data_2010486
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  188
_journal_page_last  190
_publ_section_title
;
Cs[B~10~CH~13~] at 293 K
;
loop_
_publ_author_name
  'Whitaker, Claire R.'
  'Romerosa, Antonio'
  'Teixidor, Francesc'
  'Rius, Jordi'
_chemical_formula_sum  'C1 H13 B10 Cs1'
_chemical_formula_weight  266.11
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/a'
_symmetry_space_group_name_Hall  '-P 2yab'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2+y,-z'
_cell_length_a  12.1620(10)
_cell_length_b  10.6470(10)
_cell_length_c  7.9850(10)
_cell_angle_alpha  90.0
_cell_angle_beta  92.441(5)
_cell_angle_gamma  90.0
_cell_volume  1033.1(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.71
_refine_ls_R_factor_obs  0.042
_refine_ls_wR_factor_obs  0.051
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Cs .51065(3) .24381(3) .15785(4) .0414
  B1 .2495(4) -.0280(5) .8123(7) .0322
  B2 .1615(4) -.0199(5) .6295(7) .0346
  B3 .1323(4) .0688(5) .8111(8) .0337
  B4 .2555(5) .1254(5) .9028(7) .0314
  B5 .3630(4) .0692(5) .7798(7) .0318
  B6 .3043(5) -.0197(5) .6061(7) .0332
  C7 .1246(4) .1338(5) .6194(7) .0358
  B8 .1745(5) .2254(6) .7683(8) .0314
  B9 .3267(5) .2286(5) .7691(8) .0334
  B10 .3582(5) .1342(6) .5796(8) .0377
  B11 .2195(5) .0899(6) .4917(7) .0405
  H1 .259(4)  -.118(5)  .896(7)  3.16
  H2 .110(4)  -.088(5)  .575(7)  3.40
  H3 .060(4)  .059(5)  .870(6)  3.32
  H4 .263(4)  .140(5)  1.056(7)  3.08
  H5 .441(4)  .041(5)  .847(6)  3.08
  H6 .339(4)  -.111(5)  .560(6)  3.32
  HC7 .044(4)  .153(5)  .562(6)  3.55
  H8 .131(5)  .283(5)  .814(8)  3.00
  H91 .384(4)  .313(5)  .839(6)  3.16
  H92 .2595 .2850 .6976 3.16
  H10 .439(4)  .165(5)  .540(7)  3.71
  H111 .196(4)  .093(5)  .351(7)  4.03
  H112 .2866 .1964 .4920 4.03
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  B2 B1 . . 1.775(8) yes
  B3 B1 . . 1.758(7) yes
  B4 B1 . . 1.786(7) yes
  B5 B1 . . 1.753(7) yes
  B6 B1 . . 1.805(8) yes
  B3 B2 . . 1.778(8) yes
  B6 B2 . . 1.755(7) yes
  C7 B2 . . 1.698(7) yes
  B11 B2 . . 1.772(8) yes
  B4 B3 . . 1.747(8) yes
  C7 B3 . . 1.679(8) yes
  B8 B3 . . 1.782(8) yes
  B5 B4 . . 1.772(8) yes
  B8 B4 . . 1.780(8) yes
  B9 B4 . . 1.782(8) yes
  B6 B5 . . 1.802(8) yes
  B9 B5 . . 1.754(8) yes
  B10 B5 . . 1.741(8) yes
  B10 B6 . . 1.780(8) yes
  B11 B6 . . 1.783(9) yes
  B8 C7 . . 1.635(8) yes
  B11 C7 . . 1.640(8) yes
  B9 B8 . . 1.852(8) yes
  B10 B9 . . 1.870(9) yes
  B11 B10 . . 1.860(8) yes
  H1 B1 . . 1.17(5)  no
  H2 B2 . . 1.04(5)  no
  H3 B3 . . 1.02(5)  no
  H4 B4 . . 1.23(5)  no
  H5 B5 . . 1.11(5)  no
  H6 B6 . . 1.12(5)  no
  HC7 C7 . . 1.08(5)  no
  H8 B8 . . 0.89(5)  no
  H92 B8 . . 1.356(6) no
  H91 B9 . . 1.25(5)  no
  H92 B9 . . 1.147(6) no
  H10 B10 . . 1.10(5)  no
  H112 B10 . . 1.278(6) no
  H111 B11 . . 1.15(6)  no
  H112 B11 . . 1.397(6) no