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#$Date: 2016-12-12 09:01:05 +0000 (Mon, 12 Dec 2016) $
#$Revision: 189068 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000818.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000818
loop_
_publ_author_name
'Davies, J. A.'
'Pinkerton, A. A.'
'Vilmer, M.'
_publ_section_title
;
 <i>cis</i>-Di[bis(dimethylphosphino)methane
 <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1027
_journal_page_last               1029
_journal_paper_doi               10.1107/S0108270191013859
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H30 Cl2 O3 P4 Pd'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.332(3)
_cell_length_b                   16.592(3)
_cell_length_c                   17.420(3)
_cell_volume                     4142.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    1.45
_exptl_crystal_density_diffrn    1.60
_exptl_crystal_F_000             2032
_cod_data_source_file            cr0282.cif
_cod_data_source_block           cr0282a
_cod_original_cell_volume        4142(3)
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C10 H30 Cl2 Pd1 O3 P4'
_cod_database_code               2000818
_cod_depositor_comments
;
 Changing atom labels from 'C11', 'C12' to 'Cl1', 'Cl2' after consulting
 the original publication.

 Antanas Vaitkus,
 2016-12-12
;
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd1 .39587(2) .22741(2) .351500(10)
Cl1 .23868(7) .20258(8) .38343(6)
Cl2 .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