data_2012308
_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  'C8 H16 N2 O8 Pd S2'
_chemical_formula_sum  'C8 H16 N2 O8 Pd S2'
_chemical_formula_iupac  '[Pd (N O3)2 (C4 H8 O S)2]'
_chemical_formula_weight  438.75
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  8.9697(18)
_cell_length_b  9.3263(19)
_cell_length_c  18.317(4)
_cell_angle_alpha  90.00
_cell_angle_beta  97.56(3)
_cell_angle_gamma  90.00
_cell_volume  1518.9(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.919
_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  .55526(3)  .44420(2)  .597731(13)  .02864(8) Uani d . 1 . . Pd
  S1  .59228(9)  .22105(8)  .55557(4)  .02995(17) Uani d . 1 . . S
  S2  .79726(10)  .46150(8)  .65052(5)  .03518(19) Uani d . 1 . . S
  O1  .8366(3)  -.0176(3)  .56660(17)  .0536(7) Uani d . 1 . . O
  O2  .9904(3)  .7128(3)  .72287(15)  .0518(7) Uani d . 1 . . O
  O3  .5172(3)  .6565(3)  .61834(15)  .0472(6) Uani d . 1 . . O
  O4  .3916(5)  .8020(4)  .6768(3)  .1117(16) Uani d . 1 . . O
  O5  .3936(4)  .5773(5)  .70336(18)  .0804(11) Uani d . 1 . . O
  O6  .3300(3)  .4313(3)  .55423(14)  .0390(6) Uani d . 1 . . O
  O7  .1151(3)  .3385(4)  .56921(17)  .0676(9) Uani d . 1 . . O
  O8  .3172(3)  .2510(3)  .62980(18)  .0657(9) Uani d . 1 . . O
  N1  .4316(4)  .6800(4)  .6681(2)  .0563(10) Uani d . 1 . . N
  N2  .2518(3)  .3371(4)  .58577(17)  .0418(7) Uani d . 1 . . N
  C1  .6554(4)  .1080(4)  .63319(19)  .0392(8) Uani d . 1 . . C
  H1A  .7355  .1555  .6650  .047 Uiso calc R 1 . . H
  H1B  .5731  .0903  .6614  .047 Uiso calc R 1 . . H
  C2  .7122(5)  -.0330(4)  .6064(2)  .0509(10) Uani d . 1 . . C
  H2A  .7411  -.0947  .6485  .061 Uiso calc R 1 . . H
  H2B  .6309  -.0798  .5751  .061 Uiso calc R 1 . . H
  C3  .7990(5)  .0585(4)  .4999(2)  .0525(10) Uani d . 1 . . C
  H3A  .7129  .0132  .4714  .063 Uiso calc R 1 . . H
  H3B  .8826  .0536  .4714  .063 Uiso calc R 1 . . H
  C4  .7626(4)  .2133(4)  .5129(2)  .0397(8) Uani d . 1 . . C
  H4A  .7489  .2648  .4665  .048 Uiso calc R 1 . . H
  H4B  .8447  .2577  .5448  .048 Uiso calc R 1 . . H
  C5  .8777(4)  .6095(4)  .6064(2)  .0416(8) Uani d . 1 . . C
  H5A  .9018  .5794  .5587  .050 Uiso calc R 1 . . H
  H5B  .8050  .6868  .5988  .050 Uiso calc R 1 . . H
  C6 1.0177(5)  .6624(5)  .6526(2)  .0530(10) Uani d . 1 . . C
  H6A 1.0906  .5851  .6592  .064 Uiso calc R 1 . . H
  H6B 1.0609  .7395  .6266  .064 Uiso calc R 1 . . H
  C7  .9444(5)  .6033(5)  .7679(2)  .0476(9) Uani d . 1 . . C
  H7A  .9430  .6405  .8173  .057 Uiso calc R 1 . . H
  H7B 1.0170  .5257  .7708  .057 Uiso calc R 1 . . H
  C8  .7903(5)  .5452(4)  .73928(19)  .0452(9) Uani d . 1 . . C
  H8A  .7174  .6226  .7344  .054 Uiso calc R 1 . . H
  H8B  .7596  .4755  .7737  .054 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  .02394(12)  .02669(13)  .03392(13)  .00104(10)  -.00133(9)  -.00131(10)
  S1  .0259(4)  .0293(4)  .0332(4)  .0006(3)  -.0016(3)  -.0038(3)
  S2  .0287(4)  .0267(4)  .0469(5)  -.0014(3)  -.0068(4)  -.0026(3)
  O1  .0504(17)  .0431(15)  .0655(19)  .0173(13)  .0009(15)  -.0019(13)
  O2  .0523(16)  .0490(16)  .0539(15)  -.0220(13)  .0056(14)  -.0171(13)
  O3  .0446(15)  .0371(14)  .0598(16)  .0060(12)  .0061(13)  -.0067(12)
  O4  .090(3)  .086(3)  .157(4)  .039(2)  .010(3)  -.065(3)
  O5  .074(2)  .122(3)  .0476(19)  .008(2)  .0197(18)  -.008(2)
  O6  .0269(12)  .0449(14)  .0430(13)  -.0011(11)  -.0041(10)  .0059(11)
  O7  .0241(13)  .107(3)  .0707(19)  -.0086(16)  .0028(14)  .0080(19)
  O8  .0478(17)  .073(2)  .078(2)  .0044(16)  .0165(17)  .0325(18)
  N1  .0423(19)  .069(2)  .054(2)  .0165(19)  -.0076(17)  -.0245(19)
  N2  .0303(15)  .0544(19)  .0412(16)  -.0018(15)  .0060(13)  -.0010(15)
  C1  .043(2)  .0347(17)  .0384(18)  -.0003(16)  .0010(16)  .0052(14)
  C2  .063(3)  .0275(19)  .060(2)  .0005(17)  -.002(2)  .0046(16)
  C3  .048(2)  .060(3)  .049(2)  .021(2)  .0054(19)  -.010(2)
  C4  .0321(18)  .048(2)  .0398(18)  .0074(16)  .0076(16)  .0028(15)
  C5  .0395(19)  .045(2)  .0409(19)  -.0055(17)  .0068(16)  -.0029(16)
  C6  .041(2)  .061(3)  .059(2)  -.018(2)  .0138(19)  -.013(2)
  C7  .044(2)  .056(2)  .040(2)  -.0041(19)  -.0069(17)  -.0080(18)
  C8  .042(2)  .059(2)  .0330(18)  -.0127(18)  .0015(16)  .0038(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 O3 . 2.053(3) no
  Pd O6 . 2.076(2) no
  Pd S1 . 2.2595(9) no
  Pd S2 . 2.2627(11) no
  S1 C1 . 1.801(3) no
  S1 C4 . 1.807(4) no
  S2 C5 . 1.798(4) no
  S2 C8 . 1.812(4) no
  O1 C3 . 1.414(5) no
  O1 C2 . 1.418(5) no
  O2 C7 . 1.408(5) no
  O2 C6 . 1.422(5) no
  O3 N1 . 1.285(4) no
  O4 N1 . 1.210(5) no
  O5 N1 . 1.229(5) no
  O6 N2 . 1.305(4) no
  O7 N2 . 1.224(4) no
  O8 N2 . 1.231(4) no
  C1 C2 . 1.515(5) ?
  C3 C4 . 1.507(5) ?
  C5 C6 . 1.502(5) ?
  C7 C8 . 1.513(5) ?