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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

1910171554
InChI=1S/Cl2OSe/c1-4(2)3 INChIKey=LIRMPIXWGWLNND-UHFFFAOYSA-N

LSDA/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1534 0.5862 0.0000   0.1850 0.5562 0.1534
O2 -1.3037 1.2594 0.0000   0.3975 1.1951 -1.3037
Cl3 0.1534 -0.8825 1.6791   1.3147 -1.3674 0.1534
Cl4 0.1534 -0.8825 -1.6791   -1.8718 -0.3075 0.1534
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6051 2.2308 2.2308
O2 1.6051 3.0871 3.0871
Cl3 2.2308 3.0871 3.3581
Cl4 2.2308 3.0871 3.3581
Maximum atom distance is 3.3581Å between atoms Cl3 and Cl4.
picture of selenium oxychloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Se1 Cl3 106.031 O2 Se1 Cl4 106.031
Cl3 Se1 Cl4 97.645

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.