data_2006972
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  15
_journal_page_last  16
_publ_section_title
;
cis-Diamminechloro(2,5-dimethylbenzoxazole-N^1^)platinum(II) Nitrate
;
loop_
_publ_author_name
  'Restrepo, Gerson F.'
  'Barnes, Charles L.'
  "C\'adiz, Mayra E."
  'Olivero, Eneida'
  'Huang, Songping D.'
_chemical_formula_moiety  'C9 H15 Cl N4 O4 Pt'
_chemical_formula_sum  'C9 H15 Cl N4 O4 Pt'
_chemical_formula_iupac  '[Pt Cl (N H3)2 (C9 H9 N1 O1)] N1 O3'
_chemical_formula_weight  473.78
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n a 21'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '  -x,  -y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,  +z'
_cell_length_a  7.6750(10)
_cell_length_b  25.400(7)
_cell_length_c  7.270(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1417.3(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  295.2
_exptl_crystal_density_diffrn  2.220
_diffrn_ambient_temperature  295.2
_refine_ls_R_factor_obs  .029
_refine_ls_wR_factor_obs  .033
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  -.20089(3)  -.074329(8)  -.0102  .02846(6) Uij ? ?
  Cl  .0947(3)  -.06285(8)  .0144(6)  .0439(7) Uij ? ?
  O(1)  -.1134(8)  -.1903(2)  -.4105(8)  .0370(10)
  Uij ? ?
  O(2)  -.4740(10)
  -.1277(3)  .367(2)  .088(3) Uij ? ?
  O(3)  -.5060(10)
  -.0461(3)  .418(2)  .102(4) Uij ? ?
  O(4)  -.6140(10)
  -.1006(3)  .6070(10)
  .066(2) Uij ? ?
  N(1)  -.1720(7)  -.1372(3)  -.1790(10)
  .0300(10)
  Uij ? ?
  N(2)  -.4654(8)  -.0817(3)  -.025(4)  .051(2) Uij ? ?
  N(3)  -.2351(9)  -.0133(3)  .1610(10)
  .038(2) Uij ? ?
  N(4)  -.5295(9)  -.0930(3)  .469(2)  .049(2) Uij ? ?
  C(1)  -.1200(10)
  -.1408(3)  -.3490(10)
  .034(2) Uij ? ?
  C(2)  -.2700(10)
  -.2107(4)  .0410(10)
  .037(2) Uij ? ?
  C(3)  -.2860(10)
  -.2647(4)  .0520(10)
  .038(2) Uij ? ?
  C(4)  -.2470(10)
  -.2957(3)  -.1010(10)
  .037(2) Uij ? ?
  C(5)  -.1890(10)
  -.2758(3)  -.2630(10)
  .041(2) Uij ? ?
  C(6)  -.1710(10)
  -.2216(3)  -.2680(10)
  .033(2) Uij ? ?
  C(7)  -.2100(10)
  -.1905(3)  -.1220(10)
  .030(2) Uij ? ?
  C(8)  -.0630(10)
  -.0980(4)  -.4680(10)
  .051(3) Uij ? ?
  C(9)  -.342(2)  -.2903(4)  .229(2)  .059(3) Uij ? ?
  H(1)  -.2981  -.1878  .1437  .0445 Uij ? ?
  H(2)  -.2608  -.3332  -.0911  .0439 Uij ? ?
  H(3)  -.1651  -.2980  -.3672  .0488 Uij ? ?
  H(4)  -.0737  -.0654  -.4054  .0586 Uij ? ?
  H(5)  .0562  -.1034  -.5011  .0586 Uij ? ?
  H(6)  -.1321  -.0975  -.5763  .0586 Uij ? ?
  H(7)  -.3625  -.2645  .3180  .0699 Uij ? ?
  H(8)  -.4455  -.3104  .2081  .0699 Uij ? ?
  H(9)  -.2527  -.3140  .2714  .0699 Uij ? ?
  H(10)  -.4967  -.1107  -.0968  .0647 Uij ? ?
  H(11)  -.5101  -.0881  .1010  .0647 Uij ? ?
  H(12)  -.5165  -.0505  -.0672  .0647 Uij ? ?
  H(13)  -.2946  -.0238  .2682  .0473 Uij ? ?
  H(14)  -.3009  .0139  .1004  .0473 Uij ? ?
  H(15)  -.1242  .0013  .1945  .0473 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  .03480(10)
  .02480(10)
  .02580(10)
  .00290(10)
  .0039(3)  .0011(3)
  Cl  .0372(8)  .0456(10)  .049(3)  -.0066(8)  .0040(10)
  -.0009(10)
  O(1)  .045(3)  .042(2)  .024(3)  .000(3)  .009(3)  -.003(2)
  O(2)  .104(7)  .071(5)  .090(7)  .009(5)  .039(6)  -.031(5)
  O(3)  .122(6)  .048(3)  .130(10)
  .015(4)  .073(8)  .016(5)
  O(4)  .082(6)  .068(5)  .047(4)  -.001(5)  .019(5)  .001(4)
  N(1)  .026(3)  .032(2)  .033(3)  .001(2)  .004(3)  -.005(2)
  N(2)  .034(2)  .074(5)  .044(6)  .013(3)  -.006(8)  -.005(7)
  N(3)  .048(4)  .027(3)  .040(4)  .007(3)  .005(3)  -.007(2)
  N(4)  .042(3)  .055(3)  .048(5)  .007(3)  -.007(5)  .014(4)
  C(1)  .029(3)  .042(3)  .031(3)  -.007(3)  -.002(3)  -.004(3)
  C(2)  .039(5)  .042(3)  .030(4)  -.004(4)  .001(3)  -.006(3)
  C(3)  .035(4)  .041(3)  .038(3)  .004(4)  -.010(3)  .001(3)
  C(4)  .038(4)  .027(3)  .047(4)  -.002(3)  -.004(4)  -.001(3)
  C(5)  .048(5)  .033(3)  .041(4)  .002(4)  .000(4)  -.011(3)
  C(6)  .042(4)  .033(3)  .024(3)  .002(3)  -.004(3)  -.003(2)
  C(7)  .030(4)  .030(3)  .030(3)  .003(3)  -.004(3)  -.007(2)
  C(8)  .073(7)  .041(4)  .041(7)  -.005(4)  .014(4)  .003(3)
  C(9)  .073(7)  .050(6)  .055(6)  -.003(5)  .007(5)  .030(5)
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 Cl ? ? 2.294(3) yes
  Pt N(1) ? ? 2.027(7) yes
  Pt N(2) ? ? 2.042(7) yes
  Pt N(3) ? ? 2.007(8) yes
  O(1) C(1) ? ? 1.340(10)
  yes
  O(1) C(6) ? ? 1.380(10)
  yes
  O(2) N(4) ? ? 1.23(2) No
  O(3) N(4) ? ? 1.260(10)
  No
  O(4) N(4) ? ? 1.21(2) No
  N(1) C(1) ? ? 1.300(10)
  yes
  N(1) C(7) ? ? 1.450(10)
  yes
  C(1) C(8) ? ? 1.460(10)
  No
  C(2) C(3) ? ? 1.380(10)
  No
  C(2) C(7) ? ? 1.370(10)
  No
  C(3) C(4) ? ? 1.400(10)
  No
  C(3) C(9) ? ? 1.50(2) No
  C(4) C(5) ? ? 1.36(2) No
  C(5) C(6) ? ? 1.380(10)
  No
  C(6) C(7) ? ? 1.360(10)
  No