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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/2/2005580.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_2005580
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first 	2724
_journal_page_last 	2726
_publ_section_title
;
(Dimercaptomethylenepropanedinitrilato-S,S')(pyridine)(triphenylphosphine)
palladium(II) Acetonitrile (1/1)
;
_chemical_formula_iupac 	'[Pd (C4 N2 S2) (C5 H5 N) (C18 H15 P)]'
_chemical_formula_moiety 	'C27 H20 N3 P Pd S2, C2 H3 N'
_chemical_formula_sum 	'C29 H23 N4 P Pd S2'
_chemical_formula_weight 	629.02
_symmetry_cell_setting 	Triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 -x,-y,-z
_symmetry_space_group_name_H-M 	'P -1'
_cell_length_a 	9.733(1)
_cell_length_b 	10.601(6)
_cell_length_c 	13.835(4)
_cell_angle_alpha 	93.56(2)
_cell_angle_beta 	94.94(2)
_cell_angle_gamma 	94.31(3)
_cell_volume 	1415(2)
_cell_formula_units_Z 	2
_exptl_crystal_density_diffrn 	1.48
_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
 Pd .22769(3) .03259(2) .07635(2) 2.96(1)
 S1 .2691(1) .23810(9) .03820(6) 3.92(4)
 S2 .2819(1) .0172(1) -.08529(7) 4.34(4)
 P .20458(9) .08660(8) .23738(6) 2.87(3)
 N1 .1921(3) -.1621(3) .0864(2) 3.3(1)
 N2 .3654(4) .4975(4) -.1228(3) 6.2(2)
 N3 .4318(5) .1614(4) -.3049(3) 6.6(2)
 C1 .0679(4) -.2152(3) .1034(3) 3.8(1)
 C2 .0423(4) -.3439(4) .1094(3) 4.7(2)
 C3 .1472(5) -.4206(4) .0990(3) 5.3(2)
 C4 .2746(5) -.3668(4) .0813(3) 5.3(2)
 C5 .2951(4) -.2381(4) .0756(3) 4.2(2)
 C6 .3062(3) .1797(4) -.0749(3) 3.6(1)
 C7 .3488(4) .2552(4) -.1466(3) 4.1(2)
 C8 .3578(4) .3889(4) -.1329(3) 4.6(2)
 C9 .3929(4) .2012(4) -.2336(3) 4.5(2)
 C21 .1018(3) .2225(3) .2533(2) 3.2(1)
 C22 .1193(4) .3032(4) .3367(3) 4.1(2)
 C23 .0325(5) .4000(4) .3478(3) 5.0(2)
 C24 -.0705(5) .4159(4) .2765(3) 5.0(2)
 C25 -.0881(4) .3361(4) .1933(3) 4.7(2)
 C26 -.0018(4) .2392(3) .1814(3) 3.8(1)
 C31 .3727(3) .1258(3) .3043(2) 3.0(1)
 C32 .3914(4) .1282(4) .4053(2) 3.8(1)
 C33 .5215(4) .1573(4) .4532(3) 4.6(2)
 C34 .6330(4) .1833(5) .4019(3) 5.2(2)
 C35 .6158(4) .1815(5) .3028(3) 5.5(2)
 C36 .4863(4) .1523(4) .2536(3) 4.2(2)
 C41 .1235(3) -.0355(3) .3051(2) 3.3(1)
 C42 -.0114(4) -.0319(4) .3297(3) 4.7(2)
 C43 -.0706(5) -.1316(5) .3777(4) 5.9(2)
 C44 .0021(5) -.2334(5) .3981(3) 5.7(2)
 C45 .1341(5) -.2383(4) .3728(3) 5.0(2)
 C46 .1963(4) -.1398(4) .3269(3) 4.0(1)
 N4 .2955(7) .4466(6) .5565(5) 10.1(3)
 C10 .5278(7) .5003(6) .6547(5) 8.6(3)
 C11 .3964(7) .4700(6) .5997(4) 7.2(3)
 H1 -.0049 -.1620 .1117 4.6
 H2 -.0476 -.3788 .1205 5.6
 H3 .1323 -.5096 .1047 6.4
 H4 .3485 -.4191 .0725 6.3
 H5 .3839 -.2017 .0636 5.1
 H6 .1907 .2926 .3863 4.9
 H7 .0437 .4550 .4054 6.1
 H8 -.1296 .4830 .2842 6.0
 H9 -.1593 .3472 .1436 5.6
 H10 -.0138 .1847 .1239 4.5
 H11 .3144 .1096 .4415 4.6
 H12 .5334 .1593 .5223 5.5
 H13 .7227 .2024 .4350 6.2
 H14 .6933 .2013 .2675 6.5
 H15 .4758 .1501 .1845 4.9
 H16 -.0633 .0378 .3137 5.7
 H17 -.1620 -.1284 .3963 7.1
 H18 -.0397 -.3008 .4308 6.9
 H19 .1837 -.3100 .3865 6.0
 H20 .2888 -.1429 .3103 4.8
 H21 .5763 .4256 .6584 10.5
 H22 .5807 .5624 .6242 10.5
 H23 .5140 .5318 .7188 10.5