#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000291.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_2000291
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1539
_journal_page_last  1541
loop_
_publ_author_name
 'Rong, M.'
 'Muir, M.M.'
 'Cadiz, M.E.'
 'Muir, J.A.'
_chemical_formula_sum  'C10 H7 Br2 N3 S Pt'
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  10.090(3)
_cell_length_b  7.578(6)
_cell_length_c  16.454(5)
_cell_angle_alpha  90
_cell_angle_beta  103.920(10)
_cell_angle_gamma  90
_cell_volume  1221.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  3.028
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1008
_exptl_absorpt_coefficient_mu  18.259
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Pt .09479(5) .71983(7) .06492(3) 2.085(9)
 Br1 .3386(2) .7518(2) .11090(10)
     3.79(4)
 Br2 .0927(2) .5909(2) .19866(9) 3.76(4)
 S -.3651(4) .6769(6) -.0034(3) 3.80(9)
 N1 -.1100(10)
 .704(2) .0247(7) 2.6(2)
 N2 .0720(10)
   .8150(10)
  -.0535(7) 2.4(2)
 N3 -.0680(10)
 .8860(10)
   -.1730(7) 2.4(2)
 C1 -.2050(10)
 .658(2) .0610(10)
  3.3(3)
 C2 -.300(2) .755(2) -.0820(10)
   3.3(3)
 C3 -.1620(10)
 .762(2) -.0575(8) 2.0(2)
 C4 -.0590(10)
 .820(2) -.0970(8) 2.1(3)
 C5 .0590(10)
   .925(2) -.1825(8) 2.3(3)
 C6 .1490(10)
   .876(2) -.1056(8) 2.4(3)
 C7 .2910(10)
   .902(2) -.0940(8) 2.6(3)
 C8 .3350(10)
   .976(2) -.1581(9) 3.4(3)
 C9 .2450(10)
   1.026(2) -.2334(9) 3.6(4)
 C10 .106(2) 1.002(2) -.2461(9) 3.3(3)
 H1 -.189 .624 .118 3.8
 H2 -.353 .790 -.136 3.8
 H3 -.151 .901 -.214 3.2
 H7 .354 .868 -.044 3.6
 H8 .430 .996 -.152 4.2
 H9 .281 1.078 -.276 4.5
 H10 .046 1.036 -.297 4.2