#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:32:26 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313115.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_4313115
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                 107.952(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.067(5)
_cell_length_b                   19.009(9)
_cell_length_c                   15.247(7)
_cell_measurement_reflns_used    '10 frames'
_cell_measurement_temperature    297(2)
_cell_volume                     2776(2)
_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      297(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  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18732
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    0.113
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.131
_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         0.282
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.115
_refine_ls_goodness_of_fit_obs   1.233
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_restrained_S_obs      1.233
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_obs          0.0565
_refine_ls_shift/esd_max         -0.001
_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         0.1564
_refine_ls_wR_factor_obs         0.1336
_reflns_number_observed          4252
_reflns_number_total             6866
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic020540s_6.cif
_cod_data_source_block           '[PPh3(Benzyl)][B10H11]at297K'
_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_original_cell_volume        2775.5(23)
_cod_database_code               4313115
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 0.04803(5) 0.23444(2) 0.15294(3) 0.03919(15) Uani 1 d . .
C1A C -0.0480(2) 0.30675(10) 0.08824(13) 0.0452(4) Uani 1 d . .
C2A C -0.0251(3) 0.37558(11) 0.1209(2) 0.0648(6) Uani 1 d . .
C3A C -0.0922(3) 0.43077(14) 0.0658(2) 0.0795(8) Uani 1 d . .
C4A C -0.1802(3) 0.4183(2) -0.0205(2) 0.0791(8) Uani 1 d . .
C5A C -0.2040(3) 0.3509(2) -0.0535(2) 0.0755(7) Uani 1 d . .
C6A C -0.1386(2) 0.29441(14) 0.0004(2) 0.0585(5) Uani 1 d . .
C1B C 0.1631(2) 0.20243(10) 0.09298(12) 0.0413(4) Uani 1 d . .
C2B C 0.2928(2) 0.23420(12) 0.10698(14) 0.0500(5) Uani 1 d . .
C3B C 0.3789(3) 0.21259(15) 0.0576(2) 0.0643(6) Uani 1 d . .
C4B C 0.3370(3) 0.1594(2) -0.0056(2) 0.0746(8) Uani 1 d . .
C5B C 0.2089(3) 0.12844(15) -0.0216(2) 0.0709(7) Uani 1 d . .
C6B C 0.1200(3) 0.14965(12) 0.02687(14) 0.0547(5) Uani 1 d . .
C1C C -0.0668(2) 0.16595(10) 0.16491(12) 0.0431(4) Uani 1 d . .
C2C C -0.0159(2) 0.09769(11) 0.18274(15) 0.0543(5) Uani 1 d . .
C3C C -0.0988(3) 0.04561(14) 0.2005(2) 0.0705(7) Uani 1 d . .
C4C C -0.2320(3) 0.0607(2) 0.2000(2) 0.0791(8) Uani 1 d . .
C5C C -0.2831(3) 0.1281(2) 0.1837(2) 0.0773(8) Uani 1 d . .
C6C C -0.2015(2) 0.18168(14) 0.1658(2) 0.0577(6) Uani 1 d . .
C1D C 0.1442(2) 0.26520(11) 0.26758(13) 0.0459(4) Uani 1 d . .
C2D C 0.2092(2) 0.20690(10) 0.33406(12) 0.0428(4) Uani 1 d . .
C3D C 0.3434(2) 0.18407(12) 0.3456(2) 0.0581(5) Uani 1 d . .
C4D C 0.4007(3) 0.1316(2) 0.4085(2) 0.0773(8) Uani 1 d . .
C5D C 0.3251(3) 0.10183(15) 0.4603(2) 0.0767(8) Uani 1 d . .
C6D C 0.1922(3) 0.12450(13) 0.4490(2) 0.0677(7) Uani 1 d . .
C7D C 0.1336(2) 0.17648(12) 0.38599(14) 0.0559(5) Uani 1 d . .
B1 B -0.3511(4) 0.5146(2) 0.3107(2) 0.0789(8) Uani 1 d . .
B2 B -0.4358(3) 0.4534(2) 0.3596(2) 0.0696(8) Uani 1 d . .
B3 B -0.4671(3) 0.4596(2) 0.2355(2) 0.0669(7) Uani 1 d . .
B4 B -0.2771(3) 0.4561(2) 0.2531(2) 0.0681(7) Uani 1 d . .
B5 B -0.2382(3) 0.4500(2) 0.3755(2) 0.0746(8) Uani 1 d . .
B6 B -0.3379(4) 0.3745(2) 0.3870(2) 0.0853(10) Uani 1 d . .
B7 B -0.4949(4) 0.3804(2) 0.2869(3) 0.0875(10) Uani 1 d . .
B8 B -0.3856(3) 0.3811(2) 0.2106(2) 0.0710(8) Uani 1 d . .
B9 B -0.2336(3) 0.3723(2) 0.3096(2) 0.0686(8) Uani 1 d . .
B10 B -0.3726(4) 0.3217(2) 0.2928(3) 0.0960(11) Uani 1 d . .
H2A H 0.0435(23) 0.3855(12) 0.1812(16) 0.071(7) Uiso 1 d . .
H3A H -0.0755(30) 0.4777(17) 0.0914(20) 0.115(11) Uiso 1 d . .
H4A H -0.2274(28) 0.4584(15) -0.0646(20) 0.103(9) Uiso 1 d . .
H5A H -0.2636(27) 0.3385(14) -0.1114(19) 0.092(9) Uiso 1 d . .
H6A H -0.1520(21) 0.2486(11) -0.0206(14) 0.056(6) Uiso 1 d . .
H2B H 0.3245(23) 0.2713(12) 0.1495(15) 0.068(7) Uiso 1 d . .
H3B H 0.4724(27) 0.2372(12) 0.0707(17) 0.081(8) Uiso 1 d . .
H4B H 0.3938(26) 0.1427(14) -0.0377(17) 0.085(8) Uiso 1 d . .
H5B H 0.1781(27) 0.0925(14) -0.0591(19) 0.089(9) Uiso 1 d . .
H6B H 0.0328(22) 0.1291(10) 0.0139(14) 0.055(6) Uiso 1 d . .
H2C H 0.0790(24) 0.0871(12) 0.1868(15) 0.068(7) Uiso 1 d . .
H3C H -0.0638(25) 0.0010(15) 0.2142(17) 0.084(8) Uiso 1 d . .
H4C H -0.2879(31) 0.0238(16) 0.2137(21) 0.114(10) Uiso 1 d . .
H5C H -0.3746(31) 0.1412(14) 0.1842(18) 0.097(9) Uiso 1 d . .
H6C H -0.2284(21) 0.2250(11) 0.1576(14) 0.049(6) Uiso 1 d . .
H1DA H 0.2124(21) 0.2968(11) 0.2599(13) 0.060(6) Uiso 1 d . .
H1DB H 0.0688(25) 0.2894(13) 0.2849(16) 0.080(7) Uiso 1 d . .
H7D H 0.0358(25) 0.1941(12) 0.3765(15) 0.070(7) Uiso 1 d . .
H3D H 0.3966(23) 0.2084(13) 0.3102(16) 0.072(7) Uiso 1 d . .
H4D H 0.4855(29) 0.1170(14) 0.4158(18) 0.089(9) Uiso 1 d . .
H5D H 0.3601(29) 0.0669(16) 0.5001(21) 0.099(9) Uiso 1 d . .
H6D H 0.1399(28) 0.1040(15) 0.4832(19) 0.095(9) Uiso 1 d . .
HB1A H -0.3493(37) 0.5737(21) 0.3128(26) 0.153(13) Uiso 1 d . .
HB1B H -0.3592(92) 0.4997(51) 0.3764(60) 0.357(41) Uiso 1 d . .
HB2 H -0.4962(27) 0.4727(13) 0.4057(17) 0.090(8) Uiso 1 d . .
HB3 H -0.5475(27) 0.4869(14) 0.1790(18) 0.104(9) Uiso 1 d . .
HB4 H -0.2115(29) 0.4777(15) 0.2135(19) 0.103(9) Uiso 1 d . .
HB5 H -0.1474(32) 0.4666(15) 0.4330(22) 0.115(9) Uiso 1 d . .
HB6 H -0.3161(28) 0.3558(15) 0.4548(20) 0.106(9) Uiso 1 d . .
HB7 H -0.6106(34) 0.3676(17) 0.2755(21) 0.130(11) Uiso 1 d . .
HB8 H -0.4098(30) 0.3650(15) 0.1376(21) 0.119(10) Uiso 1 d . .
HB9 H -0.1261(31) 0.3497(15) 0.3202(19) 0.112(9) Uiso 1 d . .
HB10 H -0.3840(38) 0.2595(20) 0.2881(25) 0.152(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 111.03(9) . . ?
C1C P1 C1B 110.21(9) . . ?
C1A P1 C1B 107.71(9) . . ?
C1C P1 C1D 107.84(9) . . ?
C1A P1 C1D 108.68(10) . . ?
C1B P1 C1D 111.38(10) . . ?
C2A C1A C6A 119.4(2) . . ?
C2A C1A P1 121.5(2) . . ?
C6A C1A P1 118.9(2) . . ?
C3A C2A C1A 119.9(2) . . ?
C3A C2A H2A 119.6(14) . . ?
C1A C2A H2A 120.3(14) . . ?
C4A C3A C2A 120.4(3) . . ?
C4A C3A H3A 122.0(18) . . ?
C2A C3A H3A 117.6(18) . . ?
C3A C4A C5A 120.3(2) . . ?
C3A C4A H4A 122.3(16) . . ?
C5A C4A H4A 117.4(16) . . ?
C4A C5A C6A 120.6(3) . . ?
C4A C5A H5A 124.9(17) . . ?
C6A C5A H5A 114.5(17) . . ?
C5A C6A C1A 119.4(2) . . ?
C5A C6A H6A 122.1(13) . . ?
C1A C6A H6A 118.5(13) . . ?
C6B C1B C2B 119.4(2) . . ?
C6B C1B P1 120.5(2) . . ?
C2B C1B P1 119.86(15) . . ?
C3B C2B C1B 120.4(2) . . ?
C3B C2B H2B 117.5(14) . . ?
C1B C2B H2B 122.1(14) . . ?
C4B C3B C2B 119.7(2) . . ?
C4B C3B H3B 122.9(14) . . ?
C2B C3B H3B 117.3(14) . . ?
C3B C4B C5B 120.7(2) . . ?
C3B C4B H4B 121.6(16) . . ?
C5B C4B H4B 117.7(16) . . ?
C4B C5B C6B 120.6(3) . . ?
C4B C5B H5B 124.7(18) . . ?
C6B C5B H5B 114.6(18) . . ?
C1B C6B C5B 119.1(2) . . ?
C1B C6B H6B 121.6(13) . . ?
C5B C6B H6B 119.3(13) . . ?
C2C C1C C6C 120.0(2) . . ?
C2C C1C P1 119.27(15) . . ?
C6C C1C P1 120.5(2) . . ?
C3C C2C C1C 120.1(2) . . ?
C3C C2C H2C 119.2(14) . . ?
C1C C2C H2C 120.6(14) . . ?
C4C C3C C2C 120.1(3) . . ?
C4C C3C H3C 120.1(16) . . ?
C2C C3C H3C 119.8(16) . . ?
C5C C4C C3C 120.5(2) . . ?
C5C C4C H4C 120.6(18) . . ?
C3C C4C H4C 118.9(18) . . ?
C4C C5C C6C 120.6(3) . . ?
C4C C5C H5C 123.2(17) . . ?
C6C C5C H5C 116.2(17) . . ?
C5C C6C C1C 118.8(2) . . ?
C5C C6C H6C 123.4(14) . . ?
C1C C6C H6C 117.8(14) . . ?
C2D C1D P1 113.75(14) . . ?
C2D C1D H1DA 111.6(12) . . ?
P1 C1D H1DA 106.1(12) . . ?
C2D C1D H1DB 111.8(14) . . ?
P1 C1D H1DB 100.4(14) . . ?
H1DA C1D H1DB 112.5(19) . . ?
C7D C2D C3D 119.1(2) . . ?
C7D C2D C1D 119.4(2) . . ?
C3D C2D C1D 121.5(2) . . ?
C4D C3D C2D 120.0(2) . . ?
C4D C3D H3D 122.6(13) . . ?
C2D C3D H3D 117.3(13) . . ?
C5D C4D C3D 120.6(3) . . ?
C5D C4D H4D 119.2(18) . . ?
C3D C4D H4D 120.2(18) . . ?
C4D C5D C6D 119.4(3) . . ?
C4D C5D H5D 121.5(19) . . ?
C6D C5D H5D 119.0(18) . . ?
C7D C6D C5D 120.4(2) . . ?
C7D C6D H6D 119.7(17) . . ?
C5D C6D H6D 119.8(17) . . ?
C2D C7D C6D 120.5(2) . . ?
C2D C7D H7D 117.7(13) . . ?
C6D C7D H7D 121.9(13) . . ?
B3 B1 B4 65.1(2) . . ?
B3 B1 B2 63.7(2) . . ?
B4 B1 B2 97.7(2) . . ?
B3 B1 B5 98.0(2) . . ?
B4 B1 B5 61.9(2) . . ?
B2 B1 B5 67.0(2) . . ?
B3 B1 HB1A 129.1(20) . . ?
B4 B1 HB1A 130.9(19) . . ?
B2 B1 HB1A 131.4(19) . . ?
B5 B1 HB1A 132.9(20) . . ?
B3 B1 HB1B 103.4(50) . . ?
B4 B1 HB1B 118.5(49) . . ?
B2 B1 HB1B 39.8(50) . . ?
B5 B1 HB1B 60.6(48) . . ?
HB1A B1 HB1B 104.1(52) . . ?
B1 B2 B7 111.8(2) . . ?
B1 B2 B6 110.9(2) . . ?
B7 B2 B6 62.5(2) . . ?
B1 B2 B3 57.5(2) . . ?
B7 B2 B3 58.7(2) . . ?
B6 B2 B3 101.9(2) . . ?
B1 B2 B5 56.9(2) . . ?
B7 B2 B5 100.8(2) . . ?
B6 B2 B5 57.7(2) . . ?
B3 B2 B5 88.5(2) . . ?
B1 B2 HB1B 36.6(44) . . ?
B7 B2 HB1B 145.0(44) . . ?
B6 B2 HB1B 108.0(45) . . ?
B3 B2 HB1B 94.0(45) . . ?
B5 B2 HB1B 53.2(44) . . ?
B1 B2 HB2 118.7(13) . . ?
B7 B2 HB2 120.6(13) . . ?
B6 B2 HB2 119.8(13) . . ?
B3 B2 HB2 132.4(13) . . ?
B5 B2 HB2 131.9(13) . . ?
HB1B B2 HB2 93.8(44) . . ?
B1 B3 B7 113.1(2) . . ?
B1 B3 B8 112.7(2) . . ?
B7 B3 B8 61.9(2) . . ?
B1 B3 B2 58.8(2) . . ?
B7 B3 B2 58.8(2) . . ?
B8 B3 B2 102.7(2) . . ?
B1 B3 B4 57.6(2) . . ?
B7 B3 B4 101.8(2) . . ?
B8 B3 B4 58.8(2) . . ?
B2 B3 B4 90.4(2) . . ?
B1 B3 HB3 114.6(14) . . ?
B7 B3 HB3 124.5(14) . . ?
B8 B3 HB3 119.6(14) . . ?
B2 B3 HB3 133.3(13) . . ?
B4 B3 HB3 127.1(13) . . ?
B1 B4 B5 60.0(2) . . ?
B1 B4 B8 112.7(2) . . ?
B5 B4 B8 103.8(2) . . ?
B1 B4 B9 114.0(2) . . ?
B5 B4 B9 60.0(2) . . ?
B8 B4 B9 60.0(2) . . ?
B1 B4 B3 57.3(2) . . ?
B5 B4 B3 92.2(2) . . ?
B8 B4 B3 59.2(2) . . ?
B9 B4 B3 100.9(2) . . ?
B1 B4 HB4 117.8(15) . . ?
B5 B4 HB4 128.4(14) . . ?
B8 B4 HB4 119.9(14) . . ?
B9 B4 HB4 119.5(15) . . ?
B3 B4 HB4 132.5(15) . . ?
B1 B5 B4 58.1(2) . . ?
B1 B5 B9 112.6(2) . . ?
B4 B5 B9 60.3(2) . . ?
B1 B5 B6 109.3(2) . . ?
B4 B5 B6 101.9(2) . . ?
B9 B5 B6 60.5(2) . . ?
B1 B5 B2 56.1(2) . . ?
B4 B5 B2 88.9(2) . . ?
B9 B5 B2 99.2(2) . . ?
B6 B5 B2 56.8(2) . . ?
B1 B5 HB1B 37.0(34) . . ?
B4 B5 HB1B 92.8(33) . . ?
B9 B5 HB1B 131.6(33) . . ?
B6 B5 HB1B 91.3(37) . . ?
B2 B5 HB1B 36.5(35) . . ?
B1 B5 HB5 118.9(16) . . ?
B4 B5 HB5 132.3(16) . . ?
B9 B5 HB5 121.6(15) . . ?
B6 B5 HB5 120.4(16) . . ?
B2 B5 HB5 131.5(16) . . ?
HB1B B5 HB5 106.4(35) . . ?
B10 B6 B2 110.2(2) . . ?
B10 B6 B5 111.5(2) . . ?
B2 B6 B5 65.6(2) . . ?
B10 B6 B9 56.1(2) . . ?
B2 B6 B9 105.0(2) . . ?
B5 B6 B9 59.9(2) . . ?
B10 B6 B7 55.3(2) . . ?
B2 B6 B7 58.4(2) . . ?
B5 B6 B7 103.6(2) . . ?
B9 B6 B7 89.0(2) . . ?
B10 B6 HB6 124.1(16) . . ?
B2 B6 HB6 116.8(16) . . ?
B5 B6 HB6 114.4(16) . . ?
B9 B6 HB6 130.5(15) . . ?
B7 B6 HB6 134.9(16) . . ?
B10 B7 B3 112.7(2) . . ?
B10 B7 B2 113.5(3) . . ?
B3 B7 B2 62.4(2) . . ?
B10 B7 B8 56.8(2) . . ?
B3 B7 B8 60.1(2) . . ?
B2 B7 B8 104.0(2) . . ?
B10 B7 B6 58.2(2) . . ?
B3 B7 B6 102.1(2) . . ?
B2 B7 B6 59.1(2) . . ?
B8 B7 B6 89.8(2) . . ?
B10 B7 HB7 124.9(16) . . ?
B3 B7 HB7 114.0(16) . . ?
B2 B7 HB7 113.1(16) . . ?
B8 B7 HB7 133.2(16) . . ?
B6 B7 HB7 133.4(16) . . ?
B10 B8 B4 111.8(2) . . ?
B10 B8 B9 56.9(2) . . ?
B4 B8 B9 60.2(2) . . ?
B10 B8 B3 109.9(2) . . ?
B4 B8 B3 62.0(2) . . ?
B9 B8 B3 103.1(2) . . ?
B10 B8 B7 55.9(2) . . ?
B4 B8 B7 101.2(2) . . ?
B9 B8 B7 89.3(2) . . ?
B3 B8 B7 58.0(2) . . ?
B10 B8 HB8 120.8(16) . . ?
B4 B8 HB8 120.3(16) . . ?
B9 B8 HB8 133.4(15) . . ?
B3 B8 HB8 117.9(15) . . ?
B7 B8 HB8 130.3(15) . . ?
B10 B9 B5 113.5(2) . . ?
B10 B9 B8 57.4(2) . . ?
B5 B9 B8 103.4(2) . . ?
B10 B9 B4 111.8(2) . . ?
B5 B9 B4 59.7(2) . . ?
B8 B9 B4 59.8(2) . . ?
B10 B9 B6 58.6(2) . . ?
B5 B9 B6 59.7(2) . . ?
B8 B9 B6 91.8(2) . . ?
B4 B9 B6 100.9(2) . . ?
B10 B9 HB9 121.9(15) . . ?
B5 B9 HB9 115.0(15) . . ?
B8 B9 HB9 133.4(14) . . ?
B4 B9 HB9 119.1(15) . . ?
B6 B9 HB9 129.7(14) . . ?
B7 B10 B9 101.4(2) . . ?
B7 B10 B8 67.3(2) . . ?
B9 B10 B8 65.6(2) . . ?
B7 B10 B6 66.5(2) . . ?
B9 B10 B6 65.2(2) . . ?
B8 B10 B6 100.7(2) . . ?
B7 B10 HB10 128.0(19) . . ?
B9 B10 HB10 130.6(18) . . ?
B8 B10 HB10 130.4(18) . . ?
B6 B10 HB10 129.0(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 1.787(2) . ?
P1 C1A 1.792(2) . ?
P1 C1B 1.789(2) . ?
P1 C1D 1.814(2) . ?
C1A C2A 1.394(3) . ?
C1A C6A 1.388(3) . ?
C2A C3A 1.383(3) . ?
C2A H2A 0.98(2) . ?
C3A C4A 1.362(4) . ?
C3A H3A 0.97(3) . ?
C4A C5A 1.371(4) . ?
C4A H4A 1.03(3) . ?
C5A C6A 1.388(3) . ?
C5A H5A 0.93(3) . ?
C6A H6A 0.92(2) . ?
C1B C6B 1.393(3) . ?
C1B C2B 1.394(3) . ?
C2B C3B 1.374(3) . ?
C2B H2B 0.94(2) . ?
C3B C4B 1.371(4) . ?
C3B H3B 1.01(2) . ?
C4B C5B 1.369(4) . ?
C4B H4B 0.92(3) . ?
C5B C6B 1.384(3) . ?
C5B H5B 0.88(3) . ?
C6B H6B 0.92(2) . ?
C1C C2C 1.391(3) . ?
C1C C6C 1.393(3) . ?
C2C C3C 1.374(3) . ?
C2C H2C 0.96(2) . ?
C3C C4C 1.369(4) . ?
C3C H3C 0.92(3) . ?
C4C C5C 1.375(4) . ?
C4C H4C 0.96(3) . ?
C5C C6C 1.387(3) . ?
C5C H5C 0.96(3) . ?
C6C H6C 0.86(2) . ?
C1D C2D 1.508(3) . ?
C1D H1DA 0.95(2) . ?
C1D H1DB 0.99(2) . ?
C2D C7D 1.382(3) . ?
C2D C3D 1.378(3) . ?
C3D C4D 1.381(3) . ?
C3D H3D 0.98(2) . ?
C4D C5D 1.377(4) . ?
C4D H4D 0.87(3) . ?
C5D C6D 1.365(4) . ?
C5D H5D 0.89(3) . ?
C6D C7D 1.377(3) . ?
C6D H6D 0.93(3) . ?
C7D H7D 1.01(2) . ?
B1 B3 1.716(4) . ?
B1 B4 1.722(4) . ?
B1 B2 1.741(5) . ?
B1 B5 1.757(5) . ?
B1 HB1A 1.12(4) . ?
B1 HB1B 1.07(9) . ?
B2 B7 1.760(5) . ?
B2 B6 1.772(4) . ?
B2 B3 1.824(4) . ?
B2 B5 1.930(5) . ?
B2 HB1B 1.15(10) . ?
B2 HB2 1.12(3) . ?
B3 B7 1.759(5) . ?
B3 B8 1.799(4) . ?
B3 B4 1.850(4) . ?
B3 HB3 1.11(3) . ?
B4 B5 1.789(4) . ?
B4 B8 1.792(4) . ?
B4 B9 1.800(4) . ?
B4 HB4 1.10(3) . ?
B5 B9 1.794(4) . ?
B5 B6 1.791(5) . ?
B5 HB1B 1.54(9) . ?
B5 HB5 1.10(3) . ?
B6 B10 1.698(5) . ?
B6 B9 1.806(4) . ?
B6 B7 1.831(5) . ?
B6 HB6 1.05(3) . ?
B7 B10 1.643(5) . ?
B7 B8 1.831(5) . ?
B7 HB7 1.15(3) . ?
B8 B10 1.660(5) . ?
B8 B9 1.795(4) . ?
B8 HB8 1.11(3) . ?
B9 B10 1.651(5) . ?
B9 HB9 1.13(3) . ?
B10 HB10 1.19(4) . ?
