#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004781.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_2004781
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	783
_journal_page_last    	786
_publ_section_title
;
Di-(\m-pyrazolato-N:N')-bis[(2,2'-bipyridine-N,N')platinum(II)]
Bis(tetrafluoroborate) Monohydrate
;
_chemical_formula_iupac    	'[Pt2 (C3 H3 N2)2(C10 H8 N2)2] (B1 F4)2, H2 O1'
_chemical_formula_moiety    	'C26 H22 N8 Pt2, (B F4)2, H2 O'
_chemical_formula_sum            'C26 H24 B2 F8 N8 O Pt2'
_[local]_cod_chemical_formula_sum_orig 'B2 C26 F8 H24 N8 O1 Pt2'
_chemical_formula_structural    	'(Pt (C10 H8 N2) (C3 H3 N2))2 (B F4)2 H2 O'
_chemical_formula_weight    	1028.32
_symmetry_cell_setting    	orthorhombic
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_[local]_cod_cif_authors_sg_H-M  'P m m n'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2-x,   +y,   +z'
'   +x,1/2-y,   +z'
'1/2-x,1/2-y,   +z'
'   -x,   -y,   -z'
'1/2+x,   -y,   -z'
'   -x,1/2+y,   -z'
'1/2+x,1/2+y,   -z'
_cell_length_a    	12.120(3)
_cell_length_b    	18.425(3)
_cell_length_c    	7.110(6)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1587.7(14)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	2.151
_exptl_crystal_density_meas    	2.27
_cell_measurement_temperature    	296.0
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt 0.5 0.11669(7) 0.2500 0.0377(1) 0.0556(2)
F(1) 0.5 -0.2500 0.1216(9) 0.057(3) 0.27(1)
F(2) 0.5 -0.2500 0.0124(6) -0.009(2) 0.124(5)
F(3) 1.0 -0.329(1) 0.0675(9) 0.227(2) 0.34(1)
O 0.25 -0.2500 0.2500 0.271(3) 0.128(10)
N(1) 1.0 0.1937(7) 0.1783(5) 0.199(1) 0.061(4)
N(2) 1.0 0.0379(9) 0.1800(6) -0.130(2) 0.061(4)
C(1) 1.0 0.162(1) 0.1309(7) 0.336(2) 0.081(6)
C(2) 0.5 0.2500 0.101(1) 0.423(3) 0.086(10)
C(3) 1.0 -0.033(1) 0.2104(7) -0.258(2) 0.059(5)
C(4) 1.0 -0.094(1) 0.1657(10) -0.375(2) 0.082(6)
C(5) 1.0 -0.087(1) 0.0918(10) -0.370(2) 0.094(7)
C(6) 1.0 -0.013(1) 0.0607(9) -0.245(2) 0.085(7)
C(7) 1.0 0.049(1) 0.1057(9) -0.127(2) 0.075(6)
B 0.5 -0.2500 0.063(2) 0.122(6) 0.09(1)
H(1) 1.0 0.0872 0.1201 0.3663 0.0933
H(2) 0.5 0.2500 0.0672 0.5236 0.0974
H(3) 1.0 -0.1433 0.1875 -0.4634 0.0932
H(4) 1.0 -0.1318 0.0626 -0.4494 0.1077
H(5) 1.0 -0.0050 0.0095 -0.2402 0.0916
H(6) 1.0 0.0997 0.0842 -0.0428 0.0973