#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:32:26 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313111.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_4313111
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                 107.836(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.988(2)
_cell_length_b                   18.890(2)
_cell_length_c                   15.100(2)
_cell_measurement_reflns_used    '10 frames'
_cell_measurement_temperature    180(2)
_cell_volume                     2712.0(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      180(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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0331
_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            18472
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.116
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.157
_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         0.323
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.031
_refine_ls_goodness_of_fit_obs   1.053
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6679
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_restrained_S_obs      1.053
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_obs          0.0409
_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         0.1076
_refine_ls_wR_factor_obs         0.0959
_reflns_number_observed          5240
_reflns_number_total             6680
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic020540s_2.cif
_cod_data_source_block           '[PPh3(Benzyl)][B10H11]at180K'
_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        2712.1(7)
_cod_database_code               4313111
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 0.04938(3) 0.23521(2) 0.15379(2) 0.02168(9) Uani 1 d . .
C1A C -0.04766(14) 0.30849(7) 0.08933(10) 0.0258(3) Uani 1 d . .
C2A C -0.0232(2) 0.37757(8) 0.12310(12) 0.0358(3) Uani 1 d . .
C3A C -0.0896(2) 0.43398(9) 0.06791(13) 0.0432(4) Uani 1 d . .
C4A C -0.1788(2) 0.42167(9) -0.02023(13) 0.0430(4) Uani 1 d . .
C5A C -0.2044(2) 0.35329(10) -0.05398(12) 0.0410(4) Uani 1 d . .
C6A C -0.13933(15) 0.29614(9) 0.00017(11) 0.0327(3) Uani 1 d . .
C1B C 0.16726(13) 0.20386(7) 0.09363(9) 0.0232(3) Uani 1 d . .
C2B C 0.29863(14) 0.23637(8) 0.11013(10) 0.0270(3) Uani 1 d . .
C3B C 0.3868(2) 0.21481(9) 0.06011(11) 0.0341(3) Uani 1 d . .
C4B C 0.3461(2) 0.16129(9) -0.00498(11) 0.0394(4) Uani 1 d . .
C5B C 0.2155(2) 0.12995(9) -0.02278(11) 0.0378(4) Uani 1 d . .
C6B C 0.1242(2) 0.15151(8) 0.02573(10) 0.0303(3) Uani 1 d . .
C1C C -0.06547(13) 0.16547(7) 0.16472(9) 0.0245(3) Uani 1 d . .
C2C C -0.0127(2) 0.09675(8) 0.18129(10) 0.0305(3) Uani 1 d . .
C3C C -0.0961(2) 0.04305(9) 0.19843(12) 0.0385(4) Uani 1 d . .
C4C C -0.2312(2) 0.05819(10) 0.19997(12) 0.0432(4) Uani 1 d . .
C5C C -0.2828(2) 0.12632(10) 0.18509(12) 0.0411(4) Uani 1 d . .
C6C C -0.20106(15) 0.18070(9) 0.16743(10) 0.0320(3) Uani 1 d . .
C1D C 0.14497(14) 0.26581(7) 0.26993(9) 0.0258(3) Uani 1 d . .
C2D C 0.21081(13) 0.20692(7) 0.33663(9) 0.0246(3) Uani 1 d . .
C3D C 0.34798(15) 0.18463(8) 0.34888(11) 0.0319(3) Uani 1 d . .
C4D C 0.4065(2) 0.13144(9) 0.41221(12) 0.0410(4) Uani 1 d . .
C5D C 0.3299(2) 0.10032(9) 0.46419(12) 0.0412(4) Uani 1 d . .
C6D C 0.1939(2) 0.12241(9) 0.45254(11) 0.0381(4) Uani 1 d . .
C7D C 0.1339(2) 0.17508(8) 0.38875(10) 0.0317(3) Uani 1 d . .
B1 B -0.3497(2) 0.51960(10) 0.31085(13) 0.0347(4) Uani 1 d . .
B2 B -0.4353(2) 0.45646(10) 0.36215(12) 0.0328(4) Uani 1 d . .
B3 B -0.4676(2) 0.46228(10) 0.23788(12) 0.0330(4) Uani 1 d . .
B4 B -0.2736(2) 0.45989(10) 0.25380(13) 0.0348(4) Uani 1 d . .
B5 B -0.2329(2) 0.45390(11) 0.37733(13) 0.0379(4) Uani 1 d . .
B6 B -0.3310(2) 0.37614(10) 0.39079(14) 0.0413(4) Uani 1 d . .
B7 B -0.4916(2) 0.37997(10) 0.28920(14) 0.0401(4) Uani 1 d . .
B8 B -0.3834(2) 0.38324(10) 0.21141(12) 0.0340(4) Uani 1 d . .
B9 B -0.2255(2) 0.37566(10) 0.31036(13) 0.0362(4) Uani 1 d . .
B10 B -0.3629(2) 0.32118(10) 0.2966(2) 0.0449(5) Uani 1 d . .
H2A H 0.0413(19) 0.3870(9) 0.1866(13) 0.043(5) Uiso 1 d . .
H3A H -0.0728(20) 0.4814(11) 0.0921(13) 0.056(6) Uiso 1 d . .
H4A H -0.2209(21) 0.4609(11) -0.0595(14) 0.057(6) Uiso 1 d . .
H5A H -0.2650(20) 0.3432(10) -0.1145(14) 0.051(5) Uiso 1 d . .
H6A H -0.1555(17) 0.2484(9) -0.0226(11) 0.031(4) Uiso 1 d . .
H2B H 0.3263(16) 0.2743(9) 0.1539(11) 0.030(4) Uiso 1 d . .
H3B H 0.4778(20) 0.2382(9) 0.0728(12) 0.045(5) Uiso 1 d . .
H4B H 0.4078(20) 0.1453(10) -0.0370(13) 0.048(5) Uiso 1 d . .
H5B H 0.1875(19) 0.0935(10) -0.0650(13) 0.043(5) Uiso 1 d . .
H6B H 0.0345(18) 0.1292(9) 0.0128(11) 0.035(4) Uiso 1 d . .
H2C H 0.0819(19) 0.0861(9) 0.1825(12) 0.042(5) Uiso 1 d . .
H3C H -0.0607(19) -0.0045(11) 0.2089(13) 0.049(5) Uiso 1 d . .
H4C H -0.2873(21) 0.0209(11) 0.2118(14) 0.055(6) Uiso 1 d . .
H5C H -0.3751(22) 0.1361(11) 0.1881(14) 0.059(6) Uiso 1 d . .
H6C H -0.2348(17) 0.2293(9) 0.1590(11) 0.032(4) Uiso 1 d . .
H1DA H 0.2141(17) 0.3006(9) 0.2624(11) 0.035(4) Uiso 1 d . .
H1DB H 0.0729(18) 0.2922(9) 0.2897(12) 0.039(4) Uiso 1 d . .
H7D H 0.0383(18) 0.1917(9) 0.3822(11) 0.038(4) Uiso 1 d . .
H3D H 0.4027(18) 0.2093(10) 0.3142(12) 0.041(5) Uiso 1 d . .
H4D H 0.4986(21) 0.1174(10) 0.4195(13) 0.051(5) Uiso 1 d . .
H5D H 0.3725(21) 0.0642(11) 0.5095(14) 0.056(6) Uiso 1 d . .
H6D H 0.1424(19) 0.1005(10) 0.4902(13) 0.047(5) Uiso 1 d . .
HB1A H -0.3456(20) 0.5779(11) 0.3095(14) 0.058(6) Uiso 1 d . .
HB1B H -0.3368(35) 0.5104(19) 0.3876(24) 0.139(12) Uiso 1 d . .
HB2 H -0.4921(18) 0.4735(9) 0.4110(12) 0.041(5) Uiso 1 d . .
HB3 H -0.5531(19) 0.4867(10) 0.1843(13) 0.049(5) Uiso 1 d . .
HB4 H -0.2149(21) 0.4836(11) 0.2107(14) 0.059(6) Uiso 1 d . .
HB5 H -0.1429(22) 0.4703(10) 0.4357(14) 0.060(6) Uiso 1 d . .
HB6 H -0.3145(22) 0.3528(11) 0.4604(15) 0.067(6) Uiso 1 d . .
HB7 H -0.6042(21) 0.3629(11) 0.2783(14) 0.060(6) Uiso 1 d . .
HB8 H -0.4038(19) 0.3685(10) 0.1380(13) 0.048(5) Uiso 1 d . .
HB9 H -0.1165(21) 0.3550(10) 0.3172(13) 0.057(6) Uiso 1 d . .
HB10 H -0.3669(22) 0.2627(12) 0.2930(15) 0.066(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 110.05(6) . . ?
C1C P1 C1A 111.29(6) . . ?
C1B P1 C1A 108.00(6) . . ?
C1C P1 C1D 107.94(6) . . ?
C1B P1 C1D 111.21(6) . . ?
C1A P1 C1D 108.36(7) . . ?
C2A C1A C6A 119.88(13) . . ?
C2A C1A P1 121.19(11) . . ?
C6A C1A P1 118.65(11) . . ?
C3A C2A C1A 120.0(2) . . ?
C3A C2A H2A 119.3(11) . . ?
C1A C2A H2A 120.7(11) . . ?
C4A C3A C2A 119.9(2) . . ?
C4A C3A H3A 120.7(12) . . ?
C2A C3A H3A 119.3(12) . . ?
C3A C4A C5A 120.4(2) . . ?
C3A C4A H4A 119.8(12) . . ?
C5A C4A H4A 119.7(12) . . ?
C4A C5A C6A 120.5(2) . . ?
C4A C5A H5A 122.3(12) . . ?
C6A C5A H5A 117.2(12) . . ?
C5A C6A C1A 119.2(2) . . ?
C5A C6A H6A 121.4(10) . . ?
C1A C6A H6A 119.3(10) . . ?
C6B C1B C2B 120.19(12) . . ?
C6B C1B P1 120.28(10) . . ?
C2B C1B P1 119.33(10) . . ?
C3B C2B C1B 119.45(14) . . ?
C3B C2B H2B 120.0(9) . . ?
C1B C2B H2B 120.5(9) . . ?
C4B C3B C2B 120.32(15) . . ?
C4B C3B H3B 121.7(11) . . ?
C2B C3B H3B 118.0(11) . . ?
C3B C4B C5B 120.44(14) . . ?
C3B C4B H4B 120.2(12) . . ?
C5B C4B H4B 119.3(12) . . ?
C4B C5B C6B 120.2(2) . . ?
C4B C5B H5B 121.5(11) . . ?
C6B C5B H5B 118.3(11) . . ?
C5B C6B C1B 119.34(14) . . ?
C5B C6B H6B 119.2(10) . . ?
C1B C6B H6B 121.5(10) . . ?
C2C C1C C6C 120.20(13) . . ?
C2C C1C P1 118.98(10) . . ?
C6C C1C P1 120.41(11) . . ?
C3C C2C C1C 119.91(14) . . ?
C3C C2C H2C 119.1(11) . . ?
C1C C2C H2C 121.0(11) . . ?
C4C C3C C2C 119.7(2) . . ?
C4C C3C H3C 120.1(11) . . ?
C2C C3C H3C 120.2(11) . . ?
C5C C4C C3C 120.45(15) . . ?
C5C C4C H4C 120.7(12) . . ?
C3C C4C H4C 118.9(12) . . ?
C4C C5C C6C 120.67(15) . . ?
C4C C5C H5C 119.3(12) . . ?
C6C C5C H5C 120.0(12) . . ?
C5C C6C C1C 119.04(15) . . ?
C5C C6C H6C 121.5(10) . . ?
C1C C6C H6C 119.4(10) . . ?
C2D C1D P1 113.74(9) . . ?
C2D C1D H1DA 113.1(9) . . ?
P1 C1D H1DA 106.3(9) . . ?
C2D C1D H1DB 112.2(10) . . ?
P1 C1D H1DB 103.6(10) . . ?
H1DA C1D H1DB 107.3(14) . . ?
C3D C2D C7D 119.02(14) . . ?
C3D C2D C1D 121.47(12) . . ?
C7D C2D C1D 119.49(12) . . ?
C4D C3D C2D 120.08(14) . . ?
C4D C3D H3D 121.7(10) . . ?
C2D C3D H3D 118.1(10) . . ?
C5D C4D C3D 120.6(2) . . ?
C5D C4D H4D 120.6(12) . . ?
C3D C4D H4D 118.8(12) . . ?
C6D C5D C4D 119.5(2) . . ?
C6D C5D H5D 120.3(12) . . ?
C4D C5D H5D 120.1(12) . . ?
C5D C6D C7D 120.28(15) . . ?
C5D C6D H6D 118.4(11) . . ?
C7D C6D H6D 121.3(11) . . ?
C6D C7D C2D 120.45(14) . . ?
C6D C7D H7D 120.0(10) . . ?
C2D C7D H7D 119.5(10) . . ?
B3 B1 B4 65.85(11) . . ?
B3 B1 B2 62.10(10) . . ?
B4 B1 B2 97.06(12) . . ?
B3 B1 B5 97.10(12) . . ?
B4 B1 B5 61.05(11) . . ?
B2 B1 B5 66.90(11) . . ?
B3 B1 HB1A 129.6(10) . . ?
B4 B1 HB1A 128.1(10) . . ?
B2 B1 HB1A 134.8(10) . . ?
B5 B1 HB1A 133.0(10) . . ?
B3 B1 HB1B 113.3(18) . . ?
B4 B1 HB1B 118.4(18) . . ?
B2 B1 HB1B 51.2(18) . . ?
B5 B1 HB1B 58.1(17) . . ?
HB1A B1 HB1B 100.3(20) . . ?
B1 B2 B7 111.97(13) . . ?
B1 B2 B3 57.55(10) . . ?
B7 B2 B3 59.36(10) . . ?
B1 B2 B6 110.31(12) . . ?
B7 B2 B6 61.58(11) . . ?
B3 B2 B6 101.83(12) . . ?
B1 B2 B5 56.78(10) . . ?
B7 B2 B5 99.76(11) . . ?
B3 B2 B5 88.44(11) . . ?
B6 B2 B5 57.10(10) . . ?
B1 B2 HB1B 39.9(14) . . ?
B7 B2 HB1B 145.3(14) . . ?
B3 B2 HB1B 97.4(14) . . ?
B6 B2 HB1B 103.9(14) . . ?
B5 B2 HB1B 50.8(14) . . ?
B1 B2 HB2 120.5(9) . . ?
B7 B2 HB2 120.9(9) . . ?
B3 B2 HB2 135.2(9) . . ?
B6 B2 HB2 117.3(9) . . ?
B5 B2 HB2 130.4(9) . . ?
HB1B B2 HB2 93.8(17) . . ?
B1 B3 B7 115.17(13) . . ?
B1 B3 B2 60.35(10) . . ?
B7 B3 B2 60.10(10) . . ?
B1 B3 B8 112.62(12) . . ?
B7 B3 B8 60.86(10) . . ?
B2 B3 B8 103.35(12) . . ?
B1 B3 B4 57.19(10) . . ?
B7 B3 B4 101.19(12) . . ?
B2 B3 B4 90.95(11) . . ?
B8 B3 B4 58.64(9) . . ?
B1 B3 HB3 115.9(10) . . ?
B7 B3 HB3 121.0(10) . . ?
B2 B3 HB3 130.6(10) . . ?
B8 B3 HB3 119.9(10) . . ?
B4 B3 HB3 130.7(10) . . ?
B1 B4 B5 61.04(11) . . ?
B1 B4 B9 115.72(13) . . ?
B5 B4 B9 60.42(10) . . ?
B1 B4 B8 112.74(12) . . ?
B5 B4 B8 103.77(12) . . ?
B9 B4 B8 60.36(10) . . ?
B1 B4 B3 56.96(10) . . ?
B5 B4 B3 91.80(11) . . ?
B9 B4 B3 101.35(12) . . ?
B8 B4 B3 59.00(9) . . ?
B1 B4 HB4 115.2(11) . . ?
B5 B4 HB4 130.8(11) . . ?
B9 B4 HB4 121.9(11) . . ?
B8 B4 HB4 119.5(11) . . ?
B3 B4 HB4 129.2(11) . . ?
B1 B5 B4 57.92(10) . . ?
B1 B5 B9 112.68(13) . . ?
B4 B5 B9 60.15(10) . . ?
B1 B5 B6 110.09(12) . . ?
B4 B5 B6 102.15(12) . . ?
B9 B5 B6 60.99(11) . . ?
B1 B5 B2 56.32(9) . . ?
B4 B5 B2 88.82(10) . . ?
B9 B5 B2 99.88(12) . . ?
B6 B5 B2 57.33(10) . . ?
B1 B5 HB1B 39.2(13) . . ?
B4 B5 HB1B 96.7(13) . . ?
B9 B5 HB1B 140.7(13) . . ?
B6 B5 HB1B 98.5(13) . . ?
B2 B5 HB1B 44.6(13) . . ?
B1 B5 HB5 119.3(11) . . ?
B4 B5 HB5 133.8(11) . . ?
B9 B5 HB5 121.3(11) . . ?
B6 B5 HB5 118.6(11) . . ?
B2 B5 HB5 130.5(11) . . ?
HB1B B5 HB5 97.8(16) . . ?
B10 B6 B5 111.62(14) . . ?
B10 B6 B2 111.20(14) . . ?
B5 B6 B2 65.57(10) . . ?
B10 B6 B9 56.31(11) . . ?
B5 B6 B9 59.33(11) . . ?
B2 B6 B9 104.48(12) . . ?
B10 B6 B7 56.00(11) . . ?
B5 B6 B7 103.69(12) . . ?
B2 B6 B7 58.76(10) . . ?
B9 B6 B7 88.81(12) . . ?
B10 B6 HB6 119.0(11) . . ?
B5 B6 HB6 120.2(11) . . ?
B2 B6 HB6 117.9(11) . . ?
B9 B6 HB6 132.8(11) . . ?
B7 B6 HB6 130.0(11) . . ?
B10 B7 B3 113.78(13) . . ?
B10 B7 B2 113.67(14) . . ?
B3 B7 B2 60.54(10) . . ?
B10 B7 B8 58.11(11) . . ?
B3 B7 B8 60.42(10) . . ?
B2 B7 B8 103.35(12) . . ?
B10 B7 B6 57.76(12) . . ?
B3 B7 B6 101.30(12) . . ?
B2 B7 B6 59.66(10) . . ?
B8 B7 B6 90.03(12) . . ?
B10 B7 HB7 121.8(10) . . ?
B3 B7 HB7 116.4(10) . . ?
B2 B7 HB7 115.4(10) . . ?
B8 B7 HB7 132.3(10) . . ?
B6 B7 HB7 132.8(10) . . ?
B10 B8 B4 111.32(13) . . ?
B10 B8 B9 56.78(11) . . ?
B4 B8 B9 59.53(10) . . ?
B10 B8 B3 110.81(13) . . ?
B4 B8 B3 62.36(10) . . ?
B9 B8 B3 103.15(12) . . ?
B10 B8 B7 56.57(11) . . ?
B4 B8 B7 102.32(12) . . ?
B9 B8 B7 90.23(12) . . ?
B3 B8 B7 58.72(10) . . ?
B10 B8 HB8 121.9(10) . . ?
B4 B8 HB8 117.6(10) . . ?
B9 B8 HB8 131.0(9) . . ?
B3 B8 HB8 118.3(10) . . ?
B7 B8 HB8 132.6(10) . . ?
B10 B9 B4 113.23(13) . . ?
B10 B9 B5 113.58(13) . . ?
B4 B9 B5 59.42(10) . . ?
B10 B9 B8 58.31(11) . . ?
B4 B9 B8 60.10(10) . . ?
B5 B9 B8 102.86(12) . . ?
B10 B9 B6 58.08(11) . . ?
B4 B9 B6 100.71(12) . . ?
B5 B9 B6 59.68(11) . . ?
B8 B9 B6 90.84(12) . . ?
B10 B9 HB9 121.9(10) . . ?
B4 B9 HB9 117.3(10) . . ?
B5 B9 HB9 115.7(10) . . ?
B8 B9 HB9 132.2(10) . . ?
B6 B9 HB9 132.2(10) . . ?
B7 B10 B9 100.57(14) . . ?
B7 B10 B8 65.32(12) . . ?
B9 B10 B8 64.91(11) . . ?
B7 B10 B6 66.25(12) . . ?
B9 B10 B6 65.61(12) . . ?
B8 B10 B6 99.14(13) . . ?
B7 B10 HB10 130.0(11) . . ?
B9 B10 HB10 129.4(11) . . ?
B8 B10 HB10 131.0(11) . . ?
B6 B10 HB10 129.9(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 1.7873(13) . ?
P1 C1B 1.7936(13) . ?
P1 C1A 1.7959(14) . ?
P1 C1D 1.8154(14) . ?
C1A C2A 1.395(2) . ?
C1A C6A 1.396(2) . ?
C2A C3A 1.390(2) . ?
C2A H2A 0.99(2) . ?
C3A C4A 1.376(3) . ?
C3A H3A 0.96(2) . ?
C4A C5A 1.383(3) . ?
C4A H4A 0.96(2) . ?
C5A C6A 1.390(2) . ?
C5A H5A 0.95(2) . ?
C6A H6A 0.96(2) . ?
C1B C6B 1.394(2) . ?
C1B C2B 1.400(2) . ?
C2B C3B 1.386(2) . ?
C2B H2B 0.96(2) . ?
C3B C4B 1.382(2) . ?
C3B H3B 0.98(2) . ?
C4B C5B 1.382(2) . ?
C4B H4B 0.94(2) . ?
C5B C6B 1.393(2) . ?
C5B H5B 0.92(2) . ?
C6B H6B 0.96(2) . ?
C1C C2C 1.395(2) . ?
C1C C6C 1.397(2) . ?
C2C C3C 1.387(2) . ?
C2C H2C 0.96(2) . ?
C3C C4C 1.386(2) . ?
C3C H3C 0.96(2) . ?
C4C C5C 1.379(3) . ?
C4C H4C 0.95(2) . ?
C5C C6C 1.388(2) . ?
C5C H5C 0.96(2) . ?
C6C H6C 0.97(2) . ?
C1D C2D 1.510(2) . ?
C1D H1DA 0.98(2) . ?
C1D H1DB 0.99(2) . ?
C2D C3D 1.390(2) . ?
C2D C7D 1.393(2) . ?
C3D C4D 1.387(2) . ?
C3D H3D 0.98(2) . ?
C4D C5D 1.384(2) . ?
C4D H4D 0.93(2) . ?
C5D C6D 1.380(3) . ?
C5D H5D 0.97(2) . ?
C6D C7D 1.387(2) . ?
C6D H6D 0.97(2) . ?
C7D H7D 0.98(2) . ?
B1 B3 1.726(2) . ?
B1 B4 1.730(3) . ?
B1 B2 1.777(3) . ?
B1 B5 1.787(3) . ?
B1 HB1A 1.10(2) . ?
B1 HB1B 1.14(3) . ?
B2 B7 1.799(3) . ?
B2 B3 1.807(2) . ?
B2 B6 1.816(3) . ?
B2 B5 1.964(2) . ?
B2 HB1B 1.39(3) . ?
B2 HB2 1.11(2) . ?
B3 B7 1.786(3) . ?
B3 B8 1.818(3) . ?
B3 B4 1.879(2) . ?
B3 HB3 1.08(2) . ?
B4 B5 1.787(3) . ?
B4 B9 1.800(3) . ?
B4 B8 1.811(2) . ?
B4 HB4 1.10(2) . ?
B5 B9 1.805(3) . ?
B5 B6 1.812(3) . ?
B5 HB1B 1.53(3) . ?
B5 HB5 1.09(2) . ?
B6 B10 1.710(3) . ?
B6 B9 1.835(3) . ?
B6 B7 1.851(3) . ?
B6 HB6 1.10(2) . ?
B7 B10 1.676(3) . ?
B7 B8 1.825(3) . ?
B7 HB7 1.13(2) . ?
B8 B10 1.706(3) . ?
B8 B9 1.815(3) . ?
B8 HB8 1.10(2) . ?
B9 B10 1.677(3) . ?
B9 HB9 1.13(2) . ?
B10 HB10 1.11(2) . ?
