data_2011272
_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 H14 I2 N2 O2 Pt'
_chemical_formula_sum  'C8 H14 I2 N2 O2 Pt'
_chemical_formula_iupac  '[Pt (C4 H7 N O)2 I2]'
_chemical_formula_weight  619.11
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '1/2-x,1/2+y,1/2-z'
  '  -x,  -y,  -z'
  '1/2+x,1/2-y,1/2+z'
_cell_length_a  10.146(4)
_cell_length_b  9.003(7)
_cell_length_c  15.035(2)
_cell_angle_alpha  90
_cell_angle_beta  92.28(2)
_cell_angle_gamma  90
_cell_volume  1372.0(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  2.996
_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  .42222(5)  .17948(6)  .94926(3)  .03800(10)
  Uij ? ?
  I1  .46637(10)  .21387(10) 1.11910(6)  .0532(3) Uij ? ?
  I2  .17500(9)  .13010(10)
  .97163(6)  .0592(3) Uij ? ?
  O1  .4186(9)  .2999(10)  .7707(6)  .056(3) Uij ? ?
  O2  .6654(8)  .1700(10)
  .8513(5)  .048(3) Uij ? ?
  N1  .4065(10)  .1520(10)
  .8104(6)  .045(3) Uij ? ?
  N2  .6197(10)  .2330(10)
  .9333(7)  .048(4) Uij ? ?
  C1  .4710(10)
  .278(2)  .6834(10)  .068(6) Uij ? ?
  C2  .406(2)  .161(2)  .6303(9)  .068(6) Uij ? ?
  C3  .3240(10)
  .071(2)  .6646(9)  .060(5) Uij ? ?
  C4  .2990(10)
  .073(2)  .7613(9)  .053(5) Uij ? ?
  C5  .8100(10)
  .183(2)  .8465(9)  .057(5) Uij ? ?
  C6  .8540(10)
  .337(2)  .8684(9)  .056(5) Uij ? ?
  C7  .7820(10)
  .432(2)  .9066(10)  .059(5) Uij ? ?
  C8  .6440(10)
  .398(2)  .9318(9)  .052(5) Uij ? ?
  H1  .4715  .0886  .8094  .0543 Uij ? ?
  H2  .6823  .1803  .9586  .0570 Uij ? ?
  H3  .4665  .3717  .6504  .0736 Uij ? ?
  H4  .5656  .2559  .6901  .0736 Uij ? ?
  H5  .4263  .1525  .5679  .0773 Uij ? ?
  H6  .2782  -.0009  .6265  .0714 Uij ? ?
  H7  .2149  .1217  .7713  .0609 Uij ? ?
  H8  .2891  -.0280  .7837  .0609 Uij ? ?
  H9  .8358  .1566  .7896  .0664 Uij ? ?
  H10  .8508  .1168  .8899  .0664 Uij ? ?
  H11  .9425  .3688  .8515  .0652 Uij ? ?
  H12  .8196  .5296  .9223  .0708 Uij ? ?
  H13  .5807  .4443  .8894  .0597 Uij ? ?
  H14  .6245  .4417  .9894  .0597 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  .0370(3)  .0423(3)  .0351(3)  .0021(3)  .0072(2)  .0029(3)
  I1  .0678(7)  .0555(6)  .0366(5)  .0046(5)  .0060(5)  -.0004(4)
  I2  .0405(6)  .0836(8)  .0543(6)  -.0038(5)  .0140(5)  -.0018(6)
  O1  .071(7)  .051(6)  .046(6)  .006(5)  .007(5)  .016(5)
  O2  .041(5)  .058(6)  .044(5)  .002(5)  .011(4)  -.004(5)
  N1  .050(7)  .055(8)  .031(6)  .012(6)  .007(5)  .007(5)
  N2  .031(6)  .069(9)  .046(7)  .008(6)  .002(5)  -.001(6)
  C1  .060(10)
  .090(10)
  .050(9)  .022(10)  .030(8)  .037(9)
  C2  .060(10)
  .100(10)
  .042(9)  .000(10)
  .000(8)  -.002(10)
  C3  .048(9)  .090(10)
  .040(9)  .008(9)  -.014(7)  -.004(9)
  C4  .036(8)  .060(10)
  .059(10)  -.001(8)  -.002(7)  -.005(8)
  C5  .034(8)  .080(10)
  .060(9)  .004(9)  .017(7)  .027(9)
  C6  .053(9)  .070(10)
  .045(9)  -.020(9)  -.002(7)  .003(8)
  C7  .054(10)  .060(10)
  .060(10)
  -.017(9)  .009(8)  -.002(9)
  C8  .070(10)
  .041(9)  .048(9)  -.007(8)  -.003(8)  -.010(7)
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 ? ? 2.5930(10)
  yes
  Pt I2 ? ? 2.5820(10)
  yes
  Pt N1 ? ? 2.103(9) yes
  Pt N2 ? ? 2.085(10) yes
  O1 N1 ? ? 1.470(10)
  yes
  O1 C1 ? ? 1.450(10)
  yes
  O2 N2 ? ? 1.450(10)
  yes
  O2 C5 ? ? 1.470(10)
  yes
  N1 C4 ? ? 1.470(10)
  yes
  N2 C8 ? ? 1.50(2) yes
  C1 C2 ? ? 1.46(2) yes
  C2 C3 ? ? 1.28(2) yes
  C3 C4 ? ? 1.49(2) yes
  C5 C6 ? ? 1.49(2) yes
  C6 C7 ? ? 1.28(2) yes
  C7 C8 ? ? 1.50(2) yes
  N1 H1 ? ?  .87 no
  N2 H2 ? ?  .87 no
  C1 H3 ? ?  .98 no
  C1 H4 ? ?  .98 no
  C2 H5 ? ?  .97 no
  C3 H6 ? ?  .97 no
  C4 H7 ? ?  .97 no
  C4 H8 ? ?  .98 no
  C5 H9 ? ?  .93 no
  C5 H10 ? ?  .96 no
  C6 H11 ? ?  .98 no
  C7 H12 ? ?  .98 no
  C8 H13 ? ?  .98 no
  C8 H14 ? ?  .98 no