#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:32:26 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179185 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/31/4313112.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_4313112
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                 107.934(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0222(10)
_cell_length_b                   18.897(2)
_cell_length_c                   15.121(2)
_cell_measurement_reflns_used    '10 frames'
_cell_measurement_temperature    210(2)
_cell_volume                     2724.6(5)
_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      210(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  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0354
_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            18430
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.115
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.152
_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         0.291
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.041
_refine_ls_goodness_of_fit_obs   1.071
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_restrained_S_obs      1.071
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_obs          0.0454
_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         0.1162
_refine_ls_wR_factor_obs         0.1037
_reflns_number_observed          5218
_reflns_number_total             6721
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic020540s_3.cif
_cod_data_source_block           '[PPh3(Benzyl)][B10H11]at210K'
_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        2724.7(5)
_cod_database_code               4313112
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 0.04896(4) 0.23496(2) 0.15351(3) 0.02535(10) Uani 1 d . .
C1A C -0.04768(15) 0.30803(8) 0.08888(10) 0.0298(3) Uani 1 d . .
C2A C -0.0238(2) 0.37711(9) 0.12258(13) 0.0412(4) Uani 1 d . .
C3A C -0.0905(2) 0.43311(10) 0.06733(15) 0.0505(5) Uani 1 d . .
C4A C -0.1793(2) 0.42085(11) -0.02038(15) 0.0509(5) Uani 1 d . .
C5A C -0.2045(2) 0.35255(11) -0.05402(14) 0.0485(4) Uani 1 d . .
C6A C -0.1393(2) 0.29578(10) 0.00017(12) 0.0382(4) Uani 1 d . .
C1B C 0.16621(14) 0.20346(8) 0.09338(10) 0.0272(3) Uani 1 d . .
C2B C 0.2972(2) 0.23590(9) 0.10940(11) 0.0316(3) Uani 1 d . .
C3B C 0.3852(2) 0.21427(10) 0.05941(12) 0.0406(4) Uani 1 d . .
C4B C 0.3441(2) 0.16094(10) -0.00541(13) 0.0461(4) Uani 1 d . .
C5B C 0.2139(2) 0.12957(10) -0.02263(12) 0.0450(4) Uani 1 d . .
C6B C 0.1234(2) 0.15107(9) 0.02568(11) 0.0356(3) Uani 1 d . .
C1C C -0.06579(14) 0.16543(8) 0.16459(10) 0.0282(3) Uani 1 d . .
C2C C -0.0134(2) 0.09681(8) 0.18141(12) 0.0358(3) Uani 1 d . .
C3C C -0.0965(2) 0.04333(10) 0.19879(13) 0.0452(4) Uani 1 d . .
C4C C -0.2311(2) 0.05846(11) 0.19996(14) 0.0503(5) Uani 1 d . .
C5C C -0.2827(2) 0.12660(11) 0.18450(13) 0.0488(5) Uani 1 d . .
C6C C -0.2013(2) 0.18083(10) 0.16680(12) 0.0373(4) Uani 1 d . .
C1D C 0.1447(2) 0.26557(8) 0.26935(10) 0.0301(3) Uani 1 d . .
C2D C 0.21022(15) 0.20704(8) 0.33593(10) 0.0286(3) Uani 1 d . .
C3D C 0.3470(2) 0.18464(9) 0.34803(12) 0.0378(4) Uani 1 d . .
C4D C 0.4053(2) 0.13155(11) 0.41145(14) 0.0484(4) Uani 1 d . .
C5D C 0.3288(2) 0.10064(10) 0.46337(13) 0.0485(4) Uani 1 d . .
C6D C 0.1934(2) 0.12273(10) 0.45178(12) 0.0443(4) Uani 1 d . .
C7D C 0.1335(2) 0.17524(9) 0.38819(11) 0.0362(3) Uani 1 d . .
B1 B -0.3494(2) 0.51867(11) 0.31108(15) 0.0413(4) Uani 1 d . .
B2 B -0.4356(2) 0.45585(11) 0.36146(14) 0.0388(4) Uani 1 d . .
B3 B -0.4676(2) 0.46200(11) 0.23742(13) 0.0384(4) Uani 1 d . .
B4 B -0.2743(2) 0.45892(11) 0.25355(15) 0.0410(4) Uani 1 d . .
B5 B -0.2345(2) 0.45288(12) 0.37703(15) 0.0448(5) Uani 1 d . .
B6 B -0.3328(3) 0.37555(12) 0.3899(2) 0.0490(5) Uani 1 d . .
B7 B -0.4928(2) 0.38007(12) 0.2883(2) 0.0476(5) Uani 1 d . .
B8 B -0.3839(2) 0.38283(11) 0.21120(14) 0.0404(4) Uani 1 d . .
B9 B -0.2276(2) 0.37493(11) 0.31011(14) 0.0427(4) Uani 1 d . .
B10 B -0.3652(3) 0.32108(12) 0.2956(2) 0.0541(6) Uani 1 d . .
H2A H 0.0422(20) 0.3870(10) 0.1862(14) 0.051(5) Uiso 1 d . .
H3A H -0.0729(23) 0.4802(13) 0.0916(15) 0.069(7) Uiso 1 d . .
H4A H -0.2227(23) 0.4598(12) -0.0598(16) 0.067(6) Uiso 1 d . .
H5A H -0.2668(22) 0.3424(11) -0.1153(15) 0.059(6) Uiso 1 d . .
H6A H -0.1548(18) 0.2494(9) -0.0224(12) 0.036(5) Uiso 1 d . .
H2B H 0.3256(18) 0.2744(10) 0.1533(12) 0.039(5) Uiso 1 d . .
H3B H 0.4755(22) 0.2380(10) 0.0731(14) 0.053(6) Uiso 1 d . .
H4B H 0.4074(21) 0.1450(11) -0.0369(14) 0.055(6) Uiso 1 d . .
H5B H 0.1854(21) 0.0938(11) -0.0649(14) 0.053(6) Uiso 1 d . .
H6B H 0.0359(20) 0.1295(10) 0.0146(13) 0.043(5) Uiso 1 d . .
H2C H 0.0795(20) 0.0869(9) 0.1829(13) 0.042(5) Uiso 1 d . .
H3C H -0.0621(21) -0.0051(12) 0.2084(14) 0.061(6) Uiso 1 d . .
H4C H -0.2874(23) 0.0202(12) 0.2116(15) 0.064(6) Uiso 1 d . .
H5C H -0.3748(24) 0.1360(11) 0.1873(15) 0.065(6) Uiso 1 d . .
H6C H -0.2340(19) 0.2289(10) 0.1582(13) 0.042(5) Uiso 1 d . .
H1DA H 0.2123(18) 0.2999(9) 0.2628(12) 0.038(5) Uiso 1 d . .
H1DB H 0.0717(19) 0.2914(10) 0.2882(13) 0.047(5) Uiso 1 d . .
H7D H 0.0363(21) 0.1920(10) 0.3803(13) 0.049(5) Uiso 1 d . .
H3D H 0.4019(20) 0.2089(10) 0.3139(13) 0.046(5) Uiso 1 d . .
H4D H 0.4982(25) 0.1173(12) 0.4189(15) 0.068(7) Uiso 1 d . .
H5D H 0.3703(21) 0.0647(11) 0.5068(15) 0.058(6) Uiso 1 d . .
H6D H 0.1400(22) 0.1010(11) 0.4883(15) 0.062(6) Uiso 1 d . .
HB1A H -0.3474(24) 0.5778(13) 0.3101(16) 0.078(7) Uiso 1 d . .
HB1B H -0.3406(43) 0.5084(23) 0.3851(29) 0.175(15) Uiso 1 d . .
HB2 H -0.4948(21) 0.4724(10) 0.4109(14) 0.056(6) Uiso 1 d . .
HB3 H -0.5512(21) 0.4873(11) 0.1838(14) 0.059(6) Uiso 1 d . .
HB4 H -0.2143(23) 0.4820(12) 0.2109(15) 0.069(6) Uiso 1 d . .
HB5 H -0.1436(22) 0.4703(11) 0.4368(15) 0.060(6) Uiso 1 d . .
HB6 H -0.3177(24) 0.3518(12) 0.4579(16) 0.074(7) Uiso 1 d . .
HB7 H -0.6033(25) 0.3633(13) 0.2774(16) 0.079(7) Uiso 1 d . .
HB8 H -0.4056(21) 0.3675(11) 0.1372(14) 0.058(6) Uiso 1 d . .
HB9 H -0.1188(23) 0.3531(11) 0.3187(15) 0.067(6) Uiso 1 d . .
HB10 H -0.3699(26) 0.2621(14) 0.2905(17) 0.087(8) 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 111.21(7) . . ?
C1C P1 C1B 110.14(7) . . ?
C1A P1 C1B 107.90(7) . . ?
C1C P1 C1D 107.95(7) . . ?
C1A P1 C1D 108.48(7) . . ?
C1B P1 C1D 111.16(7) . . ?
C6A C1A C2A 119.71(15) . . ?
C6A C1A P1 118.84(12) . . ?
C2A C1A P1 121.22(12) . . ?
C3A C2A C1A 119.8(2) . . ?
C3A C2A H2A 119.3(11) . . ?
C1A C2A H2A 120.9(11) . . ?
C4A C3A C2A 120.2(2) . . ?
C4A C3A H3A 121.1(14) . . ?
C2A C3A H3A 118.7(14) . . ?
C3A C4A C5A 120.3(2) . . ?
C3A C4A H4A 120.3(13) . . ?
C5A C4A H4A 119.3(13) . . ?
C4A C5A C6A 120.4(2) . . ?
C4A C5A H5A 122.0(13) . . ?
C6A C5A H5A 117.6(13) . . ?
C5A C6A C1A 119.5(2) . . ?
C5A C6A H6A 120.9(11) . . ?
C1A C6A H6A 119.6(11) . . ?
C6B C1B C2B 119.87(14) . . ?
C6B C1B P1 120.42(11) . . ?
C2B C1B P1 119.50(11) . . ?
C3B C2B C1B 119.7(2) . . ?
C3B C2B H2B 119.6(10) . . ?
C1B C2B H2B 120.7(10) . . ?
C4B C3B C2B 120.1(2) . . ?
C4B C3B H3B 122.9(12) . . ?
C2B C3B H3B 117.0(12) . . ?
C3B C4B C5B 120.4(2) . . ?
C3B C4B H4B 119.2(12) . . ?
C5B C4B H4B 120.4(12) . . ?
C4B C5B C6B 120.4(2) . . ?
C4B C5B H5B 121.5(13) . . ?
C6B C5B H5B 118.0(13) . . ?
C5B C6B C1B 119.4(2) . . ?
C5B C6B H6B 120.5(11) . . ?
C1B C6B H6B 120.1(11) . . ?
C2C C1C C6C 120.20(14) . . ?
C2C C1C P1 118.98(11) . . ?
C6C C1C P1 120.44(12) . . ?
C3C C2C C1C 120.0(2) . . ?
C3C C2C H2C 119.8(11) . . ?
C1C C2C H2C 120.2(11) . . ?
C2C C3C C4C 119.8(2) . . ?
C2C C3C H3C 120.6(12) . . ?
C4C C3C H3C 119.6(12) . . ?
C5C C4C C3C 120.4(2) . . ?
C5C C4C H4C 121.3(13) . . ?
C3C C4C H4C 118.3(13) . . ?
C4C C5C C6C 120.7(2) . . ?
C4C C5C H5C 118.9(13) . . ?
C6C C5C H5C 120.4(13) . . ?
C5C C6C C1C 119.0(2) . . ?
C5C C6C H6C 121.9(11) . . ?
C1C C6C H6C 119.1(11) . . ?
C2D C1D P1 113.84(10) . . ?
C2D C1D H1DA 112.8(10) . . ?
P1 C1D H1DA 107.1(10) . . ?
C2D C1D H1DB 112.2(11) . . ?
P1 C1D H1DB 102.6(11) . . ?
H1DA C1D H1DB 107.6(15) . . ?
C3D C2D C7D 119.11(15) . . ?
C3D C2D C1D 121.40(13) . . ?
C7D C2D C1D 119.48(14) . . ?
C4D C3D C2D 119.9(2) . . ?
C4D C3D H3D 121.3(11) . . ?
C2D C3D H3D 118.7(11) . . ?
C5D C4D C3D 120.6(2) . . ?
C5D C4D H4D 120.7(14) . . ?
C3D C4D H4D 118.7(14) . . ?
C6D C5D C4D 119.7(2) . . ?
C6D C5D H5D 120.6(13) . . ?
C4D C5D H5D 119.7(13) . . ?
C5D C6D C7D 120.3(2) . . ?
C5D C6D H6D 119.5(13) . . ?
C7D C6D H6D 120.2(13) . . ?
C6D C7D C2D 120.3(2) . . ?
C6D C7D H7D 120.7(11) . . ?
C2D C7D H7D 118.9(11) . . ?
B3 B1 B4 65.75(12) . . ?
B3 B1 B2 62.17(12) . . ?
B4 B1 B2 97.12(14) . . ?
B3 B1 B5 97.19(14) . . ?
B4 B1 B5 61.27(12) . . ?
B2 B1 B5 66.89(12) . . ?
B3 B1 HB1A 128.5(12) . . ?
B4 B1 HB1A 129.2(12) . . ?
B2 B1 HB1A 133.5(12) . . ?
B5 B1 HB1A 134.1(12) . . ?
B3 B1 HB1B 111.5(23) . . ?
B4 B1 HB1B 118.6(22) . . ?
B2 B1 HB1B 49.3(22) . . ?
B5 B1 HB1B 58.4(22) . . ?
HB1A B1 HB1B 101.1(25) . . ?
B1 B2 B7 112.04(14) . . ?
B1 B2 B3 57.64(11) . . ?
B7 B2 B3 59.32(12) . . ?
B1 B2 B6 110.27(14) . . ?
B7 B2 B6 61.80(13) . . ?
B3 B2 B6 101.92(13) . . ?
B1 B2 B5 56.66(11) . . ?
B7 B2 B5 99.97(13) . . ?
B3 B2 B5 88.48(12) . . ?
B6 B2 B5 57.15(12) . . ?
B1 B2 HB1B 38.8(18) . . ?
B7 B2 HB1B 145.0(18) . . ?
B3 B2 HB1B 96.5(18) . . ?
B6 B2 HB1B 104.5(18) . . ?
B5 B2 HB1B 51.0(18) . . ?
B1 B2 HB2 121.5(10) . . ?
B7 B2 HB2 119.7(10) . . ?
B3 B2 HB2 134.9(10) . . ?
B6 B2 HB2 116.8(10) . . ?
B5 B2 HB2 131.2(10) . . ?
HB1B B2 HB2 95.3(20) . . ?
B1 B3 B7 114.91(15) . . ?
B1 B3 B2 60.19(11) . . ?
B7 B3 B2 59.94(12) . . ?
B1 B3 B8 112.36(14) . . ?
B7 B3 B8 61.00(12) . . ?
B2 B3 B8 103.14(13) . . ?
B1 B3 B4 57.29(11) . . ?
B7 B3 B4 101.25(13) . . ?
B2 B3 B4 90.98(12) . . ?
B8 B3 B4 58.39(10) . . ?
B1 B3 HB3 115.4(11) . . ?
B7 B3 HB3 121.8(11) . . ?
B2 B3 HB3 130.9(11) . . ?
B8 B3 HB3 120.2(11) . . ?
B4 B3 HB3 129.9(11) . . ?
B1 B4 B5 60.60(12) . . ?
B1 B4 B9 115.27(15) . . ?
B5 B4 B9 60.31(12) . . ?
B1 B4 B8 112.77(14) . . ?
B5 B4 B8 103.62(14) . . ?
B9 B4 B8 60.33(11) . . ?
B1 B4 B3 56.96(11) . . ?
B5 B4 B3 91.55(12) . . ?
B9 B4 B3 101.33(13) . . ?
B8 B4 B3 59.16(11) . . ?
B1 B4 HB4 115.9(12) . . ?
B5 B4 HB4 130.7(12) . . ?
B9 B4 HB4 121.5(12) . . ?
B8 B4 HB4 119.5(12) . . ?
B3 B4 HB4 129.8(12) . . ?
B1 B5 B4 58.13(12) . . ?
B1 B5 B9 112.79(14) . . ?
B4 B5 B9 60.02(12) . . ?
B1 B5 B6 110.25(14) . . ?
B4 B5 B6 102.16(14) . . ?
B9 B5 B6 61.01(12) . . ?
B1 B5 B2 56.45(10) . . ?
B4 B5 B2 88.99(12) . . ?
B9 B5 B2 99.93(13) . . ?
B6 B5 B2 57.34(11) . . ?
B1 B5 HB1B 38.4(16) . . ?
B4 B5 HB1B 95.9(16) . . ?
B9 B5 HB1B 139.1(16) . . ?
B6 B5 HB1B 97.5(16) . . ?
B2 B5 HB1B 43.3(16) . . ?
B1 B5 HB5 118.3(11) . . ?
B4 B5 HB5 133.6(11) . . ?
B9 B5 HB5 122.2(11) . . ?
B6 B5 HB5 119.1(11) . . ?
B2 B5 HB5 130.0(11) . . ?
HB1B B5 HB5 98.5(19) . . ?
B10 B6 B5 111.6(2) . . ?
B10 B6 B2 111.1(2) . . ?
B5 B6 B2 65.51(12) . . ?
B10 B6 B9 56.32(12) . . ?
B5 B6 B9 59.34(12) . . ?
B2 B6 B9 104.47(14) . . ?
B10 B6 B7 56.00(13) . . ?
B5 B6 B7 103.59(14) . . ?
B2 B6 B7 58.64(12) . . ?
B9 B6 B7 88.89(13) . . ?
B10 B6 HB6 118.4(12) . . ?
B5 B6 HB6 120.9(12) . . ?
B2 B6 HB6 118.3(12) . . ?
B9 B6 HB6 132.8(12) . . ?
B7 B6 HB6 129.5(12) . . ?
B10 B7 B3 113.58(15) . . ?
B10 B7 B2 113.5(2) . . ?
B3 B7 B2 60.74(11) . . ?
B10 B7 B8 57.78(12) . . ?
B3 B7 B8 60.48(11) . . ?
B2 B7 B8 103.34(13) . . ?
B10 B7 B6 57.67(13) . . ?
B3 B7 B6 101.35(13) . . ?
B2 B7 B6 59.57(12) . . ?
B8 B7 B6 89.76(13) . . ?
B10 B7 HB7 121.7(12) . . ?
B3 B7 HB7 116.8(12) . . ?
B2 B7 HB7 115.6(12) . . ?
B8 B7 HB7 132.6(12) . . ?
B6 B7 HB7 132.6(12) . . ?
B10 B8 B4 111.5(2) . . ?
B10 B8 B9 56.92(13) . . ?
B4 B8 B9 59.63(11) . . ?
B10 B8 B3 110.69(15) . . ?
B4 B8 B3 62.45(11) . . ?
B9 B8 B3 103.17(13) . . ?
B10 B8 B7 56.60(13) . . ?
B4 B8 B7 102.38(13) . . ?
B9 B8 B7 90.31(13) . . ?
B3 B8 B7 58.51(11) . . ?
B10 B8 HB8 121.4(11) . . ?
B4 B8 HB8 118.4(11) . . ?
B9 B8 HB8 131.5(10) . . ?
B3 B8 HB8 118.3(10) . . ?
B7 B8 HB8 131.7(11) . . ?
B10 B9 B4 113.1(2) . . ?
B10 B9 B5 113.5(2) . . ?
B4 B9 B5 59.67(12) . . ?
B10 B9 B8 58.19(13) . . ?
B4 B9 B8 60.04(11) . . ?
B5 B9 B8 102.94(13) . . ?
B10 B9 B6 58.09(13) . . ?
B4 B9 B6 100.95(13) . . ?
B5 B9 B6 59.65(12) . . ?
B8 B9 B6 90.96(13) . . ?
B10 B9 HB9 121.2(11) . . ?
B4 B9 HB9 118.5(11) . . ?
B5 B9 HB9 115.8(11) . . ?
B8 B9 HB9 133.0(11) . . ?
B6 B9 HB9 130.9(11) . . ?
B9 B10 B7 100.7(2) . . ?
B9 B10 B8 64.89(13) . . ?
B7 B10 B8 65.63(14) . . ?
B9 B10 B6 65.59(14) . . ?
B7 B10 B6 66.34(14) . . ?
B8 B10 B6 99.3(2) . . ?
B9 B10 HB10 129.1(13) . . ?
B7 B10 HB10 130.1(13) . . ?
B8 B10 HB10 129.9(13) . . ?
B6 B10 HB10 130.7(13) . . ?
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 1.7876(14) . ?
P1 C1A 1.7936(15) . ?
P1 C1B 1.7944(14) . ?
P1 C1D 1.813(2) . ?
C1A C6A 1.392(2) . ?
C1A C2A 1.395(2) . ?
C2A C3A 1.386(2) . ?
C2A H2A 1.00(2) . ?
C3A C4A 1.370(3) . ?
C3A H3A 0.96(2) . ?
C4A C5A 1.382(3) . ?
C4A H4A 0.96(2) . ?
C5A C6A 1.386(2) . ?
C5A H5A 0.96(2) . ?
C6A H6A 0.94(2) . ?
C1B C6B 1.394(2) . ?
C1B C2B 1.401(2) . ?
C2B C3B 1.388(2) . ?
C2B H2B 0.97(2) . ?
C3B C4B 1.377(3) . ?
C3B H3B 0.97(2) . ?
C4B C5B 1.383(3) . ?
C4B H4B 0.95(2) . ?
C5B C6B 1.389(2) . ?
C5B H5B 0.91(2) . ?
C6B H6B 0.93(2) . ?
C1C C2C 1.393(2) . ?
C1C C6C 1.399(2) . ?
C2C C3C 1.385(2) . ?
C2C H2C 0.94(2) . ?
C3C C4C 1.385(3) . ?
C3C H3C 0.97(2) . ?
C4C C5C 1.381(3) . ?
C4C H4C 0.97(2) . ?
C5C C6C 1.386(2) . ?
C5C H5C 0.95(2) . ?
C6C H6C 0.96(2) . ?
C1D C2D 1.504(2) . ?
C1D H1DA 0.96(2) . ?
C1D H1DB 0.99(2) . ?
C2D C3D 1.392(2) . ?
C2D C7D 1.397(2) . ?
C3D C4D 1.387(2) . ?
C3D H3D 0.98(2) . ?
C4D C5D 1.384(3) . ?
C4D H4D 0.94(2) . ?
C5D C6D 1.379(3) . ?
C5D H5D 0.95(2) . ?
C6D C7D 1.383(3) . ?
C6D H6D 0.97(2) . ?
C7D H7D 1.00(2) . ?
B1 B3 1.726(3) . ?
B1 B4 1.732(3) . ?
B1 B2 1.773(3) . ?
B1 B5 1.777(3) . ?
B1 HB1A 1.12(2) . ?
B1 HB1B 1.11(4) . ?
B2 B7 1.792(3) . ?
B2 B3 1.807(3) . ?
B2 B6 1.810(3) . ?
B2 B5 1.956(3) . ?
B2 HB1B 1.35(4) . ?
B2 HB2 1.13(2) . ?
B3 B7 1.781(3) . ?
B3 B8 1.818(3) . ?
B3 B4 1.877(3) . ?
B3 HB3 1.08(2) . ?
B4 B5 1.789(3) . ?
B4 B9 1.795(3) . ?
B4 B8 1.803(3) . ?
B4 HB4 1.10(2) . ?
B5 B9 1.800(3) . ?
B5 B6 1.806(3) . ?
B5 HB1B 1.52(4) . ?
B5 HB5 1.12(2) . ?
B6 B10 1.707(3) . ?
B6 B9 1.831(3) . ?
B6 B7 1.850(3) . ?
B6 HB6 1.09(2) . ?
B7 B10 1.674(3) . ?
B7 B8 1.827(3) . ?
B7 HB7 1.11(2) . ?
B8 B10 1.697(3) . ?
B8 B9 1.808(3) . ?
B8 HB8 1.11(2) . ?
B9 B10 1.673(3) . ?
B9 HB9 1.14(2) . ?
B10 HB10 1.12(3) . ?
