#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/24/7022464.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7022464
loop_
_publ_author_name
'Hounjet, Lindsay J.'
'Caputo, Christopher B.'
'Stephan, Douglas W.'
_publ_section_title
;
 The Lewis acidity of fluorophosphonium salts: access to mixed valent
 phosphorus(III)/(V) species.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2629
_journal_page_last               2635
_journal_paper_doi               10.1039/c2dt32711b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C111 H57 B2 F44 P4'
_chemical_formula_weight         2372.07
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.615(3)
_cell_angle_beta                 89.546(4)
_cell_angle_gamma                71.427(3)
_cell_formula_units_Z            1
_cell_length_a                   10.7377(6)
_cell_length_b                   13.3608(8)
_cell_length_c                   18.5330(11)
_cell_measurement_reflns_used    9251
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      3.00
_cell_volume                     2512.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0387
_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       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47216
_diffrn_reflns_theta_full        28.49
_diffrn_reflns_theta_max         28.49
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.208
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1189
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.305
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         12691
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0874P)²+1.7605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1692
_reflns_number_gt                9213
_reflns_number_total             12691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32711b.txt
_cod_data_source_block           ljh21_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022464
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
P1 P 0.46041(5) -0.09575(4) 0.26493(3) 0.01946(13) Uani 1 1 d .
P2 P 0.19024(6) 0.39775(5) 0.32259(3) 0.02502(14) Uani 1 1 d .
F1 F 0.32129(14) 0.41879(11) 0.28565(8) 0.0323(3) Uani 1 1 d .
F2 F 0.06671(14) 0.36620(12) 0.36140(8) 0.0339(3) Uani 1 1 d .
F3 F 0.27828(16) 0.30258(11) 0.17930(8) 0.0366(4) Uani 1 1 d .
F4 F 0.38787(16) 0.10387(11) 0.15266(7) 0.0367(4) Uani 1 1 d .
F5 F 0.36007(16) -0.00108(11) 0.40019(7) 0.0341(3) Uani 1 1 d .
F6 F 0.25744(17) 0.20000(12) 0.42732(8) 0.0387(4) Uani 1 1 d .
F7 F 0.67095(13) 0.08789(11) 0.23334(7) 0.0279(3) Uani 1 1 d .
F8 F 0.93414(18) 0.26595(14) 0.18318(12) 0.0578(5) Uani 1 1 d .
F9 F 1.12471(19) 0.20372(17) 0.08674(14) 0.0704(7) Uani 1 1 d .
F10 F 1.18228(18) 0.00876(17) 0.03532(10) 0.0602(6) Uani 1 1 d .
F11 F 1.04754(18) -0.12194(14) 0.08321(11) 0.0538(5) Uani 1 1 d .
F12 F 0.85956(15) -0.06342(12) 0.17883(9) 0.0389(4) Uani 1 1 d .
F13 F 0.7121(2) 0.36526(13) 0.30355(9) 0.0497(5) Uani 1 1 d .
F14 F 0.5518(2) 0.55078(14) 0.25052(11) 0.0605(5) Uani 1 1 d .
F15 F 0.4179(2) 0.56866(15) 0.12361(12) 0.0639(6) Uani 1 1 d .
F16 F 0.4520(2) 0.39310(17) 0.05017(11) 0.0706(6) Uani 1 1 d .
F17 F 0.60931(18) 0.20515(13) 0.10315(9) 0.0486(4) Uani 1 1 d .
F18 F 1.02861(15) 0.10620(15) 0.30825(9) 0.0455(4) Uani 1 1 d .
F19 F 1.07433(19) 0.09524(17) 0.44869(11) 0.0625(6) Uani 1 1 d .
F20 F 0.8766(2) 0.13050(18) 0.54388(10) 0.0700(6) Uani 1 1 d .
F21 F 0.6228(2) 0.17866(16) 0.49404(9) 0.0555(5) Uani 1 1 d .
F22 F 0.57304(14) 0.18985(13) 0.35289(8) 0.0356(3) Uani 1 1 d .
B1 B 0.7547(3) 0.1518(2) 0.23687(14) 0.0240(5) Uani 1 1 d .
C1 C 0.4970(2) -0.12277(18) 0.17295(12) 0.0228(4) Uani 1 1 d .
C2 C 0.5950(2) -0.0891(2) 0.13969(14) 0.0308(5) Uani 1 1 d .
H2A H 0.6382 -0.0499 0.1648 0.037 Uiso 1 1 calc R
C3 C 0.6283(3) -0.1136(2) 0.06937(15) 0.0385(6) Uani 1 1 d .
H3A H 0.6947 -0.0907 0.0460 0.046 Uiso 1 1 calc R
C4 C 0.5658(3) -0.1713(2) 0.03286(15) 0.0419(7) Uani 1 1 d .
H4A H 0.5893 -0.1878 -0.0154 0.050 Uiso 1 1 calc R
C5 C 0.4700(3) -0.2045(3) 0.06632(15) 0.0465(7) Uani 1 1 d .
H5A H 0.4273 -0.2438 0.0410 0.056 Uiso 1 1 calc R
C6 C 0.4347(3) -0.1813(2) 0.13675(14) 0.0352(6) Uani 1 1 d .
H6A H 0.3688 -0.2051 0.1599 0.042 Uiso 1 1 calc R
C7 C 0.3473(2) -0.16196(17) 0.29694(12) 0.0212(4) Uani 1 1 d .
C8 C 0.2162(2) -0.1190(2) 0.27450(13) 0.0286(5) Uani 1 1 d .
H8A H 0.1871 -0.0529 0.2465 0.034 Uiso 1 1 calc R
C9 C 0.1287(3) -0.1730(2) 0.29323(14) 0.0337(6) Uani 1 1 d .
H9A H 0.0392 -0.1441 0.2782 0.040 Uiso 1 1 calc R
C10 C 0.1719(3) -0.2693(2) 0.33382(14) 0.0336(6) Uani 1 1 d .
H10A H 0.1119 -0.3067 0.3460 0.040 Uiso 1 1 calc R
C11 C 0.3012(3) -0.3114(2) 0.35674(15) 0.0336(6) Uani 1 1 d .
H11A H 0.3298 -0.3774 0.3849 0.040 Uiso 1 1 calc R
C12 C 0.3896(2) -0.25746(19) 0.33874(13) 0.0283(5) Uani 1 1 d .
H12A H 0.4785 -0.2858 0.3550 0.034 Uiso 1 1 calc R
C13 C 0.6109(2) -0.14133(18) 0.31662(12) 0.0224(4) Uani 1 1 d .
C14 C 0.6929(2) -0.2437(2) 0.30817(15) 0.0366(6) Uani 1 1 d .
H14A H 0.6714 -0.2847 0.2735 0.044 Uiso 1 1 calc R
C15 C 0.8059(3) -0.2859(2) 0.35046(17) 0.0441(7) Uani 1 1 d .
H15A H 0.8609 -0.3565 0.3456 0.053 Uiso 1 1 calc R
C16 C 0.8388(3) -0.2253(2) 0.39981(15) 0.0382(6) Uani 1 1 d .
H16A H 0.9157 -0.2546 0.4293 0.046 Uiso 1 1 calc R
C17 C 0.7601(3) -0.1227(2) 0.40606(15) 0.0373(6) Uani 1 1 d .
H17A H 0.7843 -0.0808 0.4391 0.045 Uiso 1 1 calc R
C18 C 0.6461(3) -0.0800(2) 0.36471(13) 0.0305(5) Uani 1 1 d .
H18A H 0.5922 -0.0090 0.3692 0.037 Uiso 1 1 calc R
C19 C 0.3811(2) 0.04341(17) 0.27596(12) 0.0205(4) Uani 1 1 d .
C20 C 0.3572(2) 0.12439(18) 0.22116(12) 0.0239(5) Uani 1 1 d .
C21 C 0.2990(2) 0.22924(18) 0.23521(12) 0.0241(5) Uani 1 1 d .
C22 C 0.2618(2) 0.25889(17) 0.30398(12) 0.0228(4) Uani 1 1 d .
C23 C 0.2855(2) 0.17809(19) 0.35876(12) 0.0255(5) Uani 1 1 d .
C24 C 0.3415(2) 0.07341(18) 0.34475(12) 0.0248(5) Uani 1 1 d .
C25 C 0.0804(3) 0.48963(19) 0.25685(14) 0.0316(5) Uani 1 1 d .
C26 C -0.0444(3) 0.4825(2) 0.24295(17) 0.0427(7) Uani 1 1 d .
H26A H -0.0719 0.4286 0.2680 0.051 Uiso 1 1 calc R
C27 C -0.1274(4) 0.5539(3) 0.1927(2) 0.0599(10) Uani 1 1 d .
H27A H -0.2109 0.5476 0.1822 0.072 Uiso 1 1 calc R
C28 C -0.0901(4) 0.6341(3) 0.1578(2) 0.0679(12) Uani 1 1 d .
H28A H -0.1491 0.6840 0.1245 0.081 Uiso 1 1 calc R
C29 C 0.0303(4) 0.6424(3) 0.17067(19) 0.0621(10) Uani 1 1 d .
H29A H 0.0547 0.6985 0.1465 0.075 Uiso 1 1 calc R
C30 C 0.1189(3) 0.5689(2) 0.21941(16) 0.0442(7) Uani 1 1 d .
H30A H 0.2045 0.5732 0.2268 0.053 Uiso 1 1 calc R
C31 C 0.2314(2) 0.43855(18) 0.40749(13) 0.0265(5) Uani 1 1 d .
C32 C 0.1348(3) 0.5074(2) 0.44677(14) 0.0303(5) Uani 1 1 d .
H32A H 0.0462 0.5319 0.4298 0.036 Uiso 1 1 calc R
C33 C 0.1691(3) 0.5401(2) 0.51149(16) 0.0423(7) Uani 1 1 d .
H33A H 0.1045 0.5899 0.5373 0.051 Uiso 1 1 calc R
C34 C 0.2956(4) 0.5008(3) 0.53773(16) 0.0481(8) Uani 1 1 d .
H34A H 0.3180 0.5222 0.5822 0.058 Uiso 1 1 calc R
C35 C 0.3906(3) 0.4303(3) 0.49982(17) 0.0448(7) Uani 1 1 d .
H35A H 0.4777 0.4019 0.5190 0.054 Uiso 1 1 calc R
C36 C 0.3601(3) 0.4008(2) 0.43407(15) 0.0351(6) Uani 1 1 d .
H36A H 0.4269 0.3547 0.4071 0.042 Uiso 1 1 calc R
C37 C 0.8800(2) 0.10814(19) 0.18307(12) 0.0252(5) Uani 1 1 d .
C38 C 0.9560(3) 0.1700(2) 0.15791(16) 0.0358(6) Uani 1 1 d .
C39 C 1.0560(3) 0.1392(2) 0.10874(17) 0.0424(7) Uani 1 1 d .
C40 C 1.0861(3) 0.0410(2) 0.08308(15) 0.0395(6) Uani 1 1 d .
C41 C 1.0171(3) -0.0249(2) 0.10729(14) 0.0344(6) Uani 1 1 d .
C42 C 0.9175(2) 0.00918(19) 0.15662(13) 0.0259(5) Uani 1 1 d .
C43 C 0.6661(2) 0.27352(18) 0.20716(12) 0.0252(5) Uani 1 1 d .
C44 C 0.6479(3) 0.3664(2) 0.24103(13) 0.0316(5) Uani 1 1 d .
C45 C 0.5666(3) 0.4645(2) 0.21418(16) 0.0384(6) Uani 1 1 d .
C46 C 0.4999(3) 0.4737(2) 0.14999(17) 0.0416(7) Uani 1 1 d .
C47 C 0.5151(3) 0.3852(2) 0.11359(16) 0.0418(7) Uani 1 1 d .
C48 C 0.5971(3) 0.2887(2) 0.14237(14) 0.0333(6) Uani 1 1 d .
C49 C 0.7975(2) 0.14619(19) 0.32234(13) 0.0261(5) Uani 1 1 d .
C50 C 0.9224(2) 0.1237(2) 0.35130(14) 0.0326(5) Uani 1 1 d .
C51 C 0.9497(3) 0.1181(2) 0.42444(16) 0.0420(7) Uani 1 1 d .
C52 C 0.8500(3) 0.1359(2) 0.47260(15) 0.0454(7) Uani 1 1 d .
C53 C 0.7231(3) 0.1594(2) 0.44748(14) 0.0377(6) Uani 1 1 d .
C54 C 0.7006(2) 0.16373(19) 0.37408(13) 0.0290(5) Uani 1 1 d .
C101 C 0.0157(5) 0.5364(5) -0.0087(3) 0.052(2) Uani 0.50 1 d PD
H10D H -0.0348 0.5971 0.0184 0.062 Uiso 0.50 1 calc PR
H10E H -0.0035 0.5562 -0.0610 0.062 Uiso 0.50 1 calc PR
C102 C 0.1561(6) 0.5129(6) 0.0056(4) 0.058(2) Uani 0.50 1 d PD
H10B H 0.1765 0.4950 0.0579 0.070 Uiso 0.50 1 calc PR
H10C H 0.2080 0.4527 -0.0214 0.070 Uiso 0.50 1 calc PR
C103 C 0.1843(9) 0.6067(8) -0.0184(4) 0.102(4) Uani 0.50 1 d PD
H10F H 0.2775 0.5967 -0.0093 0.153 Uiso 0.50 1 calc PR
H10G H 0.1303 0.6658 0.0080 0.153 Uiso 0.50 1 calc PR
H10H H 0.1646 0.6226 -0.0703 0.153 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
C1 P1 C7 108.70(10) .
C1 P1 C13 108.33(11) .
C7 P1 C13 111.41(10) .
C1 P1 C19 112.97(10) .
C7 P1 C19 106.22(10) .
C13 P1 C19 109.25(10) .
F1 P2 F2 175.17(8) .
F1 P2 C25 92.56(11) .
F2 P2 C25 91.48(11) .
F1 P2 C31 89.95(10) .
F2 P2 C31 90.18(10) .
C25 P2 C31 121.92(11) .
F1 P2 C22 87.81(9) .
F2 P2 C22 87.88(9) .
C25 P2 C22 119.65(11) .
C31 P2 C22 118.42(11) .
F7 B1 C49 106.59(19) .
F7 B1 C37 109.11(18) .
C49 B1 C37 113.70(19) .
F7 B1 C43 106.52(19) .
C49 B1 C43 111.25(19) .
C37 B1 C43 109.37(19) .
C6 C1 C2 120.8(2) .
C6 C1 P1 120.78(18) .
C2 C1 P1 118.36(17) .
C3 C2 C1 118.9(2) .
C2 C3 C4 120.5(3) .
C5 C4 C3 120.0(2) .
C4 C5 C6 120.8(3) .
C5 C6 C1 119.0(2) .
C12 C7 C8 120.3(2) .
C12 C7 P1 121.25(18) .
C8 C7 P1 118.26(17) .
C9 C8 C7 119.6(2) .
C10 C9 C8 119.9(2) .
C11 C10 C9 120.6(2) .
C10 C11 C12 120.0(2) .
C7 C12 C11 119.5(2) .
C18 C13 C14 119.9(2) .
C18 C13 P1 122.81(18) .
C14 C13 P1 117.29(18) .
C15 C14 C13 119.8(2) .
C14 C15 C16 120.0(3) .
C17 C16 C15 120.0(2) .
C16 C17 C18 120.6(2) .
C17 C18 C13 119.6(2) .
C20 C19 C24 116.4(2) .
C20 C19 P1 125.46(17) .
C24 C19 P1 118.17(16) .
F4 C20 C21 117.5(2) .
F4 C20 C19 121.2(2) .
C21 C20 C19 121.3(2) .
F3 C21 C22 120.2(2) .
F3 C21 C20 117.7(2) .
C22 C21 C20 122.1(2) .
C21 C22 C23 116.6(2) .
C21 C22 P2 121.83(17) .
C23 C22 P2 121.50(17) .
F6 C23 C24 118.0(2) .
F6 C23 C22 120.6(2) .
C24 C23 C22 121.4(2) .
F5 C24 C23 118.3(2) .
F5 C24 C19 119.5(2) .
C23 C24 C19 122.1(2) .
C30 C25 C26 119.2(3) .
C30 C25 P2 120.2(2) .
C26 C25 P2 120.7(2) .
C27 C26 C25 119.8(3) .
C28 C27 C26 120.5(4) .
C29 C28 C27 120.5(3) .
C28 C29 C30 120.5(4) .
C25 C30 C29 119.4(3) .
C32 C31 C36 119.7(2) .
C32 C31 P2 120.29(19) .
C36 C31 P2 120.05(19) .
C31 C32 C33 119.5(3) .
C34 C33 C32 120.2(3) .
C33 C34 C35 120.3(3) .
C34 C35 C36 120.4(3) .
C35 C36 C31 119.8(3) .
C42 C37 C38 113.4(2) .
C42 C37 B1 124.1(2) .
C38 C37 B1 122.5(2) .
F8 C38 C39 116.6(2) .
F8 C38 C37 119.0(2) .
C39 C38 C37 124.4(3) .
F9 C39 C40 119.8(3) .
F9 C39 C38 120.8(3) .
C40 C39 C38 119.4(3) .
F10 C40 C39 120.9(3) .
F10 C40 C41 120.0(3) .
C39 C40 C41 119.1(2) .
F11 C41 C40 119.4(2) .
F11 C41 C42 121.0(3) .
C40 C41 C42 119.6(2) .
F12 C42 C37 121.3(2) .
F12 C42 C41 114.6(2) .
C37 C42 C41 124.1(2) .
C48 C43 C44 113.5(2) .
C48 C43 B1 118.9(2) .
C44 C43 B1 127.6(2) .
F13 C44 C45 115.4(2) .
F13 C44 C43 120.7(2) .
C45 C44 C43 123.9(2) .
F14 C45 C46 119.8(3) .
F14 C45 C44 120.7(3) .
C46 C45 C44 119.5(2) .
F15 C46 C47 120.3(3) .
F15 C46 C45 120.4(3) .
C47 C46 C45 119.3(3) .
F16 C47 C46 120.1(3) .
F16 C47 C48 120.6(3) .
C46 C47 C48 119.3(3) .
F17 C48 C47 116.2(2) .
F17 C48 C43 119.4(2) .
C47 C48 C43 124.5(2) .
C50 C49 C54 113.3(2) .
C50 C49 B1 127.9(2) .
C54 C49 B1 118.8(2) .
F18 C50 C51 114.9(2) .
F18 C50 C49 121.1(2) .
C51 C50 C49 123.9(3) .
F19 C51 C52 119.6(3) .
F19 C51 C50 120.6(3) .
C52 C51 C50 119.8(3) .
F20 C52 C51 119.8(3) .
F20 C52 C53 120.9(3) .
C51 C52 C53 119.3(2) .
F21 C53 C52 120.3(2) .
F21 C53 C54 120.8(3) .
C52 C53 C54 118.9(3) .
F22 C54 C53 115.8(2) .
F22 C54 C49 119.5(2) .
C53 C54 C49 124.7(2) .
C101 C101 C102 110.0(7) 2_565
C103 C102 C101 105.3(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C1 1.784(2) .
P1 C7 1.790(2) .
P1 C13 1.791(2) .
P1 C19 1.809(2) .
P2 F1 1.6539(15) .
P2 F2 1.6581(16) .
P2 C25 1.804(3) .
P2 C31 1.807(2) .
P2 C22 1.827(2) .
F3 C21 1.339(3) .
F4 C20 1.336(3) .
F5 C24 1.344(3) .
F6 C23 1.336(3) .
F7 B1 1.429(3) .
F8 C38 1.348(3) .
F9 C39 1.342(3) .
F10 C40 1.340(3) .
F11 C41 1.343(3) .
F12 C42 1.348(3) .
F13 C44 1.350(3) .
F14 C45 1.344(3) .
F15 C46 1.350(3) .
F16 C47 1.341(3) .
F17 C48 1.350(3) .
F18 C50 1.355(3) .
F19 C51 1.347(3) .
F20 C52 1.346(3) .
F21 C53 1.347(3) .
F22 C54 1.354(3) .
B1 C49 1.642(3) .
B1 C37 1.647(3) .
B1 C43 1.655(4) .
C1 C6 1.390(3) .
C1 C2 1.392(3) .
C2 C3 1.385(4) .
C3 C4 1.386(4) .
C4 C5 1.370(4) .
C5 C6 1.387(4) .
C7 C12 1.386(3) .
C7 C8 1.394(3) .
C8 C9 1.383(4) .
C9 C10 1.383(4) .
C10 C11 1.378(4) .
C11 C12 1.388(3) .
C13 C18 1.387(3) .
C13 C14 1.391(3) .
C14 C15 1.384(4) .
C15 C16 1.384(4) .
C16 C17 1.376(4) .
C17 C18 1.384(3) .
C19 C20 1.388(3) .
C19 C24 1.389(3) .
C20 C21 1.384(3) .
C21 C22 1.382(3) .
C22 C23 1.386(3) .
C23 C24 1.379(3) .
C25 C30 1.391(4) .
C25 C26 1.401(4) .
C26 C27 1.381(5) .
C27 C28 1.374(6) .
C28 C29 1.357(6) .
C29 C30 1.403(5) .
C31 C32 1.391(3) .
C31 C36 1.391(4) .
C32 C33 1.399(4) .
C33 C34 1.369(5) .
C34 C35 1.378(5) .
C35 C36 1.382(4) .
C37 C42 1.381(3) .
C37 C38 1.389(3) .
C38 C39 1.383(4) .
C39 C40 1.369(4) .
C40 C41 1.369(4) .
C41 C42 1.387(4) .
C43 C48 1.383(3) .
C43 C44 1.391(3) .
C44 C45 1.381(4) .
C45 C46 1.371(4) .
C46 C47 1.370(4) .
C47 C48 1.379(4) .
C49 C50 1.381(3) .
C49 C54 1.386(3) .
C50 C51 1.380(4) .
C51 C52 1.362(5) .
C52 C53 1.373(4) .
C53 C54 1.377(4) .
C101 C101 1.151(14) 2_565
C101 C102 1.460(7) .
C102 C103 1.420(8) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139160036
