data_2012307
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1265
_journal_page_last  1267
_publ_section_title
;
cis-Bis(Dimethyl sulfoxide-S)dinitratopalladium(II) and
cis-dinitratobis(1,4-thioxane-S)palladium(II)
;
loop_
_publ_author_name
  'Johansson, Maria H.'
  'Oskarsson, \%Ake'
_chemical_formula_moiety  'C4 H12 N2 O8 Pd S2'
_chemical_formula_sum  'C4 H12 N2 O8 Pd S2'
_chemical_formula_iupac  '[Pd (N O3)2 (C2 H6 O S)2]'
_chemical_formula_weight  386.68
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  8.971(2)
_cell_length_b  14.195(3)
_cell_length_c  10.358(2)
_cell_angle_alpha  90.00
_cell_angle_beta  112.24(3)
_cell_angle_gamma  90.00
_cell_volume  1221.0(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.104
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Pd  .99190(2)  .485088(14)  .81081(2)  .02024(6) Uani d . 1 . . Pd
  S1  .72881(8)  .48710(5)  .68114(7)  .02302(13) Uani d . 1 . . S
  S2 1.01960(9)  .34960(5)  .70880(7)  .02764(15) Uani d . 1 . . S
  O1 1.2342(3)  .49996(15)  .9334(2)  .0350(5) Uani d . 1 . . O
  O2 1.4275(3)  .59695(19)  .9513(3)  .0527(7) Uani d . 1 . . O
  O3 1.2864(3)  .5375(2)  .7500(2)  .0573(7) Uani d . 1 . . O
  O4  .9688(3)  .59799(13)  .9279(2)  .0303(4) Uani d . 1 . . O
  O5 1.0613(4)  .73742(17)  .9924(3)  .0664(8) Uani d . 1 . . O
  O6 1.0461(4)  .68552(16)  .7923(3)  .0543(7) Uani d . 1 . . O
  O7  .6956(3)  .47777(16)  .5316(2)  .0375(5) Uani d . 1 . . O
  O8  .8834(3)  .28462(15)  .6708(2)  .0398(5) Uani d . 1 . . O
  N1 1.3195(3)  .54689(19)  .8750(3)  .0342(6) Uani d . 1 . . N
  N2 1.0295(3)  .67702(17)  .9038(3)  .0337(6) Uani d . 1 . . N
  C1  .6427(4)  .5919(2)  .7123(3)  .0376(7) Uani d . 1 . . C
  H1A  .6582  .5953  .8091  .056 Uiso calc R 1 . . H
  H1B  .5295  .5924  .6562  .056 Uiso calc R 1 . . H
  H1C  .6934  .6450  .6885  .056 Uiso calc R 1 . . H
  C2  .6240(4)  .4010(2)  .7361(3)  .0369(7) Uani d . 1 . . C
  H2A  .6356  .4137  .8305  .055 Uiso calc R 1 . . H
  H2B  .6673  .3399  .7312  .055 Uiso calc R 1 . . H
  H2C  .5120  .4026  .6766  .055 Uiso calc R 1 . . H
  C3 1.0622(5)  .3703(3)  .5579(3)  .0485(9) Uani d . 1 . . C
  H3A 1.0856  .3116  .5236  .073 Uiso calc R 1 . . H
  H3B 1.1535  .4114  .5807  .073 Uiso calc R 1 . . H
  H3C  .9705  .3992  .4875  .073 Uiso calc R 1 . . H
  C4 1.1961(4)  .2925(3)  .8238(4)  .0493(9) Uani d . 1 . . C
  H4A 1.1879  .2832  .9127  .074 Uiso calc R 1 . . H
  H4B 1.2885  .3308  .8354  .074 Uiso calc R 1 . . H
  H4C 1.2073  .2325  .7855  .074 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Pd  .02103(10)  .02061(10)  .01875(10)  -.00148(8)  .00715(7)  -.00111(8)
  S1  .0217(3)  .0264(3)  .0201(3)  -.0014(3)  .0069(3)  -.0010(2)
  S2  .0318(4)  .0241(3)  .0290(4)  .0014(3)  .0138(3)  -.0022(3)
  O1  .0232(10)  .0476(13)  .0311(11)  -.0074(9)  .0067(9)  .0050(9)
  O2  .0380(14)  .0620(17)  .0526(15)  -.0228(12)  .0108(12)  -.0068(12)
  O3  .0548(17)  .090(2)  .0343(13)  -.0197(15)  .0248(13)  -.0100(13)
  O4  .0409(12)  .0251(10)  .0290(10)  -.0052(9)  .0178(9)  -.0045(8)
  O5  .096(2)  .0335(14)  .0597(18)  -.0121(14)  .0184(17)  -.0241(12)
  O6  .087(2)  .0359(13)  .0596(16)  -.0009(13)  .0494(16)  .0086(12)
  O7  .0330(12)  .0588(14)  .0194(10)  .0002(10)  .0084(9)  -.0021(9)
  O8  .0442(14)  .0271(11)  .0508(14)  -.0060(10)  .0211(12)  -.0078(10)
  N1  .0234(13)  .0431(15)  .0361(14)  -.0035(11)  .0112(11)  -.0026(12)
  N2  .0369(14)  .0252(13)  .0362(14)  .0003(10)  .0107(12)  -.0021(11)
  C1  .0302(16)  .0317(16)  .0454(18)  .0085(12)  .0081(15)  -.0002(14)
  C2  .0337(17)  .0374(18)  .0443(18)  -.0105(13)  .0201(15)  -.0035(13)
  C3  .070(3)  .050(2)  .0381(18)  -.0075(19)  .0345(19)  -.0091(15)
  C4  .046(2)  .041(2)  .053(2)  .0182(16)  .0097(18)  -.0014(16)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Pd O4 . 2.067(2) no
  Pd O1 . 2.072(2) no
  Pd S1 . 2.2307(11) no
  Pd S2 . 2.2530(8) no
  S1 O7 . 1.469(2) no
  S1 C1 . 1.761(3) no
  S1 C2 . 1.762(3) no
  S2 O8 . 1.461(2) no
  S2 C3 . 1.768(3) no
  S2 C4 . 1.777(3) no
  O1 N1 . 1.322(3) no
  O2 N1 . 1.220(3) no
  O3 N1 . 1.221(3) no
  O4 N2 . 1.312(3) no
  O5 N2 . 1.208(3) no
  O6 N2 . 1.225(3) no