(5) 0.60466(19) 0.0261(11) Uani 1 1 d . . . . .
C18 C 0.5263(4) 0.6434(5) 0.5631(2) 0.0327(13) Uani 1 1 d . . . . .
H18 H 0.487893 0.612827 0.543847 0.039 Uiso 1 1 calc R . . . .
C31 C 0.6269(3) 0.1682(5) 0.69959(19) 0.0246(11) Uani 1 1 d . . . . .
C30 C 0.5204(3) 0.3753(5) 0.7989(2) 0.0311(12) Uani 1 1 d . . . . .
H30 H 0.472298 0.374499 0.785756 0.037 Uiso 1 1 calc R . . . .
C4 C 0.3650(4) 0.1333(5) 0.7335(2) 0.0304(12) Uani 1 1 d . . . . .
H4 H 0.342529 0.078100 0.754662 0.036 Uiso 1 1 calc R . . . .
C12 C 0.3562(4) 0.4179(6) 0.5489(2) 0.0345(14) Uani 1 1 d . . . . .
H12 H 0.384566 0.351589 0.538127 0.041 Uiso 1 1 calc R . . . .
C17 C 0.5641(4) 0.7464(6) 0.5495(2) 0.0366(14) Uani 1 1 d . . . . .
H17 H 0.550346 0.786751 0.521333 0.044 Uiso 1 1 calc R . . . .
C36 C 0.6604(3) 0.1621(6) 0.6554(2) 0.0330(13) Uani 1 1 d . . . . .
H36 H 0.649992 0.221608 0.632384 0.040 Uiso 1 1 calc R . . . .
C6 C 0.3563(3) 0.2698(5) 0.66780(19) 0.0274(12) Uani 1 1 d . . . . .
H6 H 0.327571 0.305894 0.643729 0.033 Uiso 1 1 calc R . . . .
C32 C 0.6401(3) 0.0778(5) 0.7327(2) 0.0299(12) Uani 1 1 d . . . . .
H32 H 0.616691 0.080286 0.762577 0.036 Uiso 1 1 calc R . . . .
C24 C 0.4986(4) 0.1833(5) 0.57962(19) 0.0306(13) Uani 1 1 d . . . . .
H24 H 0.458810 0.162455 0.599685 0.037 Uiso 1 1 calc R . . . .
C27 C 0.6604(4) 0.3807(6) 0.8366(2) 0.0347(14) Uani 1 1 d . . . . .
H27 H 0.708624 0.384343 0.849427 0.042 Uiso 1 1 calc R . . . .
C23 C 0.5315(4) 0.0958(6) 0.5513(2) 0.0356(14) Uani 1 1 d . . . . .
H23 H 0.513411 0.015500 0.551926 0.043 Uiso 1 1 calc R . . . .
C14 C 0.6001(4) 0.6304(6) 0.6319(2) 0.0370(14) Uani 1 1 d . . . . .
H14 H 0.612874 0.591559 0.660535 0.044 Uiso 1 1 calc R . . . .
C20 C 0.5818(4) 0.3286(6) 0.54905(19) 0.0324(13) Uani 1 1 d . . . . .
H20 H 0.599038 0.409253 0.547804 0.039 Uiso 1 1 calc R . . . .
C10 C 0.2515(4) 0.5473(6) 0.5398(2) 0.0394(15) Uani 1 1 d . . . . .
H10 H 0.208566 0.570644 0.523022 0.047 Uiso 1 1 calc R . . . .
C35 C 0.7091(4) 0.0688(6) 0.6452(2) 0.0377(15) Uani 1 1 d . . . . .
H35 H 0.733020 0.065476 0.615495 0.045 Uiso 1 1 calc R . . . .
C22 C 0.5901(4) 0.1248(6) 0.5225(2) 0.0363(14) Uani 1 1 d . . . . .
H22 H 0.612692 0.064502 0.503696 0.044 Uiso 1 1 calc R . . . .
C34 C 0.7225(4) -0.0194(6) 0.6789(3) 0.0411(15) Uani 1 1 d . . . . .
H34 H 0.755914 -0.082827 0.672183 0.049 Uiso 1 1 calc R . . . .
C29 C 0.5302(4) 0.4146(6) 0.8446(2) 0.0338(14) Uani 1 1 d . . . . .
H29 H 0.489330 0.440486 0.862824 0.041 Uiso 1 1 calc R . . . .
C11 C 0.2928(4) 0.4497(6) 0.5250(2) 0.0395(15) Uani 1 1 d . . . . .
H11 H 0.277577 0.404488 0.498328 0.047 Uiso 1 1 calc R . . . .
C33 C 0.6878(4) -0.0156(5) 0.7217(2) 0.0371(14) Uani 1 1 d . . . . .
H33 H 0.696521 -0.077639 0.744009 0.045 Uiso 1 1 calc R . . . .
C8 C 0.3368(4) 0.5781(6) 0.6033(2) 0.0319(13) Uani 1 1 d . . . . .
H8 H 0.351431 0.622624 0.630227 0.038 Uiso 1 1 calc R . . . .
C21 C 0.6158(4) 0.2420(6) 0.5211(2) 0.0377(14) Uani 1 1 d . . . . .
H21 H 0.655957 0.263120 0.501309 0.045 Uiso 1 1 calc R . . . .
C16 C 0.6207(4) 0.7906(6) 0.5760(2) 0.0404(15) Uani 1 1 d . . . . .
H16 H 0.647775 0.859127 0.565900 0.048 Uiso 1 1 calc R . . . .
C28 C 0.6010(4) 0.4157(6) 0.8634(2) 0.0382(15) Uani 1 1 d . . . . .
H28 H 0.608357 0.440732 0.895046 0.046 Uiso 1 1 calc R . . . .
C9 C 0.2735(4) 0.6105(7) 0.5794(2) 0.0402(15) Uani 1 1 d . . . . .
H9 H 0.244938 0.676510 0.590254 0.048 Uiso 1 1 calc R . . . .
C15 C 0.6379(4) 0.7331(6) 0.6179(3) 0.0453(17) Uani 1 1 d . . . . .
H15 H 0.675941 0.764284 0.637222 0.054 Uiso 1 1 calc R . . . .


_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 F1 2.028(3) . ?
Sb1 O1 2.342(4) . ?
Sb1 C19 2.188(5) . ?
Sb1 C1 2.173(5) . ?
Sb1 C7 2.156(5) . ?
Sb1 C13 2.144(6) . ?
P1 O1 1.520(4) . ?
P1 C25 1.801(5) . ?
P1 C2 1.795(6) . ?
P1 C31 1.803(6) . ?
C25 C26 1.397(8) . ?
C25 C30 1.377(8) . ?
C19 C24 1.390(8) . ?
C19 C20 1.370(8) . ?
C1 C2 1.386(7) . ?
C1 C6 1.379(8) . ?
C5 H5 0.9500 . ?
C5 C4 1.383(8) . ?
C5 C6 1.399(8) . ?
C7 C12 1.391(8) . ?
C7 C8 1.384(8) . ?
C3 H3 0.9500 . ?
C3 C2 1.412(7) . ?
C3 C4 1.384(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.389(8) . ?
C13 C18 1.388(8) . ?
C13 C14 1.372(9) . ?
C18 H18 0.9500 . ?
C18 C17 1.390(9) . ?
C31 C36 1.397(8) . ?
C31 C32 1.398(8) . ?
C30 H30 0.9500 . ?
C30 C29 1.382(8) . ?
C4 H4 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.383(9) . ?
C17 H17 0.9500 . ?
C17 C16 1.366(10) . ?
C36 H36 0.9500 . ?
C36 C35 1.394(9) . ?
C6 H6 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.388(9) . ?
C24 H24 0.9500 . ?
C24 C23 1.396(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(10) . ?
C23 H23 0.9500 . ?
C23 C22 1.383(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.384(10) . ?
C10 C9 1.387(10) . ?
C35 H35 0.9500 . ?
C35 C34 1.392(10) . ?
C22 H22 0.9500 . ?
C22 C21 1.383(10) . ?
C34 H34 0.9500 . ?
C34 C33 1.370(10) . ?
C29 H29 0.9500 . ?
C29 C28 1.395(10) . ?
C11 H11 0.9500 . ?
C33 H33 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.382(9) . ?
C21 H21 0.9500 . ?
C16 H16 0.9500 . ?
C16 C15 1.387(9) . ?
C28 H28 0.9500 . ?
C9 H9 0.9500 . ?
C15 H15 0.9500 . ?

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
F1 Sb1 O1 82.64(14) . . ?
F1 Sb1 C19 168.81(17) . . ?
F1 Sb1 C1 82.62(16) . . ?
F1 Sb1 C7 90.98(18) . . ?
F1 Sb1 C13 82.75(18) . . ?
C19 Sb1 O1 86.25(17) . . ?
C1 Sb1 O1 78.67(17) . . ?
C1 Sb1 C19 93.9(2) . . ?
C7 Sb1 O1 172.87(18) . . ?
C7 Sb1 C19 100.0(2) . . ?
C7 Sb1 C1 97.4(2) . . ?
C13 Sb1 O1 84.25(18) . . ?
C13 Sb1 C19 97.5(2) . . ?
C13 Sb1 C1 158.8(2) . . ?
C13 Sb1 C7 98.2(2) . . ?
O1 P1 C25 114.5(2) . . ?
O1 P1 C2 106.9(2) . . ?
O1 P1 C31 109.6(2) . . ?
C25 P1 C31 108.2(3) . . ?
C2 P1 C25 106.4(3) . . ?
C2 P1 C31 111.3(2) . . ?
P1 O1 Sb1 116.7(2) . . ?
C26 C25 P1 120.0(4) . . ?
C30 C25 P1 120.5(4) . . ?
C30 C25 C26 119.5(5) . . ?
C24 C19 Sb1 119.6(4) . . ?
C20 C19 Sb1 121.5(4) . . ?
C20 C19 C24 118.8(5) . . ?
C2 C1 Sb1 121.0(4) . . ?
C6 C1 Sb1 120.3(4) . . ?
C6 C1 C2 118.8(5) . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(5) . . ?
C6 C5 H5 119.9 . . ?
C12 C7 Sb1 122.0(4) . . ?
C8 C7 Sb1 119.6(4) . . ?
C8 C7 C12 118.4(5) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C4 C3 C2 119.4(5) . . ?
C1 C2 P1 116.6(4) . . ?
C1 C2 C3 120.9(5) . . ?
C3 C2 P1 122.5(4) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.7(6) . . ?
C27 C26 H26 120.2 . . ?
C18 C13 Sb1 118.3(4) . . ?
C14 C13 Sb1 122.8(4) . . ?
C14 C13 C18 118.8(6) . . ?
C13 C18 H18 119.8 . . ?
C13 C18 C17 120.5(6) . . ?
C17 C18 H18 119.8 . . ?
C36 C31 P1 118.7(4) . . ?
C36 C31 C32 119.7(5) . . ?
C32 C31 P1 121.5(4) . . ?
C25 C30 H30 119.4 . . ?
C25 C30 C29 121.3(6) . . ?
C29 C30 H30 119.4 . . ?
C5 C4 C3 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 121.0(6) . . ?
C11 C12 H12 119.5 . . ?
C18 C17 H17 119.5 . . ?
C16 C17 C18 120.9(6) . . ?
C16 C17 H17 119.5 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 120.1(6) . . ?
C35 C36 H36 120.0 . . ?
C1 C6 C5 120.9(5) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.5(6) . . ?
C33 C32 H32 120.3 . . ?
C19 C24 H24 120.1 . . ?
C19 C24 C23 119.8(6) . . ?
C23 C24 H24 120.1 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.1(6) . . ?
C28 C27 H27 119.9 . . ?
C24 C23 H23 119.7 . . ?
C22 C23 C24 120.6(6) . . ?
C22 C23 H23 119.7 . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.4(6) . . ?
C15 C14 H14 119.8 . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.2(6) . . ?
C21 C20 H20 118.9 . . ?
C11 C10 H10 120.4 . . ?
C11 C10 C9 119.1(6) . . ?
C9 C10 H10 120.4 . . ?
C36 C35 H35 120.3 . . ?
C34 C35 C36 119.3(6) . . ?
C34 C35 H35 120.3 . . ?
C23 C22 H22 120.1 . . ?
C23 C22 C21 119.8(5) . . ?
C21 C22 H22 120.1 . . ?
C35 C34 H34 119.7 . . ?
C33 C34 C35 120.7(6) . . ?
C33 C34 H34 119.7 . . ?
C30 C29 H29 120.6 . . ?
C30 C29 C28 118.9(6) . . ?
C28 C29 H29 120.6 . . ?
C12 C11 C10 120.1(6) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.7(6) . . ?
C34 C33 H33 119.6 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(6) . . ?
C9 C8 H8 119.6 . . ?
C20 C21 H21 120.6 . . ?
C22 C21 C20 118.9(6) . . ?
C22 C21 H21 120.6 . . ?
C17 C16 H16 120.8 . . ?
C17 C16 C15 118.5(6) . . ?
C15 C16 H16 120.8 . . ?
C27 C28 C29 120.5(6) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C10 C9 H9 119.8 . . ?
C8 C9 C10 120.5(6) . . ?
C8 C9 H9 119.8 . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 120.9(6) . . ?
C16 C15 H15 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
