#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000163.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_2000163
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2709
_journal_page_last  2711
loop_
_publ_author_name
 'Macicek, J.'
 'Vladkova, T.'
_chemical_formula_sum  'C6 H16 N1 O6 P1'
_chemical_formula_weight  229.17
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_cell_length_a  15.108(3)
_cell_length_b  4.6360(10)
_cell_length_c  28.819(3)
_cell_angle_alpha  90
_cell_angle_beta  98.620(10)
_cell_angle_gamma  90
_cell_volume  1996(4)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.526
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  976
_exptl_absorpt_coefficient_mu  0.27
_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
 P .10847(4) .14420(10)    .30791(2) .01930(10)
 O(1) .16590(10)   .2846(4) .35231(5) .0287(4)
 O(2) .04580(10)   .3910(3) .28499(6) .0327(4)
 O(3) .04900(10)   -.0904(3) .32334(5) .0239(4)
 O(4) .16940(10)   .0509(4) .27475(5) .0337(4)
 O(5) .06120(10)   -.3080(4) .40665(5) .0387(5)
 O(6) .1444(2) .0620(4) .43589(6) .0514(6)
 C(1) .1088(2) -.1691(5) .44104(7) .0299(6)
 C(2) .1172(2) -.3243(6) .48702(8) .0361(6)
 C(3) .1279(2) -.1346(6) .53001(7) .0329(6)
 C(4) .1397(2) -.3102(6) .57531(7) .0337(6)
 C(5) .1399(2) -.1279(5) .61909(7) .0297(6)
 C(6) .1478(2) -.3096(5) .66291(7) .0285(6)
 N .14570(10)   -.1336(4) .70587(6) .0269(5)
 H(1) .154(2) .229(8) .3750(10)   ?
 H(2) .053(2) .517(8) .3000(10)   ?
 H(0) .062(2) -.206(8) .3790(10)    ?
 H(21) .168(2) -.448(8) .4890(10)     ?
 H(22) .065(2) -.455(8) .4860(10)     ?
 H(31) .073(2) -.014(8) .5290(10)     ?
 H(32) .180(2) -.004(8) .5310(10)     ?
 H(41) .197(2) -.417(8) .5780(10)     ?
 H(42) .088(2) -.463(8) .5730(10)     ?
 H(51) .186(2) .032(8) .6210(10)    ?
 H(52) .081(2) -.019(8) .6160(10)     ?
 H(61) .205(2) -.411(8) .6690(10)     ?
 H(62) .097(2) -.449(8) .6630(10)     ?
 H(1N) .094(2) -.039(8) .7040(10)     ?
 H(2N) .147(2) -.267(8) .7310(10)     ?
 H(3N) .194(2) -.017(8) .7130(10)     ?