#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/14/2011496.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_2011496
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1332
_journal_page_last  1333
_publ_section_title
;
cis-Dichloro(dimethyl sulfoxide-S)(2-methoxypyridine-N)platinum(II)
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Georgia M. Arvanitis'
  'Charles E. Holmes'
  'Diana G. Johnson'
  'Michael Berardini'
_chemical_formula_sum  'C8 H13 Cl2 N O2 Pt S'
_chemical_formula_structural  '[Pt Cl2 (C6 H7 N O) (C2 H6 S O)]'
_chemical_formula_weight  453.25
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
  '-x+1/2, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, z+1/2'
_cell_length_a  8.749(2)
_cell_length_b  8.486(2)
_cell_length_c  17.325(3)
_cell_angle_alpha  90.
_cell_angle_beta  96.62(2)
_cell_angle_gamma  90.
_cell_volume  1277.7(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  193
_exptl_crystal_density_diffrn  2.356
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_type_symbol
  Pt  .09231(4)  .30755(4)  .36879(2)  .01700(10)
  Uani Pt
  Cl1  -.1047(3)  .2957(3)  .2695(2)  .0309(8) Uani Cl
  Cl2  .0909(3)  .5795(3)  .3619(2)  .0290(8) Uani Cl
  S  .1026(3)  .0466(3)  .37710(10)
  .0201(6) Uani S
  O1  .4241(8)  .2236(8)  .3801(4)  .0279(3) Uani O
  O2  .2015(7)  -.0174(8)  .4434(4)  .0253(3) Uani O
  N  .2623(8)  .3291(9)  .4586(5)  .0165(3) Uani N
  C1  .2310(10)
  .3870(10)
  .5272(6)  .0228(3) Uani C
  C2  .3370(10)
  .3950(10)
  .5902(6)  .0304(4) Uani C
  C3  .4840(10)
  .3390(10)
  .5837(6)  .0304(4) Uani C
  C4  .5210(10)
  .2780(10)
  .5144(6)  .0291(4) Uani C
  C5  .4080(10)
  .2740(10)
  .4527(6)  .0215(3) Uani C
  C6  .5690(10)
  .1440(10)
  .3716(7)  .0355(4) Uani C
  C7  .1600(10)
  -.0330(10)
  .2904(6)  .0291(4) Uani C
  C8  -.0850(10)
  -.0340(10)
  .3782(7)  .0304(4) Uani C
  H1  .13087  .42248  .53206  .033 Uiso H
  H2  .31405  .43748  .63681  .033 Uiso H
  H3  .55847  .34247  .62645  .033 Uiso H
  H4  .61947  .24088  .50959  .033 Uiso H
  H5  .56928  .11375  .31812  .033 Uiso H
  H6  .57820  .05348  .40406  .033 Uiso H
  H7  .65198  .21574  .38596  .033 Uiso H
  H8  .26160  .00351  .28414  .033 Uiso H
  H9  .08950  .00021  .24706  .033 Uiso H
  H10  .16015  -.14595  .29367  .033 Uiso H
  H11  -.12807  .00216  .42334  .033 Uiso H
  H12  -.07871  -.14694  .37888  .033 Uiso H
  H13  -.14937  -.00078  .33226  .033 Uiso 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
_atom_site_aniso_type_symbol
  Pt  .0173(2)  .0138(3)  .0199(3)  .0024(2)  .0021(2)  .0011(2) Pt
  Cl1  .0310(10)
  .032(2)  .0270(10)
  .0030(10)
  -.0100(10)
  .0070(10)
  Cl
  Cl2  .0330(10)
  .0160(10)
  .039(2)  .0040(10)
  .0080(10)
  .0010(10)
  Cl
  S  .0220(10)
  .0160(10)
  .0220(10)
  .0030(10)
  .0020(10)
  .0010(10)
  S
  O1  .024(4)  .030(4)  .031(4)  .003(3)  .004(3)  -.010(4) O
  O2  .030(4)  .018(4)  .028(4)  .001(3)  .000(3)  .006(3) O
  N  .013(4)  .014(5)  .022(5)  -.001(4)  -.003(4)  -.001(4) N
  C1  .029(6)  .015(6)  .025(6)  -.003(5)  .007(5)  .001(5) C
  C2  .033(6)  .034(7)  .025(6)  -.006(6)  .003(5)  -.003(6) C
  C3  .025(6)  .038(7)  .025(6)  -.004(5)  -.010(5)  .006(6) C
  C4  .024(6)  .035(7)  .026(7)  .000(5)  -.005(5)  .013(6) C
  C5  .030(6)  .009(6)  .025(6)  -.006(4)  -.001(5)  .006(5) C
  C6  .026(6)  .041(7)  .040(7)  .007(5)  .014(6)  .003(6) C
  C7  .041(7)  .023(6)  .025(6)  .002(5)  .011(5)  -.007(5) C
  C8  .024(6)  .020(6)  .048(7)  -.003(5)  .010(5)  .003(6) C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Pt Cl1 2.293(3) yes
  Pt Cl2 2.311(3) yes
  Pt S 2.220(3) yes
  Pt N 2.033(8) yes
  S O2 1.461(7) yes
  S C7 1.773(10) yes
  S C8 1.780(10)
  yes
  O1 C5 1.350(10)
  yes
  O1 C6 1.460(10)
  yes
  N C1 1.340(10)
  yes
  N C5 1.370(10)
  yes
  C1 C2 1.350(10)
  n
  C2 C3 1.380(10)
  n
  C3 C4 1.38(2) n
  C4 C5 1.370(10)
  n
  C1 H1  .93 no
  C2 H2  .93 no
  C3 H3  .93 no
  C4 H4  .93 no
  C6 H5  .96 no
  C6 H6  .96 no
  C6 H7  .96 no
  C7 H8  .96 no
  C7 H9  .96 no
  C7 H10  .96 no
  C8 H11  .96 no
  C8 H12  .96 no
  C8 H13  .96 no
_cod_database_code 2011496