#------------------------------------------------------------------------------
#$Date: 2008-03-04 17:55:42 +0000 (Tue, 04 Mar 2008) $
#$Revision: 228 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004779.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_2004779
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     779
_journal_page_last     783
_publ_section_title
;
Two Different Crystal Forms of cis-Diamminebis(pyrazole)platinum(II) Nitrate
;
_chemical_formula_iupac     '[Pt1 (N H3)2 (C3 H4 N2)2](N1 O3)2, C3 H4 N2'
_chemical_formula_moiety     'C6 H14 N6 Pt, C3 H4 N2, (N O3)2'
_chemical_formula_sum     'C9 H18 N10 O6 Pt1'
_chemical_formula_structural     '(Pt (N H3)2 (C3 H4 N2)2) (N O3)2 (C3 H4 N2)'
_chemical_formula_weight     557.395
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,1/2+y,   -z'
_symmetry_space_group_name_H-M     'P 21'
_cell_length_a     10.049(2)
_cell_length_b     7.531(3)
_cell_length_c     12.2980(10)
_cell_angle_alpha     90
_cell_angle_beta     98.890(10)
_cell_angle_gamma     90
_cell_volume     919.5(4)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     2.0132
_cell_measurement_temperature     296.0
loop_
    _atom_type_symbol
    _atom_type_scat_source
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
C 'International Tables for X-ray Crystallography (1974, Vol. IV)'  .003  .002
H 'International Tables for X-ray Crystallography (1974, Vol. IV)'  .000  .000
N 'International Tables for X-ray Crystallography (1974, Vol. IV)'  .006  .003
Pt 'International Tables for X-ray Crystallography (1974, Vol. IV)'
                                                                   -01.703 8.390
O 'International Tables for X-ray Crystallography (1974, Vol. IV)'  .011  .006
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt  .82899(3)  .2549  .63030(3)  .03689(10)
O(1)  .4252(9)  .125(2)  .5705(9)  .066(3)
O(2)  .2121(9)  .1610(10)
                         .5437(8)  .093(4)
O(3)  .344(2)  .377(2)  .545(2)  .164(9)
O(4)  .2708(8)  .677(2)  .7465(7)  .115(5)
O(5)  .0733(7)  .710(2)  .6619(6)  .072(4)
O(6)  .1122(8)  .739(6)  .8356(7)  .138(6)
N(1)  .9176(9)  .0460(10)
                         .5640(8)  .054(3)
N(2)  .6885(7)  .272(4)  .4914(6)  .045(3)
N(3)  .7433(8)  .4660(10)
                         .6894(7)  .040(3)
N(4)  .6145(10)  .505(2)  .6908(9)  .067(4)
N(5)  .9650(7)  .245(5)  .7677(7)  .046(3)
N(6)  .9290(8)  .237(5)  .8676(7)  .067(5)
N(7)  .6645(9)  .1610(10)
                         .9022(8)  .056(3)
N(8)  .6410(10)  .114(2) 1.0031(8)  .061(4)
N(9)  .323(2)  .237(5)  .5590(10)
                                 .090(7)
N(10)  .1544(10)  .706(2)  .7498(9)  .065(5)
C(1)  .5980(10)
               .670(2)  .7360(10)
                                 .063(5)
C(2)  .7290(10)
               .731(5)  .7630(10)
                                 .079(7)
C(3)  .8087(10)  .605(2)  .7351(10)  .043(4)
C(4) 1.0370(10)
               .222(2)  .9455(9)  .045(4)
C(5) 1.1459(10)  .254(7)  .8946(10)  .081(5)
C(6) 1.1012(9)  .246(5)  .7822(9)  .060(4)
C(7)  .524(2)  .033(4) 1.002(3)  .072(7)
C(8)  .4640(10)
               .032(2)  .8910(10)
                                 .070(5)
C(9)  .5580(10)
               .104(2)  .8360(10)
                                 .062(5)
H(1)  .9722  .0858  .5212  .0656
H(2)  .9625 -0.0170  .6165  .0567
H(3)  .8559 -0.0193  .5260  .0567
H(4)  .6209  .2025  .4979  .0340
H(5)  .6603  .3807  .4824  .0340
H(6)  .7246  .2391  .4346  .0656
H(7)  .5480  .4347  .6659  .0500
H(8)  .5171  .7275  .7467  .0878
H(9)  .7558  .8424  .7957  .1018
H(10)  .9042  .6142  .7467  .0811
H(11)  .8463  .2418  .8804  .0851
H(12) 1.0380  .1934 1.0209  .0578
H(13) 1.2352  .2778  .9294  .0710
H(14) 1.1560  .2421  .7259  .0558
H(15)  .6968  .1361 1.0631  .0717
H(16)  .4885 -0.0151 1.0628  .0861
H(17)  .3765 -0.0091  .8605  .0757
H(18)  .5485  .1120  .7584  .0742