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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

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

QCISD(T)/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1571 0.5955 0.0000   0.1406 0.5787 0.1571
O2 -1.3350 1.2458 0.0000   0.2941 1.2106 -1.3350
Cl3 0.1571 -0.8887 1.6729   1.4159 -1.2585 0.1571
Cl4 0.1571 -0.8887 -1.6729   -1.8354 -0.4686 0.1571
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6277 2.2364 2.2364
O2 1.6277 3.0954 3.0954
Cl3 2.2364 3.0954 3.3459
Cl4 2.2364 3.0954 3.3459
Maximum atom distance is 3.3459Å 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 105.376 O2 Se1 Cl4 105.376
Cl3 Se1 Cl4 96.842

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