#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:32:26 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313114.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_4313114
loop_
_publ_author_name
'Sheldon G. Shore'
'Ewan J. M. Hamilton'
'Adam N. Bridges'
'Joseph Bausch'
'Jeanette A. Krause-Bauer'
'Danan Dou'
'Jianping Liu'
'Shengming Liu'
'Bin Du'
'Heather Hall'
'Edward A. Meyers'
'Karl E. Vermillion'
_publ_section_title
;
 The Solid State Structure of [B10H11]- and Its Dynamic NMR Spectra in
 Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1175
_journal_page_last               1186
_journal_paper_doi               10.1021/ic020540s
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C25 H33 B10 P'
_chemical_formula_weight         472.58
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.948(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0554(10)
_cell_length_b                   18.972(3)
_cell_length_c                   15.216(2)
_cell_measurement_reflns_used    '10 frames'
_cell_measurement_temperature    270(2)
_cell_volume                     2761.5(6)
_computing_cell_refinement       'DENZO (Otwinowsky & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO (Otwinowsky & Minor, 1997)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      270(2)
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'omega at 55/-55'
_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  0.0891
_diffrn_reflns_av_sigmaI/netI    0.1087
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18405
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.114
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_description       chunk
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.85
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.887
_refine_ls_goodness_of_fit_obs   1.087
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.887
_refine_ls_restrained_S_obs      1.087
_refine_ls_R_factor_all          0.1083
_refine_ls_R_factor_obs          0.0611
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0511P)²+0.9017P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1586
_refine_ls_wR_factor_obs         0.1414
_reflns_number_observed          3728
_reflns_number_total             6713
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic020540s_5.cif
_cod_data_source_block           '[PPh3(Benzyl][B10H11]at270K'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.9017P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.9017P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4313114
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
P1 P 0.04826(5) 0.23454(3) 0.15308(4) 0.0349(2) Uani 1 d . .
C1A C -0.0478(2) 0.30727(11) 0.08881(14) 0.0392(5) Uani 1 d . .
C2A C -0.0248(3) 0.37609(13) 0.1213(2) 0.0570(6) Uani 1 d . .
C3A C -0.0920(3) 0.4317(2) 0.0661(2) 0.0718(8) Uani 1 d . .
C4A C -0.1805(3) 0.4190(2) -0.0207(2) 0.0708(8) Uani 1 d . .
C5A C -0.2047(3) 0.3514(2) -0.0538(2) 0.0656(7) Uani 1 d . .
C6A C -0.1391(2) 0.29489(15) 0.0002(2) 0.0532(6) Uani 1 d . .
C1B C 0.1640(2) 0.20249(10) 0.09303(14) 0.0360(4) Uani 1 d . .
C2B C 0.2945(2) 0.23500(13) 0.1075(2) 0.0438(5) Uani 1 d . .
C3B C 0.3808(2) 0.2130(2) 0.0578(2) 0.0563(7) Uani 1 d . .
C4B C 0.3397(3) 0.1603(2) -0.0053(2) 0.0660(8) Uani 1 d . .
C5B C 0.2100(3) 0.1287(2) -0.0223(2) 0.0629(7) Uani 1 d . .
C6B C 0.1211(3) 0.15031(12) 0.0265(2) 0.0482(6) Uani 1 d . .
C1C C -0.0664(2) 0.16587(11) 0.16481(14) 0.0377(5) Uani 1 d . .
C2C C -0.0146(2) 0.09735(12) 0.1822(2) 0.0476(6) Uani 1 d . .
C3C C -0.0980(3) 0.04450(15) 0.1997(2) 0.0624(7) Uani 1 d . .
C4C C -0.2319(3) 0.0600(2) 0.1998(2) 0.0698(8) Uani 1 d . .
C5C C -0.2829(3) 0.1273(2) 0.1840(2) 0.0672(8) Uani 1 d . .
C6C C -0.2018(2) 0.18112(15) 0.1663(2) 0.0512(6) Uani 1 d . .
C1D C 0.1439(2) 0.26523(12) 0.26821(14) 0.0399(5) Uani 1 d . .
C2D C 0.2092(2) 0.20694(11) 0.33471(14) 0.0385(5) Uani 1 d . .
C3D C 0.3449(2) 0.18443(14) 0.3465(2) 0.0517(6) Uani 1 d . .
C4D C 0.4024(3) 0.1318(2) 0.4095(2) 0.0671(8) Uani 1 d . .
C5D C 0.3272(3) 0.1015(2) 0.4611(2) 0.0665(8) Uani 1 d . .
C6D C 0.1922(3) 0.12389(14) 0.4500(2) 0.0611(7) Uani 1 d . .
C7D C 0.1342(2) 0.17616(13) 0.3867(2) 0.0495(6) Uani 1 d . .
B1 B -0.3500(3) 0.5166(2) 0.3111(2) 0.0648(8) Uani 1 d . .
B2 B -0.4360(3) 0.4546(2) 0.3600(2) 0.0581(7) Uani 1 d . .
B3 B -0.4672(3) 0.4605(2) 0.2361(2) 0.0562(7) Uani 1 d . .
B4 B -0.2761(3) 0.4573(2) 0.2531(2) 0.0590(8) Uani 1 d . .
B5 B -0.2373(3) 0.4506(2) 0.3759(2) 0.0641(8) Uani 1 d . .
B6 B -0.3367(4) 0.3744(2) 0.3876(2) 0.0741(10) Uani 1 d . .
B7 B -0.4942(3) 0.3805(2) 0.2870(3) 0.0729(9) Uani 1 d . .
B8 B -0.3853(3) 0.3818(2) 0.2108(2) 0.0603(8) Uani 1 d . .
B9 B -0.2320(3) 0.3729(2) 0.3099(2) 0.0588(8) Uani 1 d . .
B10 B -0.3706(4) 0.3214(2) 0.2939(3) 0.0787(10) Uani 1 d . .
H2A H 0.0381(25) 0.3874(14) 0.1834(18) 0.072(8) Uiso 1 d . .
H3A H -0.0792(25) 0.4798(15) 0.0924(17) 0.074(8) Uiso 1 d . .
H4A H -0.2217(32) 0.4555(17) -0.0642(23) 0.109(11) Uiso 1 d . .
H5A H -0.2615(29) 0.3395(15) -0.1134(20) 0.084(9) Uiso 1 d . .
H6A H -0.1510(20) 0.2495(11) -0.0189(14) 0.038(6) Uiso 1 d . .
H2B H 0.3219(22) 0.2709(12) 0.1497(15) 0.051(7) Uiso 1 d . .
H3B H 0.4733(27) 0.2381(13) 0.0705(17) 0.074(8) Uiso 1 d . .
H4B H 0.3934(26) 0.1431(14) -0.0418(17) 0.071(8) Uiso 1 d . .
H5B H 0.1783(26) 0.0908(14) -0.0611(18) 0.069(8) Uiso 1 d . .
H6B H 0.0327(23) 0.1257(11) 0.0143(15) 0.054(6) Uiso 1 d . .
H2C H 0.0859(26) 0.0846(13) 0.1810(17) 0.070(7) Uiso 1 d . .
H3C H -0.0633(27) -0.0018(16) 0.2131(18) 0.081(9) Uiso 1 d . .
H4C H -0.2851(28) 0.0252(15) 0.2188(19) 0.085(9) Uiso 1 d . .
H5C H -0.3727(30) 0.1385(14) 0.1847(18) 0.080(8) Uiso 1 d . .
H6C H -0.2297(21) 0.2274(12) 0.1570(14) 0.044(6) Uiso 1 d . .
H1DA H 0.2137(22) 0.2998(12) 0.2584(14) 0.057(6) Uiso 1 d . .
H1DB H 0.0687(25) 0.2920(13) 0.2889(17) 0.072(7) Uiso 1 d . .
H7D H 0.0417(24) 0.1950(12) 0.3768(15) 0.059(7) Uiso 1 d . .
H3D H 0.3980(26) 0.2112(14) 0.3102(17) 0.072(7) Uiso 1 d . .
H4D H 0.4936(32) 0.1171(15) 0.4171(20) 0.092(9) Uiso 1 d . .
H5D H 0.3610(27) 0.0658(15) 0.5041(20) 0.078(9) Uiso 1 d . .
H6D H 0.1397(28) 0.1039(15) 0.4851(20) 0.085(9) Uiso 1 d . .
HB1A H -0.3471(34) 0.5779(19) 0.3151(23) 0.123(12) Uiso 1 d . .
HB1B H -0.3522(61) 0.5077(35) 0.3837(42) 0.240(24) Uiso 1 d . .
HB2 H -0.4931(28) 0.4734(14) 0.4110(18) 0.086(8) Uiso 1 d . .
HB3 H -0.5471(27) 0.4872(15) 0.1784(18) 0.088(8) Uiso 1 d . .
HB4 H -0.2157(28) 0.4802(14) 0.2122(18) 0.085(8) Uiso 1 d . .
HB5 H -0.1439(31) 0.4692(15) 0.4347(21) 0.098(9) Uiso 1 d . .
HB6 H -0.3231(31) 0.3549(17) 0.4544(22) 0.109(10) Uiso 1 d . .
HB7 H -0.6040(35) 0.3639(18) 0.2803(22) 0.124(11) Uiso 1 d . .
HB8 H -0.4037(27) 0.3676(14) 0.1390(20) 0.090(9) Uiso 1 d . .
HB9 H -0.1267(27) 0.3490(13) 0.3208(17) 0.078(8) Uiso 1 d . .
HB10 H -0.3806(38) 0.2581(20) 0.2925(25) 0.140(13) Uiso 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'
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
C1C P1 C1A 111.13(9) . . ?
C1C P1 C1B 110.12(9) . . ?
C1A P1 C1B 107.97(9) . . ?
C1C P1 C1D 107.71(10) . . ?
C1A P1 C1D 108.42(10) . . ?
C1B P1 C1D 111.50(10) . . ?
C2A C1A C6A 119.3(2) . . ?
C2A C1A P1 121.8(2) . . ?
C6A C1A P1 118.7(2) . . ?
C3A C2A C1A 120.1(3) . . ?
C3A C2A H2A 117.6(16) . . ?
C1A C2A H2A 122.2(15) . . ?
C4A C3A C2A 120.1(3) . . ?
C4A C3A H3A 121.2(15) . . ?
C2A C3A H3A 118.6(15) . . ?
C3A C4A C5A 120.6(3) . . ?
C3A C4A H4A 123.6(19) . . ?
C5A C4A H4A 115.5(19) . . ?
C4A C5A C6A 120.5(3) . . ?
C4A C5A H5A 124.6(18) . . ?
C6A C5A H5A 114.9(18) . . ?
C5A C6A C1A 119.5(3) . . ?
C5A C6A H6A 123.6(13) . . ?
C1A C6A H6A 116.9(13) . . ?
C6B C1B C2B 119.6(2) . . ?
C6B C1B P1 120.6(2) . . ?
C2B C1B P1 119.5(2) . . ?
C3B C2B C1B 119.8(2) . . ?
C3B C2B H2B 120.2(14) . . ?
C1B C2B H2B 120.1(14) . . ?
C4B C3B C2B 120.2(2) . . ?
C4B C3B H3B 122.9(14) . . ?
C2B C3B H3B 116.8(15) . . ?
C3B C4B C5B 120.9(2) . . ?
C3B C4B H4B 124.4(16) . . ?
C5B C4B H4B 114.7(16) . . ?
C4B C5B C6B 119.8(3) . . ?
C4B C5B H5B 125.1(16) . . ?
C6B C5B H5B 114.9(16) . . ?
C1B C6B C5B 119.6(2) . . ?
C1B C6B H6B 122.9(13) . . ?
C5B C6B H6B 117.3(13) . . ?
C2C C1C C6C 119.8(2) . . ?
C2C C1C P1 119.01(15) . . ?
C6C C1C P1 120.8(2) . . ?
C3C C2C C1C 119.9(2) . . ?
C3C C2C H2C 118.8(14) . . ?
C1C C2C H2C 121.2(14) . . ?
C4C C3C C2C 119.7(3) . . ?
C4C C3C H3C 119.6(16) . . ?
C2C C3C H3C 120.7(16) . . ?
C5C C4C C3C 120.8(2) . . ?
C5C C4C H4C 119.1(17) . . ?
C3C C4C H4C 119.6(17) . . ?
C4C C5C C6C 120.7(2) . . ?
C4C C5C H5C 121.6(17) . . ?
C6C C5C H5C 117.8(17) . . ?
C5C C6C C1C 119.1(2) . . ?
C5C C6C H6C 124.2(13) . . ?
C1C C6C H6C 116.7(13) . . ?
C2D C1D P1 113.86(15) . . ?
C2D C1D H1DA 113.5(12) . . ?
P1 C1D H1DA 104.6(12) . . ?
C2D C1D H1DB 111.3(14) . . ?
P1 C1D H1DB 103.4(13) . . ?
H1DA C1D H1DB 109.5(18) . . ?
C7D C2D C3D 119.0(2) . . ?
C7D C2D C1D 119.6(2) . . ?
C3D C2D C1D 121.4(2) . . ?
C4D C3D C2D 119.8(2) . . ?
C4D C3D H3D 124.1(14) . . ?
C2D C3D H3D 115.9(14) . . ?
C5D C4D C3D 120.8(3) . . ?
C5D C4D H4D 120.0(18) . . ?
C3D C4D H4D 119.2(18) . . ?
C4D C5D C6D 119.7(3) . . ?
C4D C5D H5D 124.1(17) . . ?
C6D C5D H5D 116.2(17) . . ?
C7D C6D C5D 119.6(3) . . ?
C7D C6D H6D 119.8(17) . . ?
C5D C6D H6D 120.6(17) . . ?
C2D C7D C6D 121.1(2) . . ?
C2D C7D H7D 115.1(14) . . ?
C6D C7D H7D 123.7(14) . . ?
B3 B1 B4 65.0(2) . . ?
B3 B1 B2 62.8(2) . . ?
B4 B1 B2 97.2(2) . . ?
B3 B1 B5 97.0(2) . . ?
B4 B1 B5 61.5(2) . . ?
B2 B1 B5 66.7(2) . . ?
B3 B1 HB1A 130.5(17) . . ?
B4 B1 HB1A 131.9(17) . . ?
B2 B1 HB1A 130.8(17) . . ?
B5 B1 HB1A 132.5(17) . . ?
B3 B1 HB1B 109.8(33) . . ?
B4 B1 HB1B 123.0(32) . . ?
B2 B1 HB1B 47.2(33) . . ?
B5 B1 HB1B 63.3(31) . . ?
HB1A B1 HB1B 96.1(36) . . ?
B1 B2 B7 112.0(2) . . ?
B1 B2 B6 110.8(2) . . ?
B7 B2 B6 61.8(2) . . ?
B1 B2 B3 57.9(2) . . ?
B7 B2 B3 58.7(2) . . ?
B6 B2 B3 101.6(2) . . ?
B1 B2 B5 57.0(2) . . ?
B7 B2 B5 100.1(2) . . ?
B6 B2 B5 57.4(2) . . ?
B3 B2 B5 88.4(2) . . ?
B1 B2 HB1B 39.8(28) . . ?
B7 B2 HB1B 148.5(28) . . ?
B6 B2 HB1B 109.1(27) . . ?
B3 B2 HB1B 97.5(28) . . ?
B5 B2 HB1B 55.7(26) . . ?
B1 B2 HB2 119.4(14) . . ?
B7 B2 HB2 121.9(14) . . ?
B6 B2 HB2 117.3(13) . . ?
B3 B2 HB2 135.7(13) . . ?
B5 B2 HB2 129.4(13) . . ?
HB1B B2 HB2 89.4(30) . . ?
B1 B3 B7 114.0(2) . . ?
B1 B3 B8 112.8(2) . . ?
B7 B3 B8 61.5(2) . . ?
B1 B3 B2 59.3(2) . . ?
B7 B3 B2 59.5(2) . . ?
B8 B3 B2 103.1(2) . . ?
B1 B3 B4 57.6(2) . . ?
B7 B3 B4 101.7(2) . . ?
B8 B3 B4 58.8(2) . . ?
B2 B3 B4 90.8(2) . . ?
B1 B3 HB3 114.8(14) . . ?
B7 B3 HB3 124.6(14) . . ?
B8 B3 HB3 118.3(14) . . ?
B2 B3 HB3 134.3(13) . . ?
B4 B3 HB3 126.1(13) . . ?
B1 B4 B5 60.3(2) . . ?
B1 B4 B8 112.9(2) . . ?
B5 B4 B8 103.3(2) . . ?
B1 B4 B9 114.4(2) . . ?
B5 B4 B9 59.8(2) . . ?
B8 B4 B9 60.0(2) . . ?
B1 B4 B3 57.5(2) . . ?
B5 B4 B3 91.8(2) . . ?
B8 B4 B3 59.0(2) . . ?
B9 B4 B3 100.7(2) . . ?
B1 B4 HB4 115.8(15) . . ?
B5 B4 HB4 130.2(14) . . ?
B8 B4 HB4 120.1(14) . . ?
B9 B4 HB4 122.1(15) . . ?
B3 B4 HB4 130.0(14) . . ?
B1 B5 B4 58.2(2) . . ?
B1 B5 B9 113.2(2) . . ?
B4 B5 B9 60.6(2) . . ?
B1 B5 B6 110.1(2) . . ?
B4 B5 B6 102.2(2) . . ?
B9 B5 B6 60.5(2) . . ?
B1 B5 B2 56.3(2) . . ?
B4 B5 B2 89.0(2) . . ?
B9 B5 B2 99.7(2) . . ?
B6 B5 B2 57.3(2) . . ?
B1 B5 HB1B 38.5(22) . . ?
B4 B5 HB1B 95.7(22) . . ?
B9 B5 HB1B 137.5(22) . . ?
B6 B5 HB1B 95.7(24) . . ?
B2 B5 HB1B 41.4(23) . . ?
B1 B5 HB5 116.8(15) . . ?
B4 B5 HB5 131.4(15) . . ?
B9 B5 HB5 122.4(15) . . ?
B6 B5 HB5 121.5(15) . . ?
B2 B5 HB5 131.0(15) . . ?
HB1B B5 HB5 99.8(25) . . ?
B10 B6 B2 110.7(3) . . ?
B10 B6 B5 111.6(2) . . ?
B2 B6 B5 65.3(2) . . ?
B10 B6 B9 56.4(2) . . ?
B2 B6 B9 104.7(2) . . ?
B5 B6 B9 59.6(2) . . ?
B10 B6 B7 55.7(2) . . ?
B2 B6 B7 58.5(2) . . ?
B5 B6 B7 103.3(2) . . ?
B9 B6 B7 89.0(2) . . ?
B10 B6 HB6 122.6(18) . . ?
B2 B6 HB6 114.9(17) . . ?
B5 B6 HB6 118.0(18) . . ?
B9 B6 HB6 134.3(17) . . ?
B7 B6 HB6 130.6(17) . . ?
B10 B7 B3 113.4(2) . . ?
B10 B7 B2 113.7(2) . . ?
B3 B7 B2 61.8(2) . . ?
B10 B7 B8 57.5(2) . . ?
B3 B7 B8 60.3(2) . . ?
B2 B7 B8 103.9(2) . . ?
B10 B7 B6 57.7(2) . . ?
B3 B7 B6 102.1(2) . . ?
B2 B7 B6 59.7(2) . . ?
B8 B7 B6 90.0(2) . . ?
B10 B7 HB7 121.0(18) . . ?
B3 B7 HB7 118.8(18) . . ?
B2 B7 HB7 113.8(17) . . ?
B8 B7 HB7 135.4(17) . . ?
B6 B7 HB7 129.1(17) . . ?
B10 B8 B4 111.8(2) . . ?
B10 B8 B9 56.7(2) . . ?
B4 B8 B9 60.3(2) . . ?
B10 B8 B3 110.1(2) . . ?
B4 B8 B3 62.1(2) . . ?
B9 B8 B3 103.1(2) . . ?
B10 B8 B7 56.1(2) . . ?
B4 B8 B7 101.7(2) . . ?
B9 B8 B7 89.6(2) . . ?
B3 B8 B7 58.2(2) . . ?
B10 B8 HB8 122.5(15) . . ?
B4 B8 HB8 117.0(15) . . ?
B9 B8 HB8 131.0(14) . . ?
B3 B8 HB8 118.3(14) . . ?
B7 B8 HB8 133.5(14) . . ?
B10 B9 B5 113.5(2) . . ?
B10 B9 B8 57.9(2) . . ?
B5 B9 B8 103.1(2) . . ?
B10 B9 B4 112.4(2) . . ?
B5 B9 B4 59.6(2) . . ?
B8 B9 B4 59.8(2) . . ?
B10 B9 B6 58.2(2) . . ?
B5 B9 B6 59.9(2) . . ?
B8 B9 B6 91.5(2) . . ?
B4 B9 B6 101.1(2) . . ?
B10 B9 HB9 119.8(13) . . ?
B5 B9 HB9 116.2(13) . . ?
B8 B9 HB9 133.6(13) . . ?
B4 B9 HB9 120.8(13) . . ?
B6 B9 HB9 128.8(13) . . ?
B7 B10 B9 101.0(2) . . ?
B7 B10 B8 66.3(2) . . ?
B9 B10 B8 65.4(2) . . ?
B7 B10 B6 66.6(2) . . ?
B9 B10 B6 65.4(2) . . ?
B8 B10 B6 100.2(2) . . ?
B7 B10 HB10 128.2(18) . . ?
B9 B10 HB10 130.7(18) . . ?
B8 B10 HB10 132.8(18) . . ?
B6 B10 HB10 127.0(18) . . ?
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 C1C 1.784(2) . ?
P1 C1A 1.792(2) . ?
P1 C1B 1.793(2) . ?
P1 C1D 1.815(2) . ?
C1A C2A 1.390(3) . ?
C1A C6A 1.397(3) . ?
C2A C3A 1.387(4) . ?
C2A H2A 0.99(3) . ?
C3A C4A 1.368(4) . ?
C3A H3A 0.99(3) . ?
C4A C5A 1.371(4) . ?
C4A H4A 0.96(3) . ?
C5A C6A 1.388(3) . ?
C5A H5A 0.94(3) . ?
C6A H6A 0.90(2) . ?
C1B C6B 1.386(3) . ?
C1B C2B 1.404(3) . ?
C2B C3B 1.380(3) . ?
C2B H2B 0.92(2) . ?
C3B C4B 1.360(4) . ?
C3B H3B 1.01(3) . ?
C4B C5B 1.386(4) . ?
C4B H4B 0.94(3) . ?
C5B C6B 1.388(3) . ?
C5B H5B 0.92(3) . ?
C6B H6B 0.97(2) . ?
C1C C2C 1.395(3) . ?
C1C C6C 1.399(3) . ?
C2C C3C 1.384(3) . ?
C2C H2C 1.04(2) . ?
C3C C4C 1.378(4) . ?
C3C H3C 0.94(3) . ?
C4C C5C 1.369(4) . ?
C4C H4C 0.95(3) . ?
C5C C6C 1.384(3) . ?
C5C H5C 0.93(3) . ?
C6C H6C 0.92(2) . ?
C1D C2D 1.506(3) . ?
C1D H1DA 1.00(2) . ?
C1D H1DB 1.04(2) . ?
C2D C7D 1.380(3) . ?
C2D C3D 1.388(3) . ?
C3D C4D 1.382(3) . ?
C3D H3D 1.02(3) . ?
C4D C5D 1.372(4) . ?
C4D H4D 0.93(3) . ?
C5D C6D 1.382(4) . ?
C5D H5D 0.93(3) . ?
C6D C7D 1.380(3) . ?
C6D H6D 0.94(3) . ?
C7D H7D 0.96(2) . ?
B1 B3 1.730(4) . ?
B1 B4 1.731(4) . ?
B1 B2 1.756(5) . ?
B1 B5 1.769(5) . ?
B1 HB1A 1.17(4) . ?
B1 HB1B 1.12(6) . ?
B2 B7 1.776(5) . ?
B2 B6 1.797(4) . ?
B2 B3 1.817(4) . ?
B2 B5 1.939(4) . ?
B2 HB1B 1.29(6) . ?
B2 HB2 1.15(3) . ?
B3 B7 1.763(5) . ?
B3 B8 1.803(4) . ?
B3 B4 1.859(4) . ?
B3 HB3 1.11(3) . ?
B4 B5 1.790(5) . ?
B4 B8 1.799(4) . ?
B4 B9 1.808(4) . ?
B4 HB4 1.09(3) . ?
B5 B9 1.793(4) . ?
B5 B6 1.799(5) . ?
B5 HB1B 1.61(6) . ?
B5 HB5 1.14(3) . ?
B6 B10 1.692(5) . ?
B6 B9 1.810(4) . ?
B6 B7 1.836(5) . ?
B6 HB6 1.05(3) . ?
B7 B10 1.653(5) . ?
B7 B8 1.823(5) . ?
B7 HB7 1.12(3) . ?
B8 B10 1.680(5) . ?
B8 B9 1.802(4) . ?
B8 HB8 1.08(3) . ?
B9 B10 1.658(5) . ?
B9 HB9 1.12(3) . ?
B10 HB10 1.20(4) . ?
