#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000840.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_2000840
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1099
_journal_page_last  1101
loop_
_publ_author_name
 'Rogers, R.D.'
 'Henry, R.F.'
_chemical_formula_sum  'C16 H36 Cl6 O10 Pr2'
_chemical_formula_weight  882.99
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  8.564(5)
_cell_length_b  9.439(9)
_cell_length_c  9.566(5)
_cell_angle_alpha  86.01(9)
_cell_angle_beta  72.30(6)
_cell_angle_gamma  78.09(9)
_cell_volume  720.8
_cell_formula_units_Z  1
_exptl_crystal_density_diffrn  2.03
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  432
_exptl_absorpt_coefficient_mu  3.93
_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
 Pr .00723(6) .29726(5) .66427(5)
 Cl(1) .0673(3) .5995(2) .6067(2)
 Cl(2) -.3032(3) .4796(2) .7866(2)
 Cl(3) .1861(3) .0137(2) .6706(2)
 O(1) -.1684(8) .1428(7) .5938(7)
 O(2) -.1840(8) .1502(7) .8728(6)
 O(3) .0162(8) .3080(7) .9387(6)
 O(4) .2863(7) .3173(7) .7124(7)
 O(5) .2639(7) .2774(7) .4439(6)
 C(1) -.2420(10)
      .0370(10)
        .6920(10)
 C(2) -.3150(10)
      .1070(10)
        .8400(10)
 C(3) -.2320(10)
      .2030(10)
        1.0210(8)
 C(4) -.0720(10)
      .2170(10)
        1.0495(9)
 C(5) .1690(10)
     .3150(10)
       .9670(10)
 C(6) .2650(10)
     .3960(10)
       .8440(10)
 C(7) .4200(10)
     .3500(10)
       .5890(10)
 C(8) .4260(10)
     .2580(10)
       .4670(10)
 H1O1 -.170 .130 .494
 H1O5 .258 .349 .335
 H1C1 -.327 .009 .661
 H2C1 -.158 -.045 .695
 H1C2 -.358 .039 .910
 H2C2 -.402 .187 .838
 H1C3 -.299 .297 1.026
 H2C3 -.291 .142 1.089
 H1C4 -.006 .123 1.044
 H2C4 -.095 .256 1.143
 H1C5 .144 .365 1.056
 H2C5 .231 .221 .974
 H1C6 .370 .400 .855
 H2C6 .204 .492 .838
 H1C7 .395 .449 .565
 H2C7 .522 .330 .612
 H1C8 .462 .159 .489
 H2C8 .503 .285 .381