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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

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

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1529 0.5882 0.0000   0.1838 0.5588 0.1529
O2 -1.2997 1.2513 0.0000   0.3911 1.1887 -1.2997
Cl3 0.1529 -0.8827 1.6734   1.3137 -1.3615 0.1529
Cl4 0.1529 -0.8827 -1.6734   -1.8655 -0.3155 0.1529
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.5968 2.2280 2.2280
O2 1.5968 3.0765 3.0765
Cl3 2.2280 3.0765 3.3469
Cl4 2.2280 3.0765 3.3469
Maximum atom distance is 3.3469Å 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 105.912 O2 Se1 Cl4 105.912
Cl3 Se1 Cl4 97.370

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