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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1530 0.5764 0.0000   0.1826 0.5467 0.1530
O2 -1.3004 1.2654 0.0000   0.4009 1.2002 -1.3004
Cl3 0.1530 -0.8742 1.6812   1.3176 -1.3618 0.1530
Cl4 0.1530 -0.8742 -1.6812   -1.8716 -0.2964 0.1530
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6084 2.2205 2.2205
O2 1.6084 3.0849 3.0849
Cl3 2.2205 3.0849 3.3625
Cl4 2.2205 3.0849 3.3625
Maximum atom distance is 3.3625Å 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 106.249 O2 Se1 Cl4 106.249
Cl3 Se1 Cl4 98.424

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