# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'D W Stephan'
_publ_contact_author_email       DSTEPHAN@CHEM.UTORONTO.CA

_publ_section_title              
;
B-H Activation by Frustrated Lewis Pairs: Borenium or
Boryl Phosphonium Cation?
;
loop_
_publ_author_name
'D W Stephan'
'Meghan A Dureen'
'Thomas M. Gilbert'

# Attachment 'CIF.cif'

data_[(C6H4O2)B(Pt-Bu3)][HB(C6F5)3]
_database_code_depnum_ccdc_archive 'CCDC 688387'
_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C36 H32 B2 F15 O2 P'
_chemical_formula_weight         834.21

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'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           monclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   13.738(3)
_cell_length_b                   14.126(3)
_cell_length_c                   18.960(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.44(3)
_cell_angle_gamma                90.00
_cell_volume                     3629.6(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      25.0
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1696
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_T_max  0.998
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_reflns_number            21886
_diffrn_reflns_av_R_equivalents  0.0994
_diffrn_reflns_av_sigmaI/netI    0.1217
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6385
_reflns_number_gt                2917
_reflns_threshold_expression     >2sigma(I)
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         6385
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1647
_refine_ls_R_factor_gt           0.0569
_refine_ls_wR_factor_ref         0.1529
_refine_ls_wR_factor_gt          0.1126
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.92119(8) 0.61040(9) 0.19415(5) 0.0426(3) Uani 1 1 d . . .
F2 F 0.08107(18) 0.26841(19) 0.08328(11) 0.0623(7) Uani 1 1 d . . .
F10 F -0.01442(17) 0.27612(17) 0.29432(12) 0.0576(7) Uani 1 1 d . . .
F4 F -0.12282(19) 0.00797(19) 0.11104(11) 0.0668(8) Uani 1 1 d . . .
F6 F 0.24989(17) 0.14657(18) 0.45860(11) 0.0543(7) Uani 1 1 d . . .
F1 F 0.17177(18) 0.24856(18) 0.21908(11) 0.0600(7) Uani 1 1 d . . .
F11 F 0.26763(18) -0.05473(18) 0.36029(12) 0.0620(7) Uani 1 1 d . . .
F15 F -0.04683(17) 0.06894(17) 0.38004(12) 0.0561(7) Uani 1 1 d . . .
F3 F -0.06465(18) 0.14734(19) 0.02705(11) 0.0650(8) Uani 1 1 d . . .
F9 F -0.0297(2) 0.41520(19) 0.38459(13) 0.0706(8) Uani 1 1 d . . .
F14 F -0.08653(17) -0.08696(17) 0.44996(12) 0.0591(7) Uani 1 1 d . . .
F8 F 0.0915(2) 0.42372(19) 0.51386(13) 0.0758(8) Uani 1 1 d . . .
F12 F 0.22767(19) -0.20710(19) 0.43341(14) 0.0737(8) Uani 1 1 d . . .
F5 F -0.03698(19) -0.01333(18) 0.24431(11) 0.0669(8) Uani 1 1 d . . .
F13 F 0.05127(19) -0.22679(19) 0.47785(13) 0.0665(8) Uani 1 1 d . . .
F7 F 0.23305(19) 0.28758(19) 0.54852(12) 0.0711(8) Uani 1 1 d . . .
O1 O 1.0975(2) 0.4987(2) 0.24820(12) 0.0483(8) Uani 1 1 d . . .
O2 O 1.0541(2) 0.6032(2) 0.33003(13) 0.0506(8) Uani 1 1 d . . .
B2 B 1.0301(4) 0.5640(4) 0.2632(2) 0.0462(13) Uani 1 1 d . . .
B1 B 0.1354(4) 0.1104(4) 0.3214(2) 0.0432(13) Uani 1 1 d . . .
C32 C 1.1447(3) 0.5595(3) 0.3586(2) 0.0451(11) Uani 1 1 d . . .
C31 C 1.1707(3) 0.4981(3) 0.3097(2) 0.0446(11) Uani 1 1 d . . .
C35 C 1.3132(3) 0.4582(3) 0.3884(2) 0.0574(13) Uani 1 1 d . . .
H35A H 1.3716 0.4242 0.3998 0.069 Uiso 1 1 calc R . .
C36 C 1.2548(3) 0.4443(3) 0.3221(2) 0.0557(13) Uani 1 1 d . . .
H36A H 1.2716 0.4017 0.2886 0.067 Uiso 1 1 calc R . .
C33 C 1.2007(4) 0.5737(3) 0.4245(2) 0.0566(13) Uani 1 1 d . . .
H33A H 1.1823 0.6156 0.4578 0.068 Uiso 1 1 calc R . .
C20 C 0.8785(3) 0.7561(4) 0.2861(3) 0.0740(16) Uani 1 1 d . . .
H20A H 0.8324 0.7837 0.3131 0.111 Uiso 1 1 calc R . .
H20B H 0.8933 0.8008 0.2513 0.111 Uiso 1 1 calc R . .
H20C H 0.9380 0.7398 0.3178 0.111 Uiso 1 1 calc R . .
C34 C 1.2867(4) 0.5209(3) 0.4379(2) 0.0570(13) Uani 1 1 d . . .
H34A H 1.3281 0.5279 0.4817 0.068 Uiso 1 1 calc R . .
C19 C 0.8327(3) 0.6656(3) 0.2476(2) 0.0545(12) Uani 1 1 d . . .
C27 C 0.9844(3) 0.6996(3) 0.1437(2) 0.0570(13) Uani 1 1 d . . .
C23 C 0.8647(3) 0.5104(3) 0.1358(2) 0.0515(12) Uani 1 1 d . . .
C21 C 0.8135(3) 0.5966(4) 0.3066(2) 0.0744(16) Uani 1 1 d . . .
H21A H 0.7683 0.6249 0.3340 0.112 Uiso 1 1 calc R . .
H21B H 0.8745 0.5827 0.3374 0.112 Uiso 1 1 calc R . .
H21C H 0.7856 0.5391 0.2852 0.112 Uiso 1 1 calc R . .
C30 C 1.0652(4) 0.7516(4) 0.1964(3) 0.0833(18) Uani 1 1 d . . .
H30A H 1.0977 0.7971 0.1706 0.125 Uiso 1 1 calc R . .
H30B H 1.1126 0.7065 0.2189 0.125 Uiso 1 1 calc R . .
H30C H 1.0354 0.7835 0.2321 0.125 Uiso 1 1 calc R . .
C28 C 0.9131(3) 0.7725(4) 0.1031(2) 0.0720(15) Uani 1 1 d . . .
H28A H 0.9494 0.8160 0.0784 0.108 Uiso 1 1 calc R . .
H28B H 0.8806 0.8066 0.1363 0.108 Uiso 1 1 calc R . .
H28C H 0.8648 0.7404 0.0691 0.108 Uiso 1 1 calc R . .
C29 C 1.0399(4) 0.6496(4) 0.0890(2) 0.0847(18) Uani 1 1 d . . .
H29A H 1.0718 0.6961 0.0639 0.127 Uiso 1 1 calc R . .
H29B H 0.9936 0.6144 0.0555 0.127 Uiso 1 1 calc R . .
H29C H 1.0884 0.6072 0.1139 0.127 Uiso 1 1 calc R . .
C26 C 0.9451(4) 0.4437(4) 0.1168(2) 0.0763(16) Uani 1 1 d . . .
H26A H 0.9148 0.3934 0.0869 0.115 Uiso 1 1 calc R . .
H26B H 0.9819 0.4176 0.1598 0.115 Uiso 1 1 calc R . .
H26C H 0.9888 0.4785 0.0917 0.115 Uiso 1 1 calc R . .
C22 C 0.7343(3) 0.6937(4) 0.2010(2) 0.0687(15) Uani 1 1 d . . .
H22A H 0.6918 0.7219 0.2306 0.103 Uiso 1 1 calc R . .
H22B H 0.7032 0.6384 0.1781 0.103 Uiso 1 1 calc R . .
H22C H 0.7467 0.7384 0.1654 0.103 Uiso 1 1 calc R . .
C25 C 0.8003(3) 0.5484(3) 0.0672(2) 0.0608(13) Uani 1 1 d . . .
H25A H 0.7726 0.4962 0.0382 0.091 Uiso 1 1 calc R . .
H25B H 0.8402 0.5859 0.0408 0.091 Uiso 1 1 calc R . .
H25C H 0.7480 0.5867 0.0799 0.091 Uiso 1 1 calc R . .
C24 C 0.7982(4) 0.4490(3) 0.1755(2) 0.0755(16) Uani 1 1 d . . .
H24A H 0.7703 0.3984 0.1449 0.113 Uiso 1 1 calc R . .
H24B H 0.7462 0.4873 0.1884 0.113 Uiso 1 1 calc R . .
H24C H 0.8368 0.4231 0.2179 0.113 Uiso 1 1 calc R . .
C12 C 0.0514(3) 0.2751(3) 0.3567(2) 0.0459(11) Uani 1 1 d . . .
C13 C 0.1111(3) 0.0150(3) 0.36451(18) 0.0389(10) Uani 1 1 d . . .
C6 C -0.0020(3) 0.0594(3) 0.2077(2) 0.0472(11) Uani 1 1 d . . .
C2 C 0.0987(3) 0.1864(3) 0.1941(2) 0.0453(11) Uani 1 1 d . . .
C17 C 0.0021(3) -0.0778(3) 0.4277(2) 0.0435(11) Uani 1 1 d . . .
C3 C 0.0534(3) 0.1982(3) 0.1244(2) 0.0467(11) Uani 1 1 d . . .
C7 C 0.1198(3) 0.2033(3) 0.37072(19) 0.0419(11) Uani 1 1 d . . .
C4 C -0.0201(3) 0.1379(3) 0.0964(2) 0.0495(12) Uani 1 1 d . . .
C14 C 0.1772(3) -0.0580(3) 0.3806(2) 0.0440(11) Uani 1 1 d . . .
C8 C 0.1792(3) 0.2133(3) 0.4369(2) 0.0454(11) Uani 1 1 d . . .
C16 C 0.0705(3) -0.1483(3) 0.4419(2) 0.0470(11) Uani 1 1 d . . .
C1 C 0.0735(3) 0.1167(3) 0.2403(2) 0.0436(11) Uani 1 1 d . . .
C5 C -0.0495(3) 0.0687(3) 0.1380(2) 0.0495(12) Uani 1 1 d . . .
C15 C 0.1584(3) -0.1383(3) 0.4180(2) 0.0502(12) Uani 1 1 d . . .
C18 C 0.0242(3) 0.0008(3) 0.3913(2) 0.0434(11) Uani 1 1 d . . .
C9 C 0.1728(3) 0.2850(4) 0.4843(2) 0.0509(12) Uani 1 1 d . . .
C10 C 0.1020(4) 0.3536(3) 0.4673(2) 0.0556(13) Uani 1 1 d . . .
C11 C 0.0407(3) 0.3486(3) 0.4028(2) 0.0513(12) Uani 1 1 d . . .
H1 H 0.221(2) 0.110(2) 0.3130(13) 0.022(8) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
P1 0.0417(7) 0.0434(8) 0.0430(6) -0.0009(5) 0.0078(5) 0.0003(6)
F2 0.0660(17) 0.070(2) 0.0505(14) 0.0174(14) 0.0073(12) -0.0121(15)
F10 0.0504(16) 0.0607(18) 0.0593(15) 0.0032(13) 0.0017(12) 0.0053(13)
F4 0.0790(19) 0.067(2) 0.0508(14) -0.0026(13) -0.0010(13) -0.0246(16)
F6 0.0534(15) 0.0606(18) 0.0475(13) 0.0032(12) 0.0040(11) 0.0034(14)
F1 0.0625(17) 0.0631(18) 0.0526(14) 0.0102(13) 0.0040(12) -0.0225(15)
F11 0.0517(17) 0.0565(19) 0.0838(17) 0.0125(14) 0.0291(13) 0.0081(14)
F15 0.0440(15) 0.0527(17) 0.0729(16) 0.0108(13) 0.0138(12) 0.0041(14)
F3 0.0694(17) 0.079(2) 0.0436(14) 0.0037(13) -0.0002(12) -0.0100(15)
F9 0.079(2) 0.0540(19) 0.0822(18) 0.0035(14) 0.0231(15) 0.0149(17)
F14 0.0481(16) 0.0631(19) 0.0702(15) 0.0088(13) 0.0216(13) -0.0039(14)
F8 0.106(2) 0.0591(19) 0.0679(16) -0.0151(15) 0.0297(15) 0.0014(17)
F12 0.0596(18) 0.0564(19) 0.108(2) 0.0269(16) 0.0223(15) 0.0105(16)
F5 0.0806(19) 0.063(2) 0.0523(14) 0.0089(13) -0.0030(13) -0.0302(16)
F13 0.0681(18) 0.0559(19) 0.0785(17) 0.0227(15) 0.0202(14) -0.0028(15)
F7 0.080(2) 0.084(2) 0.0477(15) -0.0098(14) 0.0053(14) -0.0053(16)
O1 0.0473(18) 0.057(2) 0.0402(16) -0.0031(14) 0.0046(14) 0.0092(16)
O2 0.0538(19) 0.048(2) 0.0483(17) -0.0034(15) 0.0038(14) 0.0084(16)
B2 0.050(3) 0.042(4) 0.049(3) -0.001(3) 0.013(2) -0.010(3)
B1 0.044(3) 0.044(3) 0.043(3) 0.006(2) 0.010(2) -0.005(3)
C32 0.048(3) 0.037(3) 0.050(3) 0.001(2) 0.007(2) 0.008(2)
C31 0.043(3) 0.049(3) 0.041(2) 0.005(2) 0.005(2) 0.006(2)
C35 0.055(3) 0.061(4) 0.053(3) 0.004(3) 0.000(2) 0.006(3)
C36 0.055(3) 0.064(4) 0.048(3) -0.001(2) 0.007(2) 0.012(3)
C33 0.078(4) 0.047(3) 0.040(3) -0.004(2) -0.004(2) 0.002(3)
C20 0.062(3) 0.073(4) 0.083(3) -0.032(3) -0.002(3) 0.012(3)
C34 0.065(3) 0.050(3) 0.049(3) 0.007(2) -0.009(2) -0.004(3)
C19 0.045(3) 0.067(4) 0.051(3) -0.010(3) 0.010(2) 0.006(3)
C27 0.045(3) 0.062(4) 0.063(3) 0.021(3) 0.005(2) -0.008(3)
C23 0.052(3) 0.050(3) 0.051(3) -0.005(2) 0.002(2) 0.002(3)
C21 0.062(3) 0.103(5) 0.064(3) -0.004(3) 0.026(3) -0.001(3)
C30 0.060(3) 0.088(4) 0.095(4) 0.031(3) -0.009(3) -0.029(3)
C28 0.064(3) 0.072(4) 0.075(3) 0.022(3) -0.002(3) -0.010(3)
C29 0.071(4) 0.117(5) 0.073(3) 0.027(3) 0.034(3) 0.009(4)
C26 0.085(4) 0.065(4) 0.074(3) -0.025(3) -0.005(3) 0.021(3)
C22 0.048(3) 0.081(4) 0.077(3) -0.017(3) 0.009(3) 0.009(3)
C25 0.061(3) 0.064(4) 0.054(3) -0.009(2) 0.000(2) 0.001(3)
C24 0.093(4) 0.047(3) 0.081(3) 0.008(3) 0.000(3) -0.023(3)
C12 0.045(3) 0.051(3) 0.041(3) 0.004(2) 0.006(2) -0.007(3)
C13 0.036(3) 0.045(3) 0.035(2) 0.000(2) 0.0030(19) 0.000(2)
C6 0.056(3) 0.041(3) 0.045(3) 0.006(2) 0.009(2) -0.006(3)
C2 0.045(3) 0.048(3) 0.044(3) -0.006(2) 0.008(2) -0.008(2)
C17 0.041(3) 0.043(3) 0.048(2) 0.001(2) 0.014(2) -0.003(3)
C3 0.049(3) 0.049(3) 0.044(3) 0.006(2) 0.012(2) 0.001(3)
C7 0.042(3) 0.045(3) 0.040(2) 0.001(2) 0.010(2) -0.005(2)
C4 0.049(3) 0.059(4) 0.039(3) 0.002(2) 0.003(2) 0.001(3)
C14 0.038(3) 0.050(3) 0.047(2) 0.001(2) 0.013(2) 0.001(2)
C8 0.047(3) 0.044(3) 0.048(3) 0.002(2) 0.016(2) -0.001(2)
C16 0.053(3) 0.043(3) 0.045(2) 0.009(2) 0.009(2) -0.001(3)
C1 0.045(3) 0.040(3) 0.048(2) 0.002(2) 0.013(2) -0.001(2)
C5 0.051(3) 0.045(3) 0.051(3) -0.008(2) 0.003(2) -0.016(3)
C15 0.049(3) 0.042(3) 0.059(3) 0.007(2) 0.008(2) 0.010(3)
C18 0.039(3) 0.042(3) 0.048(2) 0.003(2) 0.002(2) 0.010(2)
C9 0.053(3) 0.057(4) 0.045(3) 0.002(2) 0.014(2) -0.005(3)
C10 0.072(4) 0.047(3) 0.053(3) -0.007(3) 0.026(3) -0.010(3)
C11 0.058(3) 0.039(3) 0.062(3) 0.010(3) 0.025(3) 0.001(3)

_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
P1 C19 1.876(4) . ?
P1 C27 1.879(4) . ?
P1 C23 1.881(4) . ?
P1 B2 1.933(5) . ?
F2 C3 1.354(5) . ?
F10 C12 1.366(4) . ?
F4 C5 1.358(5) . ?
F6 C8 1.368(5) . ?
F1 C2 1.359(4) . ?
F11 C14 1.361(4) . ?
F15 C18 1.363(4) . ?
F3 C4 1.363(4) . ?
F9 C11 1.353(5) . ?
F14 C17 1.359(4) . ?
F8 C10 1.350(5) . ?
F12 C15 1.358(5) . ?
F5 C6 1.371(4) . ?
F13 C16 1.351(5) . ?
F7 C9 1.356(5) . ?
O1 B2 1.369(6) . ?
O1 C31 1.409(4) . ?
O2 B2 1.373(5) . ?
O2 C32 1.414(5) . ?
B1 C1 1.634(6) . ?
B1 C13 1.638(6) . ?
B1 C7 1.646(6) . ?
C32 C31 1.361(5) . ?
C32 C33 1.370(5) . ?
C31 C36 1.371(6) . ?
C35 C34 1.382(6) . ?
C35 C36 1.390(5) . ?
C33 C34 1.386(6) . ?
C20 C19 1.553(6) . ?
C19 C21 1.538(6) . ?
C19 C22 1.541(6) . ?
C27 C28 1.538(6) . ?
C27 C30 1.550(6) . ?
C27 C29 1.555(6) . ?
C23 C26 1.539(6) . ?
C23 C24 1.543(6) . ?
C23 C25 1.544(5) . ?
C12 C7 1.379(6) . ?
C12 C11 1.380(6) . ?
C13 C14 1.376(5) . ?
C13 C18 1.386(5) . ?
C6 C1 1.380(5) . ?
C6 C5 1.380(5) . ?
C2 C3 1.376(5) . ?
C2 C1 1.398(5) . ?
C17 C16 1.366(6) . ?
C17 C18 1.366(5) . ?
C3 C4 1.360(6) . ?
C7 C8 1.387(5) . ?
C4 C5 1.358(6) . ?
C14 C15 1.383(6) . ?
C8 C9 1.366(6) . ?
C16 C15 1.365(6) . ?
C9 C10 1.373(6) . ?
C10 C11 1.368(6) . ?

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 P1 C27 113.0(2) . . ?
C19 P1 C23 112.9(2) . . ?
C27 P1 C23 112.6(2) . . ?
C19 P1 B2 105.8(2) . . ?
C27 P1 B2 101.6(2) . . ?
C23 P1 B2 110.0(2) . . ?
B2 O1 C31 104.4(3) . . ?
B2 O2 C32 104.0(3) . . ?
O1 B2 O2 113.2(4) . . ?
O1 B2 P1 124.2(3) . . ?
O2 B2 P1 122.1(4) . . ?
C1 B1 C13 113.4(4) . . ?
C1 B1 C7 113.3(4) . . ?
C13 B1 C7 108.5(3) . . ?
C31 C32 C33 123.0(4) . . ?
C31 C32 O2 109.2(3) . . ?
C33 C32 O2 127.8(4) . . ?
C32 C31 C36 123.0(4) . . ?
C32 C31 O1 109.2(4) . . ?
C36 C31 O1 127.8(4) . . ?
C34 C35 C36 121.9(4) . . ?
C31 C36 C35 115.0(4) . . ?
C32 C33 C34 115.1(4) . . ?
C35 C34 C33 122.1(4) . . ?
C21 C19 C22 109.9(4) . . ?
C21 C19 C20 106.6(4) . . ?
C22 C19 C20 107.8(4) . . ?
C21 C19 P1 109.5(3) . . ?
C22 C19 P1 112.5(3) . . ?
C20 C19 P1 110.4(3) . . ?
C28 C27 C30 109.6(4) . . ?
C28 C27 C29 108.2(4) . . ?
C30 C27 C29 105.5(4) . . ?
C28 C27 P1 113.2(3) . . ?
C30 C27 P1 109.4(3) . . ?
C29 C27 P1 110.6(3) . . ?
C26 C23 C24 106.0(4) . . ?
C26 C23 C25 110.4(3) . . ?
C24 C23 C25 107.6(4) . . ?
C26 C23 P1 110.8(3) . . ?
C24 C23 P1 110.8(3) . . ?
C25 C23 P1 111.0(3) . . ?
F10 C12 C7 120.6(4) . . ?
F10 C12 C11 114.6(4) . . ?
C7 C12 C11 124.8(4) . . ?
C14 C13 C18 112.7(4) . . ?
C14 C13 B1 123.1(4) . . ?
C18 C13 B1 124.1(4) . . ?
F5 C6 C1 120.8(4) . . ?
F5 C6 C5 114.0(4) . . ?
C1 C6 C5 125.2(4) . . ?
F1 C2 C3 116.6(4) . . ?
F1 C2 C1 118.8(3) . . ?
C3 C2 C1 124.6(4) . . ?
F14 C17 C16 119.5(4) . . ?
F14 C17 C18 121.3(4) . . ?
C16 C17 C18 119.3(4) . . ?
F2 C3 C4 119.7(4) . . ?
F2 C3 C2 121.1(4) . . ?
C4 C3 C2 119.2(4) . . ?
C12 C7 C8 112.3(4) . . ?
C12 C7 B1 128.7(4) . . ?
C8 C7 B1 118.9(4) . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 F3 120.1(4) . . ?
C3 C4 F3 120.1(4) . . ?
F11 C14 C13 120.8(4) . . ?
F11 C14 C15 115.4(4) . . ?
C13 C14 C15 123.8(4) . . ?
C9 C8 F6 115.6(4) . . ?
C9 C8 C7 125.4(4) . . ?
F6 C8 C7 119.0(4) . . ?
F13 C16 C15 120.6(4) . . ?
F13 C16 C17 120.9(4) . . ?
C15 C16 C17 118.5(4) . . ?
C6 C1 C2 112.2(4) . . ?
C6 C1 B1 128.8(4) . . ?
C2 C1 B1 119.0(4) . . ?
F4 C5 C4 120.6(4) . . ?
F4 C5 C6 120.4(4) . . ?
C4 C5 C6 119.0(4) . . ?
F12 C15 C16 118.8(4) . . ?
F12 C15 C14 120.9(4) . . ?
C16 C15 C14 120.3(4) . . ?
F15 C18 C17 116.1(4) . . ?
F15 C18 C13 118.5(4) . . ?
C17 C18 C13 125.4(4) . . ?
F7 C9 C8 121.0(4) . . ?
F7 C9 C10 119.8(4) . . ?
C8 C9 C10 119.2(4) . . ?
F8 C10 C11 120.4(5) . . ?
F8 C10 C9 120.8(4) . . ?
C11 C10 C9 118.8(4) . . ?
F9 C11 C10 120.1(4) . . ?
F9 C11 C12 120.5(4) . . ?
C10 C11 C12 119.4(4) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.238
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.058
#===end