#------------------------------------------------------------------------------
#$Date: 2008-01-26 19:25:03 +0200 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005902.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_2005902
_journal_name_full  'Acta Crystallographica'
_journal_year       1997
_journal_volume    	C53
_journal_page_first    	134
_journal_page_last    	136
_publ_section_title
;
L-Histidinol Phosphate Tetrahydrate
;
_chemical_formula_moiety    	'C6 H12 N3 O4 P1, 4H2 O'
_chemical_formula_sum    	'C6 H20 O8 N3 P1'
_chemical_formula_weight    	293.22
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,y+1/2,-z'
_symmetry_space_group_name_H-M    	'P 21'
_cell_length_a    	9.405(1)
_cell_length_b    	7.669(2)
_cell_length_c    	9.436(1)
_cell_angle_alpha    	90
_cell_angle_beta    	104.177(9)
_cell_angle_gamma    	90
_cell_volume    	659.9(4)
_cell_formula_units_z    	2
_exptl_crystal_density_diffrn    	1.476
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
    P(1) 0.41344(8) 0.1670 0.77578(9) 1.67(3)
    O(1) 0.4514(3) -0.0344(4) 0.7570(3) 2.5(1)
    O(2) 0.5580(3) 0.2573(4) 0.7852(3) 2.6(1)
    O(3) 0.2948(3) 0.2222(4) 0.6443(3) 2.9(1)
    O(4) 0.3592(2) 0.1836(5) 0.9143(2) 2.5(1)
    O(5) 0.2585(3) 0.2398(7) 0.3480(3) 5.9(2)
    O(6) 0.7583(4) -0.0150(6) 1.0095(4) 5.0(2)
    O(7) 0.9731(3) 0.2068(5) 0.1503(3) 3.9(1)
    O(8) 0.1469(3) -0.0013(5) 1.0075(4) 3.9(1)
    N(1) 0.5323(3) -0.3867(4) 0.7913(3) 2.1(1)
    N(2) 0.1978(3) -0.2639(5) 0.3146(3) 2.6(1)
    N(3) -0.0163(3) -0.2795(5) 0.3593(3) 3.0(1)
    C(1) 0.3453(4) -0.1602(5) 0.7747(4) 2.4(1)
    C(2) 0.3811(3) -0.3342(6) 0.7129(4) 2.0(1)
    C(3) 0.3721(3) -0.3338(8) 0.5508(4) 2.5(1)
    C(4) 0.2205(4) -0.3074(6) 0.4595(4) 2.3(1)
    C(5) 0.0534(4) -0.2464(7) 0.2587(4) 3.1(2)
    C(6) 0.0868(4) -0.3173(8) 0.4875(4) 2.9(1)
    H(1) 0.5608 0.3812 0.7965 3.1
    H(2) 0.2575 -0.1233 0.7191 2.7
    H(3) 0.3406 -0.1709 0.8797 2.8
    H(4) 0.3250 -0.4200 0.7386 2.6
    H(5) 0.5975 -0.3223 0.7442 2.7
    H(6) 0.5577 -0.3607 0.8925 2.7
    H(7) 0.5612 -0.4870 0.8012 2.5
    H(8) 0.4393 -0.2184 0.5199 3.1
    H(9) 0.4114 -0.4467 0.5222 3.1
    H(10) 0.0057 -0.2398 0.1487 3.8
    H(11) -0.1081 -0.2927 0.3594 3.6
    H(12) 0.0473 -0.3406 0.5740 3.5
    H(13) 0.1749 0.1733 0.2957 7.1
    H(14) 0.2673 0.2102 0.4411 7.1
    H(15) 0.6993 0.0351 0.9306 6.0
    H(16) 0.7085 -0.1110 1.0321 6.0
    H(17) 0.9398 0.3189 0.0948 4.7
    H(18) 0.8860 0.1563 0.1059 4.6