#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011257.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_2011257
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e366
_journal_page_last  e367
_publ_section_title
;
[2-(1H-Inden-3-yl)ethyl]diphenylphosphine--borane
;
loop_
_publ_author_name
  "Groux, Laurent F."
  "Zargarian, Davit"
_chemical_formula_moiety  'C23 H24 B P'
_chemical_formula_sum  'C23 H24 B P'
_chemical_formula_weight  342.20
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
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'
_cell_length_a  14.061(5)
_cell_length_b  6.644(3)
_cell_length_c  21.018(10)
_cell_angle_alpha  90.00
_cell_angle_beta  96.82(3)
_cell_angle_gamma  90.00
_cell_volume  1949.6(15)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.166
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  P  .13829(5)  .25277(12)  .35401(3)  .03620(17) Uani d . 1 . P
  C1  .29270(17)  .0324(4)  .21444(11)  .0370(7) Uani d . 1 . C
  C2  .25599(19)  -.1417(4)  .19081(12)  .0513(8) Uani d . 1 . C
  H2  .1970  -.1934  .1986  .062 Uiso calc R 1 . H
  C3  .32279(19)  -.2424(5)  .15005(13)  .0590(8) Uani d . 1 . C
  H3A  .3419  -.3742  .1669  .071 Uiso calc R 1 . H
  H3B  .2932  -.2568  .1062  .071 Uiso calc R 1 . H
  C3A  .40640(19)  -.1021(4)  .15402(12)  .0426(7) Uani d . 1 . C
  C4  .4908(2)  -.1135(5)  .12724(12)  .0524(8) Uani d . 1 . C
  H4  .5036  -.2227  .1019  .063 Uiso calc R 1 . H
  C5  .5562(2)  .0407(5)  .13884(13)  .0605(10) Uani d . 1 . C
  H5  .6138  .0351  .1212  .073 Uiso calc R 1 . H
  C6  .5372(2)  .2041(5)  .17643(13)  .0586(9) Uani d . 1 . C
  H6  .5819  .3073  .1835  .070 Uiso calc R 1 . H
  C7  .45208(17)  .2149(4)  .20358(12)  .0464(8) Uani d . 1 . C
  H7  .4396  .3239  .2291  .056 Uiso calc R 1 . H
  C7A  .38650(17)  .0616(4)  .19207(11)  .0353(7) Uani d . 1 . C
  C8  .25431(16)  .1731(4)  .25996(11)  .0413(7) Uani d . 1 . C
  H8A  .2430  .3022  .2389  .050 Uiso calc R 1 . H
  H8B  .3030  .1930  .2962  .050 Uiso calc R 1 . H
  C9  .16198(16)  .1070(4)  .28537(10)  .0392(7) Uani d . 1 . C
  H9A  .1669  -.0341  .2971  .047 Uiso calc R 1 . H
  H9B  .1089  .1217  .2518  .047 Uiso calc R 1 . H
  C11  .23363(16)  .1925(4)  .41676(11)  .0351(7) Uani d . 1 . C
  C12  .27399(18)  .0011(4)  .42402(13)  .0476(8) Uani d . 1 . C
  H12  .2520  -.1008  .3957  .057 Uiso calc R 1 . H
  C13  .3461(2)  -.0390(5)  .47265(14)  .0588(9) Uani d . 1 . C
  H13  .3731  -.1668  .4762  .071 Uiso calc R 1 . H
  C14  .3783(2)  .1064(6)  .51574(14)  .0644(10) Uani d . 1 . C
  H14  .4264  .0781  .5488  .077 Uiso calc R 1 . H
  C15  .3385(2)  .2956(5)  .50947(14)  .0667(11) Uani d . 1 . C
  H15  .3599  .3957  .5386  .080 Uiso calc R 1 . H
  C16  .26703(19)  .3386(4)  .46049(13)  .0524(8) Uani d . 1 . C
  H16  .2411  .4675  .4569  .063 Uiso calc R 1 . H
  C21  .03106(17)  .1578(4)  .38258(12)  .0376(7) Uani d . 1 . C
  C22  -.00707(18)  .2558(5)  .43068(12)  .0630(9) Uani d . 1 . C
  H22  .0207  .3761  .4460  .076 Uiso calc R 1 . H
  C23  -.0850(2)  .1835(5)  .45732(15)  .0738(11) Uani d . 1 . C
  H23  -.1098  .2555  .4895  .089 Uiso calc R 1 . H
  C24  -.1258(2)  .0041(6)  .43607(15)  .0647(10) Uani d . 1 . C
  H24  -.1777  -.0480  .4543  .078 Uiso calc R 1 . H
  C25  -.08946(19)  -.0959(5)  .38820(14)  .0613(9) Uani d . 1 . C
  H25  -.1176  -.2161  .3732  .074 Uiso calc R 1 . H
  C26  -.01139(18)  -.0229(4)  .36131(13)  .0501(8) Uani d . 1 . C
  H26  .0129  -.0948  .3289  .060 Uiso calc R 1 . H
  B  .1305(2)  .5365(4)  .33603(16)  .0559(10) Uani d . 1 . B
  HBA  .1159  .6183  .3793  .084 Uiso calc R 1 . H
  HBB  .0724  .5649  .2973  .084 Uiso calc R 1 . H
  HBC  .1988  .5887  .3212  .084 Uiso calc R 1 . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  P  .0372(4)  .0318(4)  .0411(4)  .0017(4)  .0106(3)  -.0018(4)
  C1  .0374(15)  .0400(17)  .0347(15)  .0016(14)  .0084(12)  -.0013(14)
  C2  .0469(18)  .053(2)  .057(2)  -.0090(16)  .0182(15)  -.0117(17)
  C3  .066(2)  .0493(19)  .064(2)  -.001(2)  .0165(16)  -.013(2)
  C3A  .0412(16)  .0482(19)  .0387(16)  .0049(15)  .0062(13)  -.0020(15)
  C4  .0532(19)  .055(2)  .0504(19)  .0123(17)  .0140(15)  -.0041(17)
  C5  .0437(18)  .088(3)  .053(2)  .0091(19)  .0170(15)  .003(2)
  C6  .0509(19)  .065(3)  .062(2)  -.0117(17)  .0162(15)  -.0048(18)
  C7  .0468(17)  .046(2)  .0477(17)  -.0033(15)  .0116(13)  -.0050(15)
  C7A  .0356(15)  .0379(18)  .0325(15)  .0034(13)  .0042(12)  .0003(13)
  C8  .0442(16)  .0395(17)  .0427(17)  -.0020(14)  .0156(13)  -.0043(14)
  C9  .0419(16)  .0417(17)  .0351(15)  .0039(14)  .0096(12)  -.0015(14)
  C11  .0326(14)  .0375(18)  .0364(15)  -.0039(12)  .0088(12)  -.0004(13)
  C12  .0466(18)  .043(2)  .0514(19)  .0032(16)  -.0003(14)  -.0052(16)
  C13  .051(2)  .063(2)  .061(2)  .0110(18)  .0013(16)  .0062(19)
  C14  .0446(19)  .099(3)  .048(2)  -.009(2)  -.0018(15)  .012(2)
  C15  .071(2)  .071(3)  .055(2)  -.024(2)  -.0047(17)  -.0161(19)
  C16  .058(2)  .0452(19)  .054(2)  -.0072(16)  .0045(16)  -.0082(16)
  C21  .0304(14)  .0434(18)  .0405(16)  .0065(13)  .0104(12)  .0011(14)
  C22  .0549(19)  .072(2)  .067(2)  -.010(2)  .0268(16)  -.025(2)
  C23  .059(2)  .099(3)  .070(2)  .004(2)  .0336(18)  -.018(2)
  C24  .0387(18)  .091(3)  .067(2)  .000(2)  .0172(16)  .020(2)
  C25  .0466(19)  .061(2)  .078(2)  -.0104(18)  .0140(17)  .008(2)
  C26  .0445(18)  .048(2)  .060(2)  .0007(16)  .0164(15)  -.0022(17)
  B  .073(3)  .028(2)  .067(3)  .0080(19)  .012(2)  .0018(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  P C9 . 1.801(2) y
  P C21 . 1.802(2) y
  P C11 . 1.810(3) y
  P B . 1.923(3) y
  C1 C2 . 1.338(3) y
  C1 C7A . 1.465(3) y
  C1 C8 . 1.484(3) y
  C2 C3 . 1.502(3) y
  C2 H2 .  .9300 ?
  C3 C3A . 1.495(3) y
  C3 H3A .  .9700 ?
  C3 H3B .  .9700 ?
  C3A C4 . 1.375(3) y
  C3A C7A . 1.398(3) y
  C4 C5 . 1.378(4) y
  C4 H4 .  .9300 ?
  C5 C6 . 1.387(4) y
  C5 H5 .  .9300 ?
  C6 C7 . 1.388(3) y
  C6 H6 .  .9300 ?
  C7 C7A . 1.376(3) y
  C7 H7 .  .9300 ?
  C8 C9 . 1.526(3) y
  C8 H8A .  .9700 ?
  C8 H8B .  .9700 ?
  C9 H9A .  .9700 ?
  C9 H9B .  .9700 ?
  C11 C16 . 1.380(3) y
  C11 C12 . 1.393(3) y
  C12 C13 . 1.377(3) y
  C12 H12 .  .9300 ?
  C13 C14 . 1.364(4) y
  C13 H13 .  .9300 ?
  C14 C15 . 1.376(4) y
  C14 H14 .  .9300 ?
  C15 C16 . 1.380(4) y
  C15 H15 .  .9300 ?
  C16 H16 .  .9300 ?
  C21 C22 . 1.364(3) y
  C21 C26 . 1.391(3) y
  C22 C23 . 1.374(3) y
  C22 H22 .  .9300 ?
  C23 C24 . 1.374(4) y
  C23 H23 .  .9300 ?
  C24 C25 . 1.355(4) y
  C24 H24 .  .9300 ?
  C25 C26 . 1.381(3) y
  C25 H25 .  .9300 ?
  C26 H26 .  .9300 ?
  B HBA . 1.1000 ?
  B HBB . 1.1000 ?
  B HBC . 1.1000 ?