#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:32:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313110.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_4313110
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                 107.916(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.988(2)
_cell_length_b                   18.860(2)
_cell_length_c                   15.072(2)
_cell_measurement_reflns_used    '10 frames'
_cell_measurement_temperature    150(2)
_cell_volume                     2701.5(7)
_computing_cell_refinement       'DENZO (Otwinowsky & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'DENZO (Otwinowsky & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18341
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.116
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.162
_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         0.347
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.024
_refine_ls_goodness_of_fit_obs   1.043
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6646
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_restrained_S_obs      1.043
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_obs          0.0399
_refine_ls_shift/esd_max         0.002
_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         0.1065
_refine_ls_wR_factor_obs         0.0966
_reflns_number_observed          5400
_reflns_number_total             6647
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic020540s_1.cif
_cod_data_source_block           '[PPh3(Benzyl)][B10H11]at150K'
_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               4313110
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 0.04979(3) 0.23549(2) 0.15412(2) 0.01833(9) Uani 1 d . .
C1A C -0.04733(13) 0.30887(7) 0.08964(9) 0.0219(3) Uani 1 d . .
C2A C -0.0224(2) 0.37812(7) 0.12388(11) 0.0299(3) Uani 1 d . .
C3A C -0.0886(2) 0.43473(8) 0.06865(12) 0.0361(3) Uani 1 d . .
C4A C -0.1782(2) 0.42270(9) -0.01995(12) 0.0362(3) Uani 1 d . .
C5A C -0.2043(2) 0.35400(9) -0.05417(11) 0.0347(3) Uani 1 d . .
C6A C -0.13943(14) 0.29671(8) 0.00022(10) 0.0275(3) Uani 1 d . .
C1B C 0.16797(12) 0.20419(7) 0.09404(9) 0.0200(2) Uani 1 d . .
C2B C 0.29983(13) 0.23687(7) 0.11087(9) 0.0227(3) Uani 1 d . .
C3B C 0.38878(14) 0.21535(8) 0.06096(10) 0.0292(3) Uani 1 d . .
C4B C 0.3480(2) 0.16171(8) -0.00464(11) 0.0334(3) Uani 1 d . .
C5B C 0.2164(2) 0.13026(8) -0.02274(10) 0.0318(3) Uani 1 d . .
C6B C 0.12540(15) 0.15170(7) 0.02577(9) 0.0259(3) Uani 1 d . .
C1C C -0.06527(12) 0.16558(7) 0.16484(9) 0.0209(2) Uani 1 d . .
C2C C -0.01230(14) 0.09665(7) 0.18101(10) 0.0263(3) Uani 1 d . .
C3C C -0.0959(2) 0.04276(8) 0.19818(11) 0.0327(3) Uani 1 d . .
C4C C -0.2308(2) 0.05785(9) 0.20024(11) 0.0361(3) Uani 1 d . .
C5C C -0.28291(15) 0.12628(9) 0.18556(11) 0.0349(3) Uani 1 d . .
C6C C -0.20116(14) 0.18095(8) 0.16792(10) 0.0270(3) Uani 1 d . .
C1D C 0.14534(13) 0.26606(7) 0.27065(9) 0.0219(3) Uani 1 d . .
C2D C 0.21136(13) 0.20676(7) 0.33726(9) 0.0209(2) Uani 1 d . .
C3D C 0.34902(14) 0.18467(8) 0.34951(10) 0.0271(3) Uani 1 d . .
C4D C 0.4079(2) 0.13129(9) 0.41299(11) 0.0344(3) Uani 1 d . .
C5D C 0.3307(2) 0.10003(8) 0.46497(11) 0.0347(3) Uani 1 d . .
C6D C 0.1944(2) 0.12215(8) 0.45341(10) 0.0321(3) Uani 1 d . .
C7D C 0.13437(14) 0.17494(8) 0.38954(9) 0.0264(3) Uani 1 d . .
B1 B -0.3498(2) 0.52049(9) 0.31087(12) 0.0284(3) Uani 1 d . .
B2 B -0.4352(2) 0.45701(9) 0.36298(11) 0.0267(3) Uani 1 d . .
B3 B -0.4675(2) 0.46259(9) 0.23850(11) 0.0274(3) Uani 1 d . .
B4 B -0.2733(2) 0.46074(9) 0.25394(12) 0.0290(3) Uani 1 d . .
B5 B -0.2310(2) 0.45485(9) 0.37790(12) 0.0309(3) Uani 1 d . .
B6 B -0.3289(2) 0.37686(9) 0.39195(12) 0.0336(4) Uani 1 d . .
B7 B -0.4904(2) 0.37996(9) 0.28995(13) 0.0336(4) Uani 1 d . .
B8 B -0.3826(2) 0.38361(9) 0.21183(11) 0.0283(3) Uani 1 d . .
B9 B -0.2236(2) 0.37657(9) 0.31070(11) 0.0300(3) Uani 1 d . .
B10 B -0.3609(2) 0.32147(10) 0.29761(14) 0.0380(4) Uani 1 d . .
H2A H 0.0432(18) 0.3881(9) 0.1885(12) 0.037(4) Uiso 1 d . .
H3A H -0.0721(18) 0.4821(10) 0.0922(12) 0.043(5) Uiso 1 d . .
H4A H -0.2212(20) 0.4618(10) -0.0589(13) 0.047(5) Uiso 1 d . .
H5A H -0.2672(20) 0.3449(10) -0.1156(13) 0.047(5) Uiso 1 d . .
H6A H -0.1565(16) 0.2492(8) -0.0219(11) 0.026(4) Uiso 1 d . .
H2B H 0.3280(17) 0.2742(9) 0.1549(11) 0.029(4) Uiso 1 d . .
H3B H 0.4800(20) 0.2407(9) 0.0740(13) 0.042(5) Uiso 1 d . .
H4B H 0.4119(19) 0.1464(10) -0.0379(13) 0.043(5) Uiso 1 d . .
H5B H 0.1898(19) 0.0933(10) -0.0653(13) 0.045(5) Uiso 1 d . .
H6B H 0.0343(17) 0.1298(9) 0.0124(11) 0.032(4) Uiso 1 d . .
H2C H 0.0825(17) 0.0859(8) 0.1811(11) 0.030(4) Uiso 1 d . .
H3C H -0.0600(18) -0.0061(10) 0.2088(12) 0.039(5) Uiso 1 d . .
H4C H -0.2881(19) 0.0200(10) 0.2123(13) 0.046(5) Uiso 1 d . .
H5C H -0.3755(21) 0.1367(10) 0.1899(13) 0.049(5) Uiso 1 d . .
H6C H -0.2352(16) 0.2299(9) 0.1600(11) 0.028(4) Uiso 1 d . .
H1DA H 0.2155(16) 0.3004(9) 0.2640(11) 0.029(4) Uiso 1 d . .
H1DB H 0.0717(17) 0.2922(9) 0.2909(11) 0.033(4) Uiso 1 d . .
H7D H 0.0376(18) 0.1907(9) 0.3829(11) 0.033(4) Uiso 1 d . .
H3D H 0.4040(17) 0.2086(9) 0.3149(12) 0.034(4) Uiso 1 d . .
H4D H 0.5013(21) 0.1183(10) 0.4211(13) 0.050(5) Uiso 1 d . .
H5D H 0.3738(19) 0.0643(10) 0.5088(13) 0.046(5) Uiso 1 d . .
H6D H 0.1391(19) 0.1009(10) 0.4907(13) 0.042(5) Uiso 1 d . .
HB1A H -0.3453(20) 0.5786(11) 0.3095(13) 0.051(5) Uiso 1 d . .
HB1B H -0.3345(28) 0.5108(15) 0.3921(19) 0.096(8) Uiso 1 d . .
HB2 H -0.4919(17) 0.4740(9) 0.4134(11) 0.033(4) Uiso 1 d . .
HB3 H -0.5558(19) 0.4876(10) 0.1841(12) 0.044(5) Uiso 1 d . .
HB4 H -0.2148(19) 0.4843(10) 0.2097(13) 0.044(5) Uiso 1 d . .
HB5 H -0.1393(20) 0.4725(10) 0.4375(13) 0.048(5) Uiso 1 d . .
HB6 H -0.3139(20) 0.3539(10) 0.4605(14) 0.053(5) Uiso 1 d . .
HB7 H -0.6026(20) 0.3631(10) 0.2787(13) 0.051(5) Uiso 1 d . .
HB8 H -0.4038(18) 0.3684(9) 0.1379(13) 0.043(5) Uiso 1 d . .
HB9 H -0.1134(19) 0.3565(9) 0.3186(12) 0.043(5) Uiso 1 d . .
HB10 H -0.3651(22) 0.2634(12) 0.2940(15) 0.064(6) 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 C1B 110.11(6) . . ?
C1C P1 C1A 111.23(6) . . ?
C1B P1 C1A 108.07(6) . . ?
C1C P1 C1D 107.93(6) . . ?
C1B P1 C1D 111.16(6) . . ?
C1A P1 C1D 108.34(6) . . ?
C6A C1A C2A 119.92(12) . . ?
C6A C1A P1 118.79(10) . . ?
C2A C1A P1 121.02(10) . . ?
C3A C2A C1A 119.91(14) . . ?
C3A C2A H2A 118.8(10) . . ?
C1A C2A H2A 121.2(10) . . ?
C4A C3A C2A 120.08(15) . . ?
C4A C3A H3A 120.0(11) . . ?
C2A C3A H3A 119.9(11) . . ?
C3A C4A C5A 120.32(14) . . ?
C3A C4A H4A 120.2(11) . . ?
C5A C4A H4A 119.5(11) . . ?
C4A C5A C6A 120.38(15) . . ?
C4A C5A H5A 121.1(12) . . ?
C6A C5A H5A 118.5(12) . . ?
C5A C6A C1A 119.37(14) . . ?
C5A C6A H6A 121.6(10) . . ?
C1A C6A H6A 119.0(10) . . ?
C6B C1B C2B 120.01(12) . . ?
C6B C1B P1 120.44(10) . . ?
C2B C1B P1 119.36(10) . . ?
C3B C2B C1B 119.62(13) . . ?
C3B C2B H2B 119.6(10) . . ?
C1B C2B H2B 120.8(10) . . ?
C4B C3B C2B 120.22(13) . . ?
C4B C3B H3B 122.8(11) . . ?
C2B C3B H3B 116.9(11) . . ?
C3B C4B C5B 120.26(13) . . ?
C3B C4B H4B 119.5(11) . . ?
C5B C4B H4B 120.3(11) . . ?
C4B C5B C6B 120.29(14) . . ?
C4B C5B H5B 120.5(11) . . ?
C6B C5B H5B 119.1(12) . . ?
C5B C6B C1B 119.56(13) . . ?
C5B C6B H6B 119.6(10) . . ?
C1B C6B H6B 120.8(10) . . ?
C2C C1C C6C 120.35(12) . . ?
C2C C1C P1 118.85(9) . . ?
C6C C1C P1 120.38(10) . . ?
C3C C2C C1C 119.75(13) . . ?
C3C C2C H2C 119.4(10) . . ?
C1C C2C H2C 120.8(10) . . ?
C4C C3C C2C 119.87(14) . . ?
C4C C3C H3C 119.8(10) . . ?
C2C C3C H3C 120.3(10) . . ?
C5C C4C C3C 120.53(14) . . ?
C5C C4C H4C 120.2(11) . . ?
C3C C4C H4C 119.2(11) . . ?
C4C C5C C6C 120.53(13) . . ?
C4C C5C H5C 119.9(11) . . ?
C6C C5C H5C 119.5(11) . . ?
C5C C6C C1C 118.95(14) . . ?
C5C C6C H6C 121.4(9) . . ?
C1C C6C H6C 119.7(9) . . ?
C2D C1D P1 113.55(9) . . ?
C2D C1D H1DA 112.1(9) . . ?
P1 C1D H1DA 106.8(9) . . ?
C2D C1D H1DB 111.7(9) . . ?
P1 C1D H1DB 103.5(9) . . ?
H1DA C1D H1DB 108.6(13) . . ?
C3D C2D C7D 119.31(13) . . ?
C3D C2D C1D 121.34(11) . . ?
C7D C2D C1D 119.33(11) . . ?
C4D C3D C2D 119.95(13) . . ?
C4D C3D H3D 121.0(10) . . ?
C2D C3D H3D 119.0(10) . . ?
C5D C4D C3D 120.40(14) . . ?
C5D C4D H4D 121.3(12) . . ?
C3D C4D H4D 118.3(12) . . ?
C6D C5D C4D 119.80(14) . . ?
C6D C5D H5D 121.3(11) . . ?
C4D C5D H5D 118.9(11) . . ?
C5D C6D C7D 120.16(13) . . ?
C5D C6D H6D 120.5(11) . . ?
C7D C6D H6D 119.4(11) . . ?
C6D C7D C2D 120.38(13) . . ?
C6D C7D H7D 119.2(10) . . ?
C2D C7D H7D 120.4(10) . . ?
B3 B1 B4 65.97(10) . . ?
B3 B1 B2 61.90(9) . . ?
B4 B1 B2 97.18(11) . . ?
B3 B1 B5 97.08(11) . . ?
B4 B1 B5 60.91(10) . . ?
B2 B1 B5 67.22(10) . . ?
B3 B1 HB1A 130.1(10) . . ?
B4 B1 HB1A 127.9(10) . . ?
B2 B1 HB1A 134.9(10) . . ?
B5 B1 HB1A 132.5(10) . . ?
B3 B1 HB1B 113.4(13) . . ?
B4 B1 HB1B 118.1(13) . . ?
B2 B1 HB1B 51.5(13) . . ?
B5 B1 HB1B 57.8(13) . . ?
HB1A B1 HB1B 100.2(17) . . ?
B1 B2 B7 111.67(11) . . ?
B1 B2 B3 57.38(9) . . ?
B7 B2 B3 59.32(9) . . ?
B1 B2 B6 109.86(11) . . ?
B7 B2 B6 61.57(10) . . ?
B3 B2 B6 101.66(11) . . ?
B1 B2 B5 56.61(9) . . ?
B7 B2 B5 99.40(10) . . ?
B3 B2 B5 88.14(10) . . ?
B6 B2 B5 56.79(9) . . ?
B1 B2 HB1B 42.1(11) . . ?
B7 B2 HB1B 146.1(11) . . ?
B3 B2 HB1B 99.5(11) . . ?
B6 B2 HB1B 102.5(11) . . ?
B5 B2 HB1B 50.6(11) . . ?
B1 B2 HB2 120.9(8) . . ?
B7 B2 HB2 121.3(8) . . ?
B3 B2 HB2 136.0(8) . . ?
B6 B2 HB2 116.9(8) . . ?
B5 B2 HB2 130.0(8) . . ?
HB1B B2 HB2 92.5(14) . . ?
B1 B3 B7 115.54(12) . . ?
B1 B3 B2 60.72(9) . . ?
B7 B3 B2 60.27(9) . . ?
B1 B3 B8 112.64(11) . . ?
B7 B3 B8 60.81(9) . . ?
B2 B3 B8 103.62(11) . . ?
B1 B3 B4 57.14(9) . . ?
B7 B3 B4 101.25(11) . . ?
B2 B3 B4 91.30(10) . . ?
B8 B3 B4 58.62(9) . . ?
B1 B3 HB3 115.5(10) . . ?
B7 B3 HB3 120.9(9) . . ?
B2 B3 HB3 129.8(9) . . ?
B8 B3 HB3 120.3(9) . . ?
B4 B3 HB3 130.9(9) . . ?
B1 B4 B5 61.36(10) . . ?
B1 B4 B9 115.99(12) . . ?
B5 B4 B9 60.41(9) . . ?
B1 B4 B8 112.74(11) . . ?
B5 B4 B8 103.86(11) . . ?
B9 B4 B8 60.43(9) . . ?
B1 B4 B3 56.89(9) . . ?
B5 B4 B3 91.94(10) . . ?
B9 B4 B3 101.44(11) . . ?
B8 B4 B3 58.98(9) . . ?
B1 B4 HB4 115.7(9) . . ?
B5 B4 HB4 131.0(9) . . ?
B9 B4 HB4 121.4(9) . . ?
B8 B4 HB4 119.0(9) . . ?
B3 B4 HB4 129.3(9) . . ?
B4 B5 B1 57.73(9) . . ?
B4 B5 B9 60.11(9) . . ?
B1 B5 B9 112.47(11) . . ?
B4 B5 B6 102.10(11) . . ?
B1 B5 B6 109.75(11) . . ?
B9 B5 B6 61.23(10) . . ?
B4 B5 B2 88.61(9) . . ?
B1 B5 B2 56.17(8) . . ?
B9 B5 B2 99.86(10) . . ?
B6 B5 B2 57.12(9) . . ?
B4 B5 HB1B 98.6(10) . . ?
B1 B5 HB1B 41.3(10) . . ?
B9 B5 HB1B 141.7(10) . . ?
B6 B5 HB1B 97.5(10) . . ?
B2 B5 HB1B 44.7(10) . . ?
B4 B5 HB5 133.9(10) . . ?
B1 B5 HB5 118.9(10) . . ?
B9 B5 HB5 122.0(10) . . ?
B6 B5 HB5 119.0(10) . . ?
B2 B5 HB5 130.1(10) . . ?
HB1B B5 HB5 95.9(14) . . ?
B10 B6 B5 111.53(12) . . ?
B10 B6 B2 111.15(13) . . ?
B5 B6 B2 66.08(9) . . ?
B10 B6 B9 56.34(10) . . ?
B5 B6 B9 59.12(9) . . ?
B2 B6 B9 104.64(11) . . ?
B10 B6 B7 55.87(10) . . ?
B5 B6 B7 103.89(11) . . ?
B2 B6 B7 58.75(9) . . ?
B9 B6 B7 88.72(10) . . ?
B10 B6 HB6 118.8(10) . . ?
B5 B6 HB6 120.8(10) . . ?
B2 B6 HB6 117.3(10) . . ?
B9 B6 HB6 133.6(10) . . ?
B7 B6 HB6 129.1(10) . . ?
B10 B7 B3 113.87(12) . . ?
B10 B7 B2 113.80(13) . . ?
B3 B7 B2 60.41(9) . . ?
B10 B7 B8 58.23(10) . . ?
B3 B7 B8 60.47(9) . . ?
B2 B7 B8 103.48(11) . . ?
B10 B7 B6 57.77(10) . . ?
B3 B7 B6 101.09(11) . . ?
B2 B7 B6 59.68(9) . . ?
B8 B7 B6 90.04(10) . . ?
B10 B7 HB7 122.3(10) . . ?
B3 B7 HB7 115.9(10) . . ?
B2 B7 HB7 115.0(10) . . ?
B8 B7 HB7 132.1(10) . . ?
B6 B7 HB7 133.3(10) . . ?
B10 B8 B4 111.29(12) . . ?
B10 B8 B9 56.91(10) . . ?
B4 B8 B9 59.43(9) . . ?
B10 B8 B3 110.71(12) . . ?
B4 B8 B3 62.39(9) . . ?
B9 B8 B3 103.15(11) . . ?
B10 B8 B7 56.53(10) . . ?
B4 B8 B7 102.45(11) . . ?
B9 B8 B7 90.47(11) . . ?
B3 B8 B7 58.72(9) . . ?
B10 B8 HB8 121.6(9) . . ?
B4 B8 HB8 118.0(9) . . ?
B9 B8 HB8 131.0(9) . . ?
B3 B8 HB8 118.5(9) . . ?
B7 B8 HB8 132.2(9) . . ?
B10 B9 B4 113.17(12) . . ?
B10 B9 B5 113.50(12) . . ?
B4 B9 B5 59.48(9) . . ?
B10 B9 B8 58.29(10) . . ?
B4 B9 B8 60.13(9) . . ?
B5 B9 B8 102.96(11) . . ?
B10 B9 B6 57.93(10) . . ?
B4 B9 B6 100.54(10) . . ?
B5 B9 B6 59.65(9) . . ?
B8 B9 B6 90.67(11) . . ?
B10 B9 HB9 122.4(9) . . ?
B4 B9 HB9 117.4(9) . . ?
B5 B9 HB9 114.8(9) . . ?
B8 B9 HB9 133.2(9) . . ?
B6 B9 HB9 131.6(9) . . ?
B7 B10 B9 100.67(12) . . ?
B7 B10 B8 65.24(11) . . ?
B9 B10 B8 64.80(10) . . ?
B7 B10 B6 66.36(11) . . ?
B9 B10 B6 65.73(11) . . ?
B8 B10 B6 99.07(12) . . ?
B7 B10 HB10 129.5(11) . . ?
B9 B10 HB10 129.8(11) . . ?
B8 B10 HB10 130.8(11) . . ?
B6 B10 HB10 130.1(11) . . ?
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 1.7888(13) . ?
P1 C1B 1.7942(13) . ?
P1 C1A 1.7947(13) . ?
P1 C1D 1.8157(13) . ?
C1A C6A 1.397(2) . ?
C1A C2A 1.398(2) . ?
C2A C3A 1.390(2) . ?
C2A H2A 1.01(2) . ?
C3A C4A 1.379(2) . ?
C3A H3A 0.96(2) . ?
C4A C5A 1.389(2) . ?
C4A H4A 0.96(2) . ?
C5A C6A 1.390(2) . ?
C5A H5A 0.96(2) . ?
C6A H6A 0.95(2) . ?
C1B C6B 1.397(2) . ?
C1B C2B 1.405(2) . ?
C2B C3B 1.390(2) . ?
C2B H2B 0.95(2) . ?
C3B C4B 1.385(2) . ?
C3B H3B 0.99(2) . ?
C4B C5B 1.390(2) . ?
C4B H4B 0.97(2) . ?
C5B C6B 1.391(2) . ?
C5B H5B 0.93(2) . ?
C6B H6B 0.96(2) . ?
C1C C2C 1.396(2) . ?
C1C C6C 1.402(2) . ?
C2C C3C 1.389(2) . ?
C2C H2C 0.97(2) . ?
C3C C4C 1.387(2) . ?
C3C H3C 0.98(2) . ?
C4C C5C 1.384(2) . ?
C4C H4C 0.97(2) . ?
C5C C6C 1.391(2) . ?
C5C H5C 0.97(2) . ?
C6C H6C 0.98(2) . ?
C1D C2D 1.512(2) . ?
C1D H1DA 0.98(2) . ?
C1D H1DB 1.01(2) . ?
C2D C3D 1.393(2) . ?
C2D C7D 1.395(2) . ?
C3D C4D 1.389(2) . ?
C3D H3D 0.98(2) . ?
C4D C5D 1.388(2) . ?
C4D H4D 0.94(2) . ?
C5D C6D 1.383(2) . ?
C5D H5D 0.95(2) . ?
C6D C7D 1.386(2) . ?
C6D H6D 0.99(2) . ?
C7D H7D 0.99(2) . ?
B1 B3 1.725(2) . ?
B1 B4 1.730(2) . ?
B1 B2 1.786(2) . ?
B1 B5 1.795(2) . ?
B1 HB1A 1.10(2) . ?
B1 HB1B 1.20(3) . ?
B2 B7 1.804(2) . ?
B2 B3 1.806(2) . ?
B2 B6 1.821(2) . ?
B2 B5 1.983(2) . ?
B2 HB1B 1.40(3) . ?
B2 HB2 1.13(2) . ?
B3 B7 1.787(2) . ?
B3 B8 1.819(2) . ?
B3 B4 1.881(2) . ?
B3 HB3 1.11(2) . ?
B4 B5 1.788(2) . ?
B4 B9 1.799(2) . ?
B4 B8 1.812(2) . ?
B4 HB4 1.11(2) . ?
B5 B9 1.805(2) . ?
B5 B6 1.815(3) . ?
B5 HB1B 1.54(3) . ?
B5 HB5 1.12(2) . ?
B6 B10 1.713(3) . ?
B6 B9 1.843(2) . ?
B6 B7 1.855(3) . ?
B6 HB6 1.09(2) . ?
B7 B10 1.677(3) . ?
B7 B8 1.825(2) . ?
B7 HB7 1.13(2) . ?
B8 B10 1.709(3) . ?
B8 B9 1.817(2) . ?
B8 HB8 1.11(2) . ?
B9 B10 1.683(3) . ?
B9 HB9 1.14(2) . ?
B10 HB10 1.10(2) . ?
