#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000818.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_2000818 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1027 _journal_page_last 1029 loop_ _publ_author_name 'Davies, J.A.' 'Pinkerton, A.A.' 'Vilmer, M.' _chemical_formula_sum 'C10 H30 Cl2 Pd1 O3 P4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'Pbca' _symmetry_space_group_name_Hall ? _cell_length_a 14.332(3) _cell_length_b 16.592(3) _cell_length_c 17.420(3) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 4142(3) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.60 _exptl_crystal_density_meas ? _exptl_crystal_F_000 2032 _exptl_absorpt_coefficient_mu 1.45 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.70930 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pd1 .39587(2) .22741(2) .351500(10) C11 .23868(7) .20258(8) .38343(6) C12 .36333(8) .18350(8) .22378(6) P1 .54426(7) .24495(6) .31210(6) P2 .41181(7) .26389(6) .47506(6) P3 .59204(8) .07279(7) .36083(7) P4 .34228(8) .43198(7) .43644(7) O1 .6231(2) .1055(2) .4354(2) O2 .4328(3) .4358(2) .3973(3) O3 .4231(4) -.0035(3) .1791(4) C1 .3787(3) .1805(3) .5365(2) C2 .3327(3) .3446(2) .4985(2) C3 .5192(3) .2944(3) .5191(3) C4 .5468(3) .3077(3) .2265(2) C5 .5902(3) .1471(2) .2856(2) C6 .6392(3) .2878(3) .3657(3) C7 .4793(3) .0287(3) .3683(3) C8 .6632(4) -.0055(3) .3225(4) C9 .2470(4) .4255(4) .3722(4) C10 .3140(5) .5156(3) .4960(4) H1 .345 .362 .550 H2 .271 .325 .495 H3 .653 .155 .269 H4 .554 .126 .244 H5 .386 .197 .588 H6 .315 .167 .527 H7 .417 .135 .527 H8 .509 .307 .572 H9 .564 .252 .515 H10 .542 .341 .493 H11 .610 .315 .210 H12 .512 .282 .187 H13 .520 .359 .237 H14 .694 .288 .335 H15 .624 .342 .379 H16 .649 .257 .411 H17 .479 -.010 .408 H18 .433 .068 .378 H19 .467 .003 .321 H20 .668 -.048 .359 H21 .637 -.026 .276 H22 .723 .016 .313 H23 .250 .469 .335 H24 .255 .376 .344 H25 .194 .426 .400 H26 .317 .566 .466 H27 .252 .508 .512 H28 .357 .515 .533