#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:43:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179344 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/41/4324165.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_4324165
loop_
_publ_author_name
'Stephen J. Geier'
'Thomas M. Gilbert'
'Douglas W. Stephan'
_publ_section_title
;
 Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              336
_journal_page_last               344
_journal_paper_doi               10.1021/ic102003x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C20 H20 B F10 P'
_chemical_formula_weight         492.14
_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                96.656(2)
_cell_angle_beta                 95.583(2)
_cell_angle_gamma                109.144(2)
_cell_formula_units_Z            4
_cell_length_a                   9.5420(17)
_cell_length_b                   12.872(2)
_cell_length_c                   19.447(3)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     2217.8(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.1563
_diffrn_reflns_av_sigmaI/netI    0.2444
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20762
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.212
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.536522
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         7778
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.2563
_refine_ls_R_factor_gt           0.0949
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1285P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2123
_refine_ls_wR_factor_ref         0.2839
_reflns_number_gt                2777
_reflns_number_total             7778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102003x_si_002_7.cif
_cod_data_source_block           (tBu2PH)(BH(C6F5)2)
_cod_original_cell_volume        2217.9(7)
_cod_database_code               4324165
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
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.5638(2) 0.20979(15) 0.43677(10) 0.0446(6) Uani 1 1 d . . .
P2A P 0.3326(8) 0.7820(6) -0.0202(4) 0.0500(19) Uani 0.30 1 d P . .
P2 P 0.2254(4) 0.7147(3) -0.03405(16) 0.0586(9) Uani 0.70 1 d P . .
F10 F 0.3737(5) 0.4295(3) 0.5826(2) 0.0633(13) Uani 1 1 d . . .
F6 F 0.3289(5) 0.0542(3) 0.5143(2) 0.0668(13) Uani 1 1 d . . .
F1 F 0.6059(5) 0.1538(3) 0.6042(2) 0.0667(13) Uani 1 1 d . . .
F7 F 0.0806(5) -0.0101(4) 0.5736(3) 0.0806(15) Uani 1 1 d . . .
F5 F 0.7199(5) 0.5294(3) 0.5747(2) 0.0698(14) Uani 1 1 d . . .
F2 F 0.7982(5) 0.2172(4) 0.7237(2) 0.0830(15) Uani 1 1 d . . .
F9 F 0.1253(5) 0.3622(4) 0.6411(3) 0.0870(16) Uani 1 1 d . . .
F8 F -0.0235(5) 0.1422(4) 0.6373(3) 0.0929(17) Uani 1 1 d . . .
F3 F 0.9548(5) 0.4357(5) 0.7678(3) 0.1054(19) Uani 1 1 d . . .
F4 F 0.9089(5) 0.5913(4) 0.6933(3) 0.1009(19) Uani 1 1 d . . .
C7 C 0.3634(7) 0.2457(6) 0.5444(4) 0.0401(18) Uani 1 1 d . . .
C10 C 0.1006(8) 0.1749(7) 0.6082(4) 0.055(2) Uani 1 1 d . . .
C8 C 0.2819(8) 0.1351(6) 0.5459(4) 0.0455(19) Uani 1 1 d . . .
F13 F 0.5147(6) 0.5593(6) 0.2684(3) 0.120(2) Uani 1 1 d . . .
C2 C 0.6802(8) 0.2652(7) 0.6250(4) 0.049(2) Uani 1 1 d . . .
C12 C 0.3034(8) 0.3185(6) 0.5782(4) 0.0438(19) Uani 1 1 d . . .
C1 C 0.6518(7) 0.3376(6) 0.5836(4) 0.0405(18) Uani 1 1 d . . .
B1 B 0.5241(9) 0.3002(7) 0.5161(4) 0.044(2) Uani 1 1 d . . .
F14 F 0.5998(6) 0.7816(6) 0.2752(3) 0.117(2) Uani 1 1 d . . .
C9 C 0.1538(8) 0.1004(6) 0.5763(4) 0.051(2) Uani 1 1 d . . .
F16 F -0.0275(6) 0.6185(5) 0.0869(3) 0.1083(19) Uani 1 1 d . . .
C17 C 0.7624(8) 0.2647(6) 0.4226(4) 0.050(2) Uani 1 1 d . . .
C11 C 0.1763(9) 0.2861(7) 0.6083(4) 0.055(2) Uani 1 1 d . . .
C20 C 0.8564(9) 0.2400(7) 0.4836(4) 0.075(3) Uani 1 1 d . . .
H20A H 0.9605 0.2674 0.4781 0.112 Uiso 1 1 calc R . .
H20B H 0.8249 0.1611 0.4836 0.112 Uiso 1 1 calc R . .
H20C H 0.8424 0.2761 0.5271 0.112 Uiso 1 1 calc R . .
C5 C 0.8332(9) 0.4824(7) 0.6694(5) 0.059(2) Uani 1 1 d . . .
C6 C 0.7340(8) 0.4488(7) 0.6095(4) 0.049(2) Uani 1 1 d . . .
C4 C 0.8563(8) 0.4056(9) 0.7084(4) 0.062(3) Uani 1 1 d . . .
F11 F 0.1903(6) 0.5151(5) 0.0649(3) 0.117(2) Uani 1 1 d . . .
C27 C 0.1416(10) 0.7999(9) 0.0987(4) 0.062(2) Uani 1 1 d . . .
F17 F -0.2188(7) 0.6820(5) 0.1574(4) 0.153(3) Uani 1 1 d . . .
C21 C 0.3355(10) 0.6986(9) 0.1157(5) 0.065(2) Uani 1 1 d . . .
F12 F 0.3048(7) 0.4272(6) 0.1642(3) 0.127(2) Uani 1 1 d . . .
F15 F 0.4882(6) 0.8716(6) 0.1788(3) 0.1106(19) Uani 1 1 d . . .
C3 C 0.7773(9) 0.2947(8) 0.6855(4) 0.058(2) Uani 1 1 d . . .
C28 C 0.0097(11) 0.7281(8) 0.1105(5) 0.066(2) Uani 1 1 d . . .
C13 C 0.4273(9) 0.1900(6) 0.3574(4) 0.058(2) Uani 1 1 d . . .
F18 F -0.1568(8) 0.8986(6) 0.2060(4) 0.150(3) Uani 1 1 d . . .
F20 F 0.2914(6) 0.9918(5) 0.1180(4) 0.133(2) Uani 1 1 d . . .
F19 F 0.0990(8) 1.0527(5) 0.1869(4) 0.142(3) Uani 1 1 d . . .
C25 C 0.5001(10) 0.7129(11) 0.2213(5) 0.073(3) Uani 1 1 d . . .
C16 C 0.2718(9) 0.1699(8) 0.3778(5) 0.091(3) Uani 1 1 d . . .
H16A H 0.2013 0.1600 0.3367 0.137 Uiso 1 1 calc R . .
H16B H 0.2731 0.2327 0.4100 0.137 Uiso 1 1 calc R . .
H16C H 0.2427 0.1042 0.3995 0.137 Uiso 1 1 calc R . .
C30 C -0.0589(14) 0.8681(12) 0.1712(6) 0.091(3) Uani 1 1 d . . .
C24 C 0.4553(12) 0.6021(11) 0.2176(5) 0.073(3) Uani 1 1 d . . .
C19 C 0.7912(10) 0.2037(7) 0.3556(4) 0.075(3) Uani 1 1 d . . .
H19A H 0.8951 0.2343 0.3505 0.113 Uiso 1 1 calc R . .
H19B H 0.7307 0.2128 0.3159 0.113 Uiso 1 1 calc R . .
H19C H 0.7656 0.1259 0.3586 0.113 Uiso 1 1 calc R . .
C18 C 0.8183(9) 0.3919(6) 0.4237(5) 0.073(3) Uani 1 1 d . . .
H18A H 0.9215 0.4169 0.4165 0.109 Uiso 1 1 calc R . .
H18B H 0.8090 0.4284 0.4681 0.109 Uiso 1 1 calc R . .
H18C H 0.7591 0.4096 0.3871 0.109 Uiso 1 1 calc R . .
C32 C 0.1653(11) 0.9097(10) 0.1256(6) 0.076(3) Uani 1 1 d . . .
C26 C 0.4395(11) 0.7601(9) 0.1708(5) 0.070(3) Uani 1 1 d . . .
C22 C 0.2943(10) 0.5858(10) 0.1153(5) 0.073(3) Uani 1 1 d . . .
C15 C 0.4671(11) 0.2930(7) 0.3206(4) 0.087(3) Uani 1 1 d . . .
H15A H 0.3938 0.2802 0.2801 0.130 Uiso 1 1 calc R . .
H15B H 0.5643 0.3068 0.3064 0.130 Uiso 1 1 calc R . .
H15C H 0.4679 0.3563 0.3522 0.130 Uiso 1 1 calc R . .
C40 C 0.011(2) 0.7971(12) -0.0593(7) 0.177(7) Uani 1 1 d . . .
H40A H -0.0353 0.8368 -0.0874 0.266 Uiso 1 1 calc R . .
H40B H 0.0316 0.8325 -0.0114 0.266 Uiso 1 1 calc R . .
H40C H -0.0556 0.7217 -0.0629 0.266 Uiso 1 1 calc R . .
C29 C -0.0910(11) 0.7586(10) 0.1468(6) 0.082(3) Uani 1 1 d . . .
C23 C 0.3518(12) 0.5368(10) 0.1663(6) 0.078(3) Uani 1 1 d . . .
C31 C 0.0703(14) 0.9451(9) 0.1613(6) 0.082(3) Uani 1 1 d . . .
B2 B 0.2686(16) 0.7643(15) 0.0629(6) 0.128(6) Uani 1 1 d . . .
C37 C 0.1556(15) 0.7975(8) -0.0848(5) 0.103(4) Uani 1 1 d . . .
C39 C 0.2537(19) 0.9182(12) -0.0816(13) 0.38(2) Uani 1 1 d . . .
H39A H 0.2022 0.9544 -0.1101 0.572 Uiso 1 1 calc R . .
H39B H 0.3459 0.9212 -0.0985 0.572 Uiso 1 1 calc R . .
H39C H 0.2750 0.9554 -0.0340 0.572 Uiso 1 1 calc R . .
C14 C 0.4211(12) 0.0857(7) 0.3041(5) 0.105(4) Uani 1 1 d . . .
H14A H 0.3498 0.0764 0.2635 0.158 Uiso 1 1 calc R . .
H14B H 0.3914 0.0203 0.3260 0.158 Uiso 1 1 calc R . .
H14C H 0.5184 0.0970 0.2904 0.158 Uiso 1 1 calc R . .
C33 C 0.4133(18) 0.7028(10) -0.0620(7) 0.139(5) Uani 1 1 d . . .
C36 C 0.453(2) 0.6283(18) -0.0316(8) 0.281(13) Uani 1 1 d . . .
H36A H 0.5424 0.6220 -0.0481 0.421 Uiso 1 1 calc R . .
H36B H 0.3741 0.5574 -0.0428 0.421 Uiso 1 1 calc R . .
H36C H 0.4730 0.6512 0.0182 0.421 Uiso 1 1 calc R . .
C38 C 0.1139(17) 0.7453(15) -0.1584(7) 0.225(9) Uani 1 1 d . . .
H38A H 0.0671 0.7874 -0.1840 0.338 Uiso 1 1 calc R . .
H38B H 0.0452 0.6706 -0.1616 0.338 Uiso 1 1 calc R . .
H38C H 0.2022 0.7435 -0.1776 0.338 Uiso 1 1 calc R . .
C35 C 0.336(2) 0.6185(17) -0.1438(8) 0.260(10) Uani 1 1 d . . .
H35A H 0.4138 0.6000 -0.1648 0.390 Uiso 1 1 calc R . .
H35B H 0.2934 0.6579 -0.1736 0.390 Uiso 1 1 calc R . .
H35C H 0.2600 0.5514 -0.1374 0.390 Uiso 1 1 calc R . .
C34 C 0.5128(16) 0.7798(14) -0.0958(11) 0.272(12) Uani 1 1 d . . .
H34A H 0.5936 0.7542 -0.1057 0.408 Uiso 1 1 calc R . .
H34B H 0.5521 0.8508 -0.0660 0.408 Uiso 1 1 calc R . .
H34C H 0.4606 0.7870 -0.1388 0.408 Uiso 1 1 calc R . .
H2 H 0.521(6) 0.372(5) 0.489(3) 0.041(17) Uiso 1 1 d . . .
H1 H 0.554(5) 0.105(4) 0.444(3) 0.030(15) Uiso 1 1 d . . .
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'
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
C17 P1 C13 113.9(4) . . ?
C17 P1 B1 111.6(3) . . ?
C13 P1 B1 111.4(4) . . ?
P2 P2A C33 89.4(7) . . ?
P2 P2A B2 77.1(7) . . ?
C33 P2A B2 124.9(7) . . ?
P2 P2A C37 58.3(5) . . ?
C33 P2A C37 111.6(7) . . ?
B2 P2A C37 105.7(6) . . ?
P2A P2 C37 90.3(6) . . ?
P2A P2 B2 68.6(6) . . ?
C37 P2 B2 116.0(6) . . ?
P2A P2 C33 57.1(6) . . ?
C37 P2 C33 111.8(6) . . ?
B2 P2 C33 105.2(6) . . ?
C12 C7 C8 112.7(7) . . ?
C12 C7 B1 117.4(6) . . ?
C8 C7 B1 129.6(7) . . ?
F8 C10 C9 121.0(8) . . ?
F8 C10 C11 120.8(8) . . ?
C9 C10 C11 118.2(8) . . ?
F6 C8 C9 117.1(6) . . ?
F6 C8 C7 118.8(7) . . ?
C9 C8 C7 124.0(7) . . ?
C3 C2 F1 116.4(8) . . ?
C3 C2 C1 125.5(8) . . ?
F1 C2 C1 118.2(7) . . ?
F10 C12 C11 116.5(7) . . ?
F10 C12 C7 119.2(7) . . ?
C11 C12 C7 124.3(7) . . ?
C2 C1 C6 113.4(7) . . ?
C2 C1 B1 123.9(6) . . ?
C6 C1 B1 122.5(7) . . ?
C1 B1 C7 106.6(6) . . ?
C1 B1 P1 114.7(5) . . ?
C7 B1 P1 116.0(5) . . ?
C10 C9 F7 120.1(7) . . ?
C10 C9 C8 120.5(7) . . ?
F7 C9 C8 119.4(7) . . ?
C19 C17 C20 105.9(6) . . ?
C19 C17 C18 111.2(6) . . ?
C20 C17 C18 107.9(6) . . ?
C19 C17 P1 112.2(5) . . ?
C20 C17 P1 107.0(5) . . ?
C18 C17 P1 112.2(5) . . ?
F9 C11 C12 120.9(7) . . ?
F9 C11 C10 118.9(8) . . ?
C12 C11 C10 120.2(7) . . ?
F4 C5 C6 121.5(9) . . ?
F4 C5 C4 118.1(8) . . ?
C6 C5 C4 120.4(8) . . ?
F5 C6 C5 116.1(7) . . ?
F5 C6 C1 120.5(7) . . ?
C5 C6 C1 123.4(8) . . ?
F3 C4 C5 122.1(9) . . ?
F3 C4 C3 119.3(9) . . ?
C5 C4 C3 118.6(8) . . ?
C28 C27 C32 113.3(8) . . ?
C28 C27 B2 125.1(11) . . ?
C32 C27 B2 121.5(11) . . ?
C26 C21 C22 113.8(9) . . ?
C26 C21 B2 117.7(11) . . ?
C22 C21 B2 128.3(11) . . ?
C2 C3 F2 121.7(8) . . ?
C2 C3 C4 118.8(8) . . ?
F2 C3 C4 119.6(8) . . ?
F16 C28 C27 119.3(9) . . ?
F16 C28 C29 116.2(9) . . ?
C27 C28 C29 124.5(9) . . ?
C16 C13 C15 107.8(7) . . ?
C16 C13 C14 108.2(7) . . ?
C15 C13 C14 109.0(7) . . ?
C16 C13 P1 109.5(5) . . ?
C15 C13 P1 111.7(5) . . ?
C14 C13 P1 110.5(6) . . ?
C24 C25 F14 121.4(11) . . ?
C24 C25 C26 120.3(10) . . ?
F14 C25 C26 118.3(11) . . ?
F18 C30 C31 120.4(12) . . ?
F18 C30 C29 118.7(12) . . ?
C31 C30 C29 120.8(10) . . ?
C23 C24 C25 120.3(10) . . ?
C23 C24 F13 121.1(12) . . ?
C25 C24 F13 118.6(11) . . ?
F20 C32 C31 114.2(12) . . ?
F20 C32 C27 120.7(11) . . ?
C31 C32 C27 125.1(9) . . ?
F15 C26 C21 120.4(9) . . ?
F15 C26 C25 116.7(10) . . ?
C21 C26 C25 122.9(10) . . ?
F11 C22 C21 120.4(10) . . ?
F11 C22 C23 115.4(11) . . ?
C21 C22 C23 124.2(10) . . ?
F17 C29 C30 120.7(11) . . ?
F17 C29 C28 120.9(10) . . ?
C30 C29 C28 118.3(10) . . ?
C24 C23 F12 119.9(11) . . ?
C24 C23 C22 118.5(11) . . ?
F12 C23 C22 121.6(11) . . ?
F19 C31 C30 119.1(13) . . ?
F19 C31 C32 122.8(12) . . ?
C30 C31 C32 118.0(10) . . ?
C21 B2 C27 107.5(8) . . ?
C21 B2 P2A 120.9(8) . . ?
C27 B2 P2A 131.5(8) . . ?
C21 B2 P2 121.7(9) . . ?
C27 B2 P2 116.2(8) . . ?
P2A B2 P2 34.3(3) . . ?
C38 C37 C40 105.6(11) . . ?
C38 C37 C39 108.4(13) . . ?
C40 C37 C39 107.5(14) . . ?
C38 C37 P2 110.8(11) . . ?
C40 C37 P2 106.2(8) . . ?
C39 C37 P2 117.7(8) . . ?
C38 C37 P2A 122.5(12) . . ?
C40 C37 P2A 122.6(8) . . ?
C39 C37 P2A 86.4(7) . . ?
P2 C37 P2A 31.5(3) . . ?
C36 C33 C34 121.6(16) . . ?
C36 C33 P2A 121.0(10) . . ?
C34 C33 P2A 101.5(12) . . ?
C36 C33 C35 96.8(13) . . ?
C34 C33 C35 88.9(12) . . ?
P2A C33 C35 124.2(12) . . ?
C36 C33 P2 111.7(9) . . ?
C34 C33 P2 125.1(12) . . ?
P2A C33 P2 33.5(3) . . ?
C35 C33 P2 97.6(10) . . ?
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 C17 1.854(7) . ?
P1 C13 1.856(7) . ?
P1 B1 1.966(9) . ?
P2A P2 1.087(7) . ?
P2A C33 1.655(13) . ?
P2A B2 1.795(14) . ?
P2A C37 2.082(14) . ?
P2 C37 1.771(11) . ?
P2 B2 1.878(13) . ?
P2 C33 1.971(13) . ?
F10 C12 1.354(7) . ?
F6 C8 1.368(8) . ?
F1 C2 1.365(8) . ?
F7 C9 1.356(8) . ?
F5 C6 1.338(8) . ?
F2 C3 1.365(9) . ?
F9 C11 1.353(8) . ?
F8 C10 1.327(8) . ?
F3 C4 1.345(8) . ?
F4 C5 1.350(8) . ?
C7 C12 1.385(9) . ?
C7 C8 1.386(9) . ?
C7 B1 1.642(11) . ?
C10 C9 1.343(10) . ?
C10 C11 1.375(10) . ?
C8 C9 1.374(9) . ?
F13 C24 1.351(10) . ?
C2 C3 1.357(10) . ?
C2 C1 1.374(10) . ?
C12 C11 1.360(10) . ?
C1 C6 1.392(9) . ?
C1 B1 1.611(10) . ?
F14 C25 1.352(10) . ?
F16 C28 1.348(9) . ?
C17 C19 1.538(10) . ?
C17 C20 1.543(10) . ?
C17 C18 1.545(9) . ?
C5 C6 1.356(10) . ?
C5 C4 1.374(11) . ?
C4 C3 1.374(11) . ?
F11 C22 1.336(9) . ?
C27 C28 1.354(11) . ?
C27 C32 1.386(12) . ?
C27 B2 1.618(14) . ?
F17 C29 1.345(10) . ?
C21 C26 1.356(12) . ?
C21 C22 1.373(12) . ?
C21 B2 1.614(14) . ?
F12 C23 1.327(11) . ?
F15 C26 1.340(10) . ?
C28 C29 1.375(12) . ?
C13 C16 1.521(11) . ?
C13 C15 1.534(10) . ?
C13 C14 1.579(10) . ?
F18 C30 1.336(10) . ?
F20 C32 1.350(9) . ?
F19 C31 1.344(11) . ?
C25 C24 1.339(12) . ?
C25 C26 1.388(12) . ?
C30 C31 1.352(14) . ?
C30 C29 1.356(13) . ?
C24 C23 1.321(12) . ?
C32 C31 1.353(13) . ?
C22 C23 1.397(13) . ?
C40 C37 1.510(16) . ?
C37 C38 1.466(14) . ?
C37 C39 1.519(15) . ?
C33 C36 1.322(14) . ?
C33 C34 1.403(15) . ?
C33 C35 1.76(2) . ?
