#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000761.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_2000761
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1260
_journal_page_last  1262
loop_
_publ_author_name
 'Hodgkins, T.G.'
 'Powell, D.R.'
_chemical_formula_sum  'C6 H9 B2 Br1 N4'
_chemical_formula_weight  238.7
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.756(2)
_cell_length_b  13.012(4)
_cell_length_c  10.931(4)
_cell_angle_alpha  90.
_cell_angle_beta  91.50(2)
_cell_angle_gamma  90.
_cell_volume  960.6(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.650
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  472
_exptl_absorpt_coefficient_mu  5.51
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) -.1395(7) .1011(4) .6371(5) .0299(15)
 C(2) .0398(8) .1185(3) .5821(6) .0343(17)
 C(3) .1589(6) .1630(3) .6719(4) .0323(15)
 N(3a) .0561(4) .1735(3) .7736(3) .0232(11)
 B(4) .1126(7) .2274(4) .8939(5) .0261(15)
 N(4a) .0096(5) .1689(3) .9956(3) .0257(11)
 C(5) .0714(8) .1476(4) 1.1114(5) .0354(16)
 C(6) -.0692(8) .0930(4) 1.1678(5) .0407(18)
 C(7) -.2204(7) .0804(3) 1.0805(4) .0357(16)
 N(7a) -.1714(5) .1261(2) .9768(4) .0253120
 B(8) -.2885(7) .1390(4) .8519(6) .0326(18)
 N(8a) -.1283(5) .1349(2) .7525(4) .0247(12)
 Br(1) .00165(6) .37598(3) .88390(4) .0313(3)
 H(4) .256(6) .235(3) .898(4) .0032(4)
 H(8a) -.399(6) .074(4) .854(4) .0032(4)
 H(8b) -.363(6) .207(3) .863(4) .0032(4)
 H(1) -.254 .070 .599 .032(4)
 H(2) .074 .103 .499 .032(4)
 H(3) .295 .183 .663 .032(4)
 H(6) -.066 .069 1.251 .032(4)
 H(7) -.342 .045 1.093 .032(4)