data_2011273
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e335
_journal_page_last  e337
_publ_section_title
;
cis-Bis(3,6-dihydro-2H-1,2-oxazine-N)diiodoplatinum(II) and
cis-bis(3,4,5,6-tetrahydro-2H-1,2-oxazine-N)diiodoplatinum(II)
;
loop_
_publ_author_name
  'Saltmarsh, Jennifer A.'
  'Howell, Bob A.'
  'Squattrito, Philip J.'
_chemical_formula_moiety  'C8 H18 I2 N2 O2 Pt'
_chemical_formula_sum  'C8 H18 I2 N2 O2 Pt'
_chemical_formula_iupac  '[Pt (C4 H9 N O)2 I2]'
_chemical_formula_weight  623.14
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '  -x,  -y,  -z'
_cell_length_a  9.379(5)
_cell_length_b  9.537(4)
_cell_length_c  8.950(4)
_cell_angle_alpha  91.10(4)
_cell_angle_beta  98.37(4)
_cell_angle_gamma  66.98(4)
_cell_volume  728.3(7)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  2.841
_diffrn_ambient_temperature  296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
  Pt  .71410(10)
  .46800(10)
  .52360(10)
  .0330(3) Uij ? ?
  I1  .8218(2)  .2057(2)  .6657(2)  .0520(6) Uij ? ?
  I2  .6089(2)  .6056(2)  .7630(2)  .0490(6) Uij ? ?
  O1  .608(2)  .668(2)  .253(2)  .043(5) Uij ? ?
  O2  .924(2)  .420(2)  .310(2)  .048(6) Uij ? ?
  N1  .638(2)  .677(2)  .416(2)  .040(6) Uij ? ?
  N2  .795(2)  .380(2)  .328(2)  .036(7) Uij ? ?
  C1  .538(3)  .816(4)  .179(3)  .058(10) Uij ? ?
  C2  .649(4)  .898(3)  .203(3)  .070(10)
  Uij ? ?
  C3  .691(3)  .912(3)  .376(3)  .060(10)
  Uij ? ?
  C4  .742(4)  .757(3)  .459(3)  .070(10)
  Uij ? ?
  C5  .947(3)  .414(4)  .153(3)  .060(10)
  Uij ? ?
  C6  .999(3)  .249(4)  .099(3)  .070(10)
  Uij ? ?
  C7  .875(3)  .194(3)  .128(3)  .056(10) Uij ? ?
  C8  .844(3)  .218(3)  .288(3)  .052(9) Uij ? ?
  H1  .5487  .7351  .4439  .0460 Uij ? ?
  H2  .7197  .4300  .2541  .0439 Uij ? ?
  H3  .5087  .8083  .0731  .0684 Uij ? ?
  H4  .4450  .8775  .2199  .0684 Uij ? ?
  H5  .7467  .8372  .1621  .0745 Uij ? ?
  H6  .6077  .9951  .1493  .0745 Uij ? ?
  H7  .7705  .9544  .3978  .0656 Uij ? ?
  H8  .5987  .9841  .4139  .0656 Uij ? ?
  H9  .7565  .7681  .5662  .0747 Uij ? ?
  H10  .8466  .6929  .4343  .0747 Uij ? ?
  H11  .8486  .4771  .0897  .0644 Uij ? ?
  H12 1.0212  .4571  .1391  .0644 Uij ? ?
  H13 1.0130  .2454  -.0061  .0731 Uij ? ?
  H14 1.0996  .1875  .1560  .0731 Uij ? ?
  H15  .7800  .2494  .0589  .0639 Uij ? ?
  H16  .9071  .0879  .1046  .0639 Uij ? ?
  H17  .9370  .1594  .3573  .0582 Uij ? ?
  H18  .7636  .1828  .3065  .0582 Uij ? ?
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
  Pt  .0274(6)  .0320(6)  .0353(6)  -.0089(5)  -.0013(4)  .0023(4)
  I1  .0550(10)
  .0440(10)
  .0470(10)
  -.0090(10)
  .0029(10)  .0109(9)
  I2  .0400(10)
  .0600(10)
  .0440(10)
  -.0170(10)
  .0033(9)  -.0102(10)
  O1  .040(10)
  .040(10)
  .050(10)
  -.017(9)  -.008(9)  .012(9)
  O2  .050(10)
  .050(10)
  .040(10)
  -.012(10)  -.005(9)  .005(9)
  N1  .020(10)
  .040(10)
  .050(10)
  -.010(10)
  -.009(10)  .010(10)
  N2  .020(10)
  .06(2)  .040(10)
  -.030(10)
  .004(9)  -.010(10)
  C1  .04(2)  .07(2)  .05(2)  -.01(2)  .000(10)
  .01(2)
  C2  .06(2)  .04(2)  .08(2)  .00(2)  .02(2)  .04(2)
  C3  .06(2)  .06(2)  .05(2)  -.02(2)  .01(2)  -.01(2)
  C4  .10(3)  .02(2)  .06(2)  -.03(2)  -.03(2)  .010(10)
  C5  .04(2)  .09(3)  .05(2)  -.04(2)  -.010(10)
  .02(2)
  C6  .04(2)  .09(3)  .04(2)  .00(2)  .010(10)
  -.01(2)
  C7  .05(2)  .05(2)  .06(2)  -.01(2)  .02(2)  -.02(2)
  C8  .05(2)  .03(2)  .07(2)  -.010(10)
  .01(2)  .000(10)
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
  Pt I1 ? ? 2.583(3) yes
  Pt I2 ? ? 2.604(2) yes
  Pt N1 ? ? 2.05(2) yes
  Pt N2 ? ? 2.05(2) yes
  O1 N1 ? ? 1.45(2) yes
  O1 C1 ? ? 1.43(3) yes
  O2 N2 ? ? 1.43(2) yes
  O2 C5 ? ? 1.44(3) yes
  N1 C4 ? ? 1.47(3) yes
  N2 C8 ? ? 1.48(3) yes
  C1 C2 ? ? 1.52(4) yes
  C2 C3 ? ? 1.56(4) yes
  C3 C4 ? ? 1.53(4) yes
  C5 C6 ? ? 1.55(4) yes
  C6 C7 ? ? 1.50(4) yes
  C7 C8 ? ? 1.50(3) yes
  N1 H1 ? ?  .87 no
  N2 H2 ? ?  .88 no
  C1 H3 ? ?  .96 no
  C1 H4 ? ?  .96 no
  C2 H5 ? ?  .99 no
  C2 H6 ? ?  .96 no
  C3 H7 ? ?  .97 no
  C3 H8 ? ?  .97 no
  C4 H9 ? ?  .96 no
  C4 H10 ? ?  .98 no
  C5 H11 ? ?  .98 no
  C5 H12 ? ?  .96 no
  C6 H13 ? ?  .97 no
  C6 H14 ? ?  .96 no
  C7 H15 ? ?  .97 no
  C7 H16 ? ?  .97 no
  C8 H17 ? ?  .96 no
  C8 H18 ? ?  .98 no