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Geometry for B2Cl4 (Diboron tetrachloride) 1A1 D2

1910171554
InChI=1S/B2Cl4/c3-1(4)2(5)6 INChIKey=LCWVIHDXYOFGEG-UHFFFAOYSA-N

mPW1PW91/6-31G(2df,p)


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8446   0.0000 0.8446 0.0000
B2 0.0000 0.0000 -0.8446   0.0000 -0.8446 0.0000
Cl3 0.0000 1.5090 1.7245   1.5090 1.7245 0.0000
Cl4 0.0000 -1.5090 1.7245   -1.5090 1.7245 0.0000
Cl5 1.5090 0.0000 -1.7245   0.0000 -1.7245 1.5090
Cl6 -1.5090 0.0000 -1.7245   0.0000 -1.7245 -1.5090
Atom - Atom Distances (Å)
  B1 B2 Cl3 Cl4 Cl5 Cl6
B1 1.6891 1.7468 1.7468 2.9795 2.9795
B2 1.6891 2.9795 2.9795 1.7468 1.7468
Cl3 1.7468 2.9795 3.0181 4.0558 4.0558
Cl4 1.7468 2.9795 3.0181 4.0558 4.0558
Cl5 2.9795 1.7468 4.0558 4.0558 3.0181
Cl6 2.9795 1.7468 4.0558 4.0558 3.0181
Maximum atom distance is 4.0558Å between atoms Cl3 and Cl5.
picture of Diboron tetrachloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 B2 Cl5 120.247 B1 B2 Cl6 120.247
B2 B1 Cl3 120.247 B2 B1 Cl4 120.247
Cl3 B1 Cl4 119.506 Cl5 B2 Cl6 119.506

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