data_2005316
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2221
_journal_page_last  2222
_publ_section_title
;
Redetermination of 1,7-Diphenyl-1,7-dicarba-closo-dodecaborane(12)
;
_chemical_formula_moiety  'C14 H20 B10'
_chemical_formula_sum  'C14 H20 B10'
_chemical_formula_structural  '(C6 H5)2 (C2 B10 H10)'
_chemical_formula_weight  296.40
_symmetry_cell_setting  Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M  'P 21/n'
_cell_length_a  10.8980(13)
_cell_length_b  7.6993(6)
_cell_length_c  20.713(2)
_cell_angle_alpha  90.00
_cell_angle_beta  103.971(8)
_cell_angle_gamma  90.00
_cell_volume  1686.6(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.167
_cell_measurement_temperature  293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1 1 -0.0264(2) 0.4434(3) 0.15469(10) 0.0402(5)
 B2 1 -0.0955(2) 0.2469(3) 0.13132(11) 0.0428(6)
 H2 1 -0.0430(2) 0.1242(3) 0.13338(11) 0.055(6)
 B3 1 -0.0890(2) 0.4099(3) 0.07179(12) 0.0409(6)
 H3 1 -0.0323(2) 0.3927(3) 0.03493(12) 0.047(6)
 B4 1 -0.1033(3) 0.6141(4) 0.10786(14) 0.0524(7)
 H4 1 -0.0557(3) 0.7306(4) 0.09509(14) 0.071(8)
 B5 1 -0.1195(3) 0.5758(4) 0.1905(2) 0.0573(8)
 H5 1 -0.0823(3) 0.6677(4) 0.2312(2) 0.068(7)
 B6 1 -0.1150(3) 0.3486(4) 0.20431(13) 0.0523(7)
 H6 1 -0.0748(3) 0.2935(4) 0.25392(13) 0.054(6)
 C7 1 -0.2257(2) 0.3010(3) 0.06970(10) 0.0419(5)
 B8 1 -0.2348(3) 0.5203(4) 0.0517(2) 0.0541(7)
 H8 1 -0.2742(3) 0.5747(4) 0.0019(2) 0.074(8)
 B9 1 -0.2542(3) 0.6222(4) 0.1256(2) 0.0702(10)
 H9 1 -0.3061(3) 0.7452(4) 0.1242(2) 0.101(10)
 B10 1 -0.2617(3) 0.4583(5) 0.1847(2) 0.0656(9)
 H10 1 -0.3186(3) 0.4740(5) 0.2216(2) 0.089(9)
 B11 1 -0.2469(3) 0.2540(4) 0.14776(13) 0.0530(7)
 H11 1 -0.2943(3) 0.1364(4) 0.15972(13) 0.065(7)
 B12 1 -0.3325(3) 0.4246(4) 0.0991(2) 0.0598(8)
 H12 1 -0.4357(3) 0.4176(4) 0.0798(2) 0.073(8)
 C13 1 -0.2699(2) 0.1747(3) 0.01281(10) 0.0439(5)
 C14 1 -0.3924(3) 0.1737(4) -0.02450(13) 0.0675(8)
 H14A 1 -0.4503(3) 0.2519(4) -0.01457(13) 0.081
 C15 1 -0.4312(3) 0.0584(4) -0.0767(2) 0.0802(9)
 H15A 1 -0.5148(3) 0.0601(4) -0.1013(2) 0.096
 C16 1 -0.3487(3) -0.0575(4) -0.09244(14) 0.0703(8)
 H16A 1 -0.3752(3) -0.1349(4) -0.12752(14) 0.084
 C17 1 -0.2270(3) -0.0580(4) -0.05596(15) 0.0777(9)
 H17A 1 -0.1696(3) -0.1364(4) -0.06621(15) 0.093
 C18 1 -0.1879(3) 0.0565(4) -0.00398(14) 0.0677(8)
 H18A 1 -0.1041(3) 0.0539(4) 0.02036(14) 0.081
 C19 1 0.1167(2) 0.4520(3) 0.17884(11) 0.0425(5)
 C20 1 0.1897(2) 0.5056(4) 0.13637(12) 0.0550(6)
 H20A 1 0.1509(2) 0.5380(4) 0.09299(12) 0.066
 C21 1 0.3201(2) 0.5111(4) 0.15818(15) 0.0654(8)
 H21A 1 0.3686(2) 0.5475(4) 0.12941(15) 0.078
 C22 1 0.3780(3) 0.4632(3) 0.2217(2) 0.0660(8)
 H22A 1 0.4657(3) 0.4655(3) 0.2360(2) 0.079
 C23 1 0.3066(3) 0.4118(4) 0.2643(2) 0.0691(8)
 H23A 1 0.3459(3) 0.3806(4) 0.3077(2) 0.083
 C24 1 0.1763(2) 0.4062(3) 0.24295(13) 0.0574(7)
 H24A 1 0.1285(2) 0.3711(3) 0.27221(13) 0.069