#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005190.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_2005190
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1639
_journal_page_last     1641
_publ_section_title
;
trans-Dichlorobis[(R,R)-1,2-phenylenebis(methylphenylphosphine-P)]
ruthenium(II)
;
_chemical_formula_iupac     '[Ru Cl2 (C20 H20 P2)2]'
_chemical_formula_moiety     'C40 H40 Cl2 P4 Ru '
_chemical_formula_sum     'C40 H40 Cl2 P4 Ru '
_chemical_formula_weight     816.63
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2-x,   -y,1/2+z'
'1/2+x,1/2-y,   -z'
'   -x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M     'P 21 21 21'
_cell_length_a     11.641(6)
_cell_length_b     12.245(8)
_cell_length_c     26.446(5)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     3769(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.439
_cell_measurement_temperature     296.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ru(1) -0.16429(3) -0.15190(3) -0.141450(10)
                                           .02977(9)
Cl(1) -0.31930(10)
                 -0.13710(10)
                             -.08051(4)  .0460(4)
Cl(2)  -.01610(10)
                 -0.14030(10)
                            -0.20608(4)  .0479(4)
P(1) -0.29490(10)
                -0.11320(10)
                           -0.20444(5)  .0344(4)
P(2) -0.13800(10)
                 .03596(10) -0.13933(5)  .0370(4)
P(3)  -.04090(10)
                -0.19470(10)
                            -.07457(5)  .0348(4)
P(4) -0.16950(10)
                -0.34240(10)
                           -0.15305(4)  .0348(3)
C(101) -0.4466(4) -0.1161(4) -0.1878(2)  .050(2)
C(111) -0.2935(4) -0.1877(4) -0.2648(2)  .0370(10)
C(112) -0.3647(5) -0.2770(4) -0.2720(2)  .052(2)
C(113) -0.3625(5) -0.3355(5) -0.3172(2)  .069(2)
C(114) -0.2920(5) -0.3031(5) -0.3551(2)  .070(2)
C(115) -0.2222(5) -0.2167(4) -0.3487(2)  .056(2)
C(116) -0.2210(4) -0.1586(4) -0.3043(2)  .047(2)
C(121) -0.2759(4)  .0284(4) -0.2245(2)  .0370(10)
C(122) -0.3306(5)  .0701(4) -0.2672(2)  .047(2)
C(123) -0.3110(5)  .1773(4) -0.2819(2)  .051(2)
C(124) -0.2378(5)  .2412(4) -0.2553(2)  .050(2)
C(125) -0.1857(5)  .2016(4) -0.2122(2)  .048(2)
C(126) -0.2034(4)  .0943(4) -0.1964(2)  .0340(10)
C(201)  .0075(4)  .0894(4) -0.1411(2)  .054(2)
C(211) -0.2016(5)  .1199(4)  -.0892(2)  .044(2)
C(212) -0.1440(5)  .1339(5)  -.0443(2)  .071(2)
C(213) -0.1881(7)  .1966(6)  -.0051(3)  .098(3)
C(214) -0.2911(8)  .2464(6)  -.0113(3)  .102(3)
C(215) -0.3528(8)  .2323(5)  -.0549(2)  .107(3)
C(216) -0.3074(6)  .1682(5)  -.0934(2)  .079(2)
C(301)  -.0972(4) -0.1754(4)  -.0107(2)  .053(2)
C(311)  .1050(4) -0.1417(4)  -.0700(2)  .0370(10)
C(312)  .1824(4) -0.1647(5) -0.1072(2)  .058(2)
C(313)  .2938(5) -0.1277(5) -0.1049(2)  .072(2)
C(314)  .3311(5)  -.0666(5)  -.0656(2)  .062(2)
C(315)  .2556(5)  -.0406(4)  -.0275(2)  .058(2)
C(316)  .1439(4)  -.0784(4)  -.0300(2)  .050(2)
C(341)  -.0159(4) -0.3414(4)  -.0733(2)  .0380(10)
C(342)  .0604(4) -0.3890(4)  -.0388(2)  .049(2)
C(343)  .0683(5) -0.5006(4)  -.0340(2)  .057(2)
C(344)  .0015(5) -0.5664(4)  -.0641(2)  .055(2)
C(345)  -.0724(5) -0.5225(4)  -.0995(2)  .048(2)
C(346)  -.0809(4) -0.4088(4) -0.1045(2)  .0350(10)
C(401)  -.0986(4) -0.3922(4) -0.2101(2)  .051(2)
C(411) -0.3016(4) -0.4248(4) -0.1492(2)  .0380(10)
C(412) -0.3177(5) -0.5178(4) -0.1781(2)  .056(2)
C(413) -0.4131(5) -0.5835(4) -0.1719(2)  .065(2)
C(414) -0.4941(5) -0.5574(5) -0.1370(2)  .062(2)
C(415) -0.4826(5) -0.4631(5) -0.1094(2)  .068(2)
C(416) -0.3861(5) -0.3985(4) -0.1153(2)  .054(2)
H(101a) -0.4911 -0.0982 -0.2166  .0601
H(101b) -0.4607 -0.0648 -0.1616  .0601
H(101c) -0.4664 -0.1873 -0.1764  .0601
H(112) -0.4161 -0.2980 -0.2458  .0626
H(113) -0.4107 -0.3973 -0.3214  .0826
H(114) -0.2918 -0.3412 -0.3863  .0839
H(115) -0.1721 -0.1953 -0.3753  .0672
H(116) -0.1699 -0.0986 -0.3004  .0568
H(122) -0.3817  .0254 -0.2860  .0576
H(123) -0.3492  .2062 -0.3106  .0616
H(124) -0.2215  .3133 -0.2664  .0590
H(125) -0.1364  .2478 -0.1934  .0582
H(201c)  .0056  .1671 -0.1410  .0643
H(201a)  .0449  .0651 -0.1712  .0643
H(201b)  .0492  .0643 -0.1125  .0643
H(212) -0.0720  .0996 -0.0398  .0845
H(213) -0.1470  .2047  .0258  .1164
H(214) -0.3212  .2916  .0145  .1210
H(215) -0.4267  .2647 -0.0584  .1295
H(216) -0.3507  .1583 -0.1234  .0928
H(301a) -0.1155 -0.1006 -0.0058  .0631
H(301b) -0.0410 -0.1973  .0132  .0631
H(301c) -0.1645 -0.2183 -0.0066  .0631
H(312)  .1583 -0.2068 -0.1355  .0688
H(313)  .3455 -0.1451 -0.1314  .0835
H(314)  .4086 -0.0427 -0.0641  .0743
H(315)  .2800  .0028  .0002  .0690
H(316)  .0923 -0.0609 -0.0034  .0590
H(342)  .1073 -0.3436 -0.0181  .0596
H(343)  .1194 -0.5320 -0.0098  .0691
H(344)  .0065 -0.6434 -0.0604  .0657
H(345) -0.1167 -0.5695 -0.1202  .0585
H(401a) -0.1372 -0.3650 -0.2392  .0602
H(401b) -0.0997 -0.4698 -0.2106  .0602
H(401c) -0.0209 -0.3676 -0.2106  .0602
H(412) -0.2626 -0.5369 -0.2030  .0672
H(413) -0.4232 -0.6467 -0.1921  .0793
H(414) -0.5586 -0.6039 -0.1318  .0740
H(415) -0.5411 -0.4426 -0.0861  .0821
H(416) -0.3787 -0.3347 -0.0952  .0644