#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010469.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_2010469
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  232
_journal_page_last  233
_publ_section_title
;
trans-Bis(\m-chloro)bis(chlorotributylphosphinepalladium)
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Chaloner, P. A.'
  'Dewa, S. Z.'
  'Hitchcock, P. B.'
_chemical_formula_moiety  '[Pd2 Cl4 (C12 H27 P1)2 ]'
_chemical_formula_sum  'C24 H54 Cl4 P2 Pd2'
_chemical_formula_weight  762.3
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,1/2-z'
_cell_length_a  21.728(9)
_cell_length_b  12.624(6)
_cell_length_c  13.838(7)
_cell_angle_alpha  90.0
_cell_angle_beta  113.80(4)
_cell_angle_gamma  90.0
_cell_volume  3473
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.46
_refine_ls_R_factor_obs  0.035
_refine_ls_wR_factor_obs  0.046
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Pd .26155(2) .15327(3) .59556(2) .0480(10)
  Cl(1) .22038(8) .16603(9) .40388(8) .0750(10)
  Cl(2) .23913(8) -.02301(10) .58586(9) .0800(10)
  P .29443(6) .14227(10) .76911(8) .0520(10)
  C(1) .3468(2) .0287(4) .8296(3) .058(2)
  C(2) .3739(2) .0258(4) .9495(3) .063(2)
  C(3) .4124(3) -.0732(4) .9979(4) .073(3)
  C(4) .4397(3) -.0724(5) 1.1168(4) .094(3)
  C(5) .2209(3) .1284(5) .7999(4) .084(3)
  C(6) .1688(3) .2080(7) .7545(6) .122(4)
  C(7) .1106(4) .2040(9) .7873(7) .204(7)
  C(8a) .0730(10) .2897(19) .7842(16) .113(7)
  C(8b) .0884(12) .124(2) .8029(19) .131(8)
  C(8c) .1057(11) .2084(19) .8538(16) .115(7)
  C(9) .3408(2) .2564(4) .8400(3) .064(2)
  C(10) .4100(3) .2703(4) .8411(4) .075(3)
  C(11) .4469(4) .3651(5) .9013(6) .124(4)
  C(12) .5151(5) .3794(7) .9106(7) .157(6)
  H1A .385 .027 .809 ?
  H1B .322 -.036 .802 ?
  H2A .337 .033 .970 ?
  H2B .403 .086 .978 ?
  H3A .449 -.082 .975 ?
  H3B .383 -.134 .971 ?
  H4A .464 -.135 1.146 ?
  H4B .469 -.012 1.143 ?
  H4C .404 -.064 1.139 ?
  H5A .234 .126 .875 ?
  H5B .200 .058 .773 ?
  H6A .151 .204 .677 ?
  H6B .190 .277 .772 ?
  H9A .345 .252 .912 ?
  H9B .315 .319 .809 ?
  H10A .406 .278 .769 ?
  H10B .436 .207 .869 ?
  H11A .451 .355 .975 ?
  H11B .422 .426 .875 ?
  H12A .536 .443 .953 ?
  H12B .544 .322 .942 ?
  H12C .515 .392 .842 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Pd Cl(1) . . 2.4390(10)
  yes
  Pd Cl(2) . . 2.2700(10)
  yes
  P C(1) . . 1.811(4) yes
  P C(9) . . 1.804(5) yes
  C(2) C(3) . . 1.502(7) yes
  C(5) C(6) . . 1.454(9) yes
  C(7) C(8a) . . 1.35(3) yes
  C(7) C(8c) . . 0.97(3) yes
  C(10) C(11) . . 1.492(8) yes
  Pd Cl(1) . 7_556 2.3140(10)
  yes
  Pd P . . 2.2160(10)
  yes
  P C(5) . . 1.820(7) yes
  C(1) C(2) . . 1.521(6) yes
  C(3) C(4) . . 1.506(7) yes
  C(6) C(7) . . 1.506(13) yes
  C(7) C(8b) . . 1.17(3) yes
  C(9) C(10) . . 1.508(8) yes
  C(11) C(12) . . 1.447(14) yes