#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000613.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_2000613 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1661 _journal_page_last 1663 loop_ _publ_author_name 'Litster, S.A.' 'Redhouse, A.D.' 'Simpson, S.J.' _chemical_formula_sum 'C32 H32 P2 Ru1' _chemical_formula_weight 579.6 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall ? _cell_length_a 9.188(2) _cell_length_b 19.307(3) _cell_length_c 15.545(3) _cell_angle_alpha 90. _cell_angle_beta 102.980(10) _cell_angle_gamma 90. _cell_volume 2687.0(8) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.43 _exptl_crystal_density_meas ? _exptl_crystal_F_000 1192 _exptl_absorpt_coefficient_mu 0.707 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7107 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ru(1) .12530(10) .13120(10) .29510(10) .0270(10) C(6) -.0512(6) .0038(3) .1097(3) .032(2) C(7) .0030(6) -.0277(3) .2023(3) .030(2) C(8) -.1319(5) .0723(2) .1085(3) .032(2) P(1) -.00990(10) .14310(10) .15860(10) .0270(10) C(11) -.1381(5) .2172(2) .1494(3) .031(2) C(12) -.2800(6) .2104(3) .1642(4) .048(2) C(13) -.3704(7) .2674(4) .1682(4) .062(3) C(14) -.3155(8) .3325(3) .1598(4) .060(3) C(15) -.1754(7) .3413(3) .1457(4) .050(2) C(16) -.0876(6) .2841(3) .1399(3) .041(2) C(21) .0896(5) .1598(2) .0703(3) .0250(10) C(22) .0184(6) .1824(2) -.0137(3) .030(2) C(23) .0968(6) .1908(2) -.0789(3) .037(2) C(24) .2483(7) .1773(3) -.0614(3) .041(2) C(25) .3209(6) .1549(3) .0212(4) .041(2) C(26) .2421(6) .1464(3) .0865(3) .034(2) P(2) .15900(10) .01820(10) .27490(10) .0260(10) C(31) .1888(5) -.0382(2) .3734(3) .028(2) C(32) .2329(6) -.1065(3) .3711(3) .042(2) C(33) .2498(7) -.1492(3) .4449(4) .051(2) C(34) .2224(7) -.1233(3) .5212(4) .055(2) C(35) .1787(8) -.0553(3) .5249(4) .061(3) C(36) .1639(7) -.0129(3) .4513(3) .047(2) C(41) .3195(5) -.0084(2) .2301(3) .028(2) C(42) .3110(6) -.0527(3) .1585(3) .036(2) C(43) .4367(6) -.0660(3) .1259(3) .045(2) C(44) .5724(6) -.0373(3) .1643(4) .043(2) C(45) .5833(6) .0053(3) .2357(4) .043(2) C(46) .4584(6) .0193(3) .2685(3) .034(2) C(1) .1804(8) .1907(3) .4228(4) .056(3) C(2) .1375(7) .2375(3) .3514(4) .053(2) C(3) .2436(7) .2325(3) .2997(4) .049(2) C(4) .3501(7) .1837(3) .3360(4) .048(2) C(5) .3111(7) .1570(3) .4130(3) .047(2) H(10) -.019(5) .105(2) .320(3) ? H(6C) -.110(5) -.031(2) .073(3) ? H(6D) .031(5) .009(2) .086(3) ? H(7C) .034(5) -.077(2) .198(3) ? H(7D) -.073(5) -.027(2) .233(3) ? H(8C) -.211(5) .068(2) .144(3) ? H(8D) -.182(5) .087(2) .049(3) ? H(12A) -.322(6) .171(3) .172(3) ? H(13A) -.467(6) .258(3) .179(4) ? H(14A) -.370(6) .373(3) .164(2) ? H(15B) -.140(6) .383(3) .136(3) ? H(16B) .009(5) .291(2) .127(3) ? H(22A) -.086(5) .193(2) -.028(3) ? H(23A) .039(5) .205(2) -.138(3) ? H(24A) .301(5) .183(2) -.102(3) ? H(25A) .418(5) .148(2) .031(3) ? H(26A) .285(5) .138(3) .133(3) ? H(32A) .246(5) -.123(2) .317(3) ? H(33B) .281(6) -.193(3) .444(3) ? H(34A) .235(6) -.149(3) .568(3) ? H(35A) .156(6) -.036(3) .572(3) ? H(36A) .139(6) .028(2) .454(3) ? H(42B) .211(5) -.073(2) .126(3) ? H(43A) .425(5) -.099(2) .080(3) ? H(44A) .645(6) -.051(3) .143(3) ? H(45B) .665(5) .028(3) .262(3) ? H(46A) .476(5) .046(2) .321(3) ? H(1A) .127(7) .180(3) .457(4) ? H(2A) .047(6) .266(3) .343(3) ? H(3A) .242(6) .259(3) .249(3) ? H(4A) .432(6) .169(3) .317(3) ? H(5A) .360(6) .123(2) .448(3) ?