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#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004918.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_2004918
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	1186
_journal_page_last    	1188
_publ_section_title
;
Diammine(dimethylmalonato)platinum(II) Monohydrate
;
_chemical_formula_iupac    	'[Pt (C5 H6 O4) (N H3)2] , H2 O'
_chemical_formula_moiety    	'C5 H12 N2 O4 Pt,H2 O1'
_chemical_formula_sum    	'C5 H14 N2 O5 Pt1'
_chemical_formula_weight    	377.27
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
'1/2+x,y,1/2-z'
'-1/2-x,-y,-1/2+z'
'x,1/2-y,z'
'-x,-1/2+y,-z'
'1/2-x,1/2+y,1/2+z'
'-1/2+x,-1/2-y,-1/2-z'
_symmetry_space_group_name_H-M    	'P n m a'
_cell_length_a    	6.5901(8)
_cell_length_b    	9.4434(9)
_cell_length_c    	14.983(2)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	932.4(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	2.69
_cell_measurement_temperature    	291
_refine_ls_weighting_scheme
; w = [\S~r~ = 1,3A~r~T~r~(x)]^-1^ [1-{(F~o~-F~c~)/6\s(F~o~)}^2^]^2^
with three coefficients for the Chebyshev polynomial T~r~(X); X=F~o~/F~o~(max)
;
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt(1) .16835(4) .2500 .03218(2) .020(2)
N(1) .1016(9) .4024(6) .1229(3) .030(2)
O(1) .2338(6) .3997(4) -.0583(3) .027(2)
O(2) .4412(6) .4871(4) -.1588(3) .036(2)
C(1) .3878(8) .3874(5) -.1116(3) .022(2)
C(2) .514(1) .2500 -.1130(5) .020(2)
C(3) .652(1) .2500 -.1932(7) .031(2)
C(4) .645(2) .2500 -.0286(6) .034(2)
O(3) .221(1) .2500 .2967(4) .037(2)
H(1a) .21(2) .45(1) .142(6) .07(1)
H(1b) .01(1) .47(1) .107(6) .07(1)
H(1c) .02(1) .37(1) .156(6) .07(1)
H(3) .17(1) .32(1) .335(7) .07(1)
H(3a) .72(2) .33(1) -.190(6) .07(1)
H(4a) .73(2) .33(1) -.031(5) .07(1)
H(3b) .57(2) .2500 -.25(1) .07(1)
H(4b) .55(3) .2500 .033(8) .07(1)