#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012681.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_2012681
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m307
_journal_page_last  m309
_publ_section_title
;
Intermolecular interactions in cyanodimethylarsine and -stibine
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Britton, Doyle'
  'Young Jr, Victor G.'
  'Schlemper, Elmer O.'
_chemical_formula_moiety  '[Sb (C H3)2 C N]'
_chemical_formula_sum  'C3 H6 N Sb'
_chemical_formula_weight  177.84
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  11.313(7)
_cell_length_b  6.175(4)
_cell_length_c  16.701(11)
_cell_angle_alpha  90
_cell_angle_beta  109.673(9)
_cell_angle_gamma  90
_cell_volume  1098.6(12)
_cell_formula_units_Z  8
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  2.150
_diffrn_ambient_temperature  173(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_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Sb1 0.83284(5) 0.07875(15) 0.42951(3) 0.0246(2) Uani d . 1 . . Sb
  C1 0.8225(12) -0.2804(14) 0.4146(5) 0.035(2) Uani d . 1 . . C
  N1 0.8214(12) -0.4601(14) 0.4109(6) 0.047(2) Uani d . 1 . . N
  C2 0.6378(9) 0.1055(17) 0.3533(7) 0.042(2) Uani d . 1 . . C
  H2A 0.6217 0.0218 0.3009 0.064 Uiso calc R 1 . . H
  H2B 0.6169 0.2579 0.3392 0.064 Uiso calc R 1 . . H
  H2C 0.5860 0.0489 0.3853 0.064 Uiso calc R 1 . . H
  C3 0.9041(10) 0.1064(19) 0.3243(6) 0.041(2) Uani d . 1 . . C
  H3A 0.8823 0.2490 0.2977 0.061 Uiso calc R 1 . . H
  H3B 0.8665 -0.0068 0.2823 0.061 Uiso calc R 1 . . H
  H3C 0.9956 0.0894 0.3456 0.061 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
  Sb1 0.0280(3) 0.0167(3) 0.0271(3) 0.0003(3) 0.0068(3) -0.00020(18)
  C1 0.060(6) 0.015(4) 0.036(4) 0.018(5) 0.024(5) 0.001(3)
  N1 0.054(5) 0.023(6) 0.061(5) -0.005(5) 0.016(5) 0.002(4)
  C2 0.032(5) 0.035(5) 0.054(6) -0.002(4) 0.006(4) -0.014(5)
  C3 0.055(6) 0.031(5) 0.045(6) 0.006(4) 0.030(5) 0.000(4)
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
  Sb1 C2 . 2.150(10) ?
  Sb1 C3 . 2.172(9) ?
  Sb1 C1 . 2.230(9) ?
  C1 N1 . 1.112(12) ?
  C2 H2A . 0.9800 ?
  C2 H2B . 0.9800 ?
  C2 H2C . 0.9800 ?
  C3 H3A . 0.9800 ?
  C3 H3B . 0.9800 ?
  C3 H3C . 0.9800 ?
_cod_database_code 2012681