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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

B2PLYP/6-31G**


Point group is D2d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 0.8457   0.8457 0.0000 0.0000
B2 0.0000 0.0000 -0.8457   -0.8457 0.0000 0.0000
Cl3 0.0000 1.5134 1.7264   1.7264 1.5134 0.0000
Cl4 0.0000 -1.5134 1.7264   1.7264 -1.5134 0.0000
Cl5 1.5134 0.0000 -1.7264   -1.7264 0.0000 1.5134
Cl6 -1.5134 0.0000 -1.7264   -1.7264 0.0000 -1.5134
Atom - Atom Distances (Å)
  B1 B2 Cl3 Cl4 Cl5 Cl6
B1 1.6914 1.7510 1.7510 2.9843 2.9843
B2 1.6914 2.9843 2.9843 1.7510 1.7510
Cl3 1.7510 2.9843 3.0269 4.0623 4.0623
Cl4 1.7510 2.9843 3.0269 4.0623 4.0623
Cl5 2.9843 1.7510 4.0623 4.0623 3.0269
Cl6 2.9843 1.7510 4.0623 4.0623 3.0269
Maximum atom distance is 4.0623Å 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 120.195 B1 B2 Cl6 120.195
B2 B1 Cl3 120.195 B2 B1 Cl4 120.195
Cl3 B1 Cl4 119.610 Cl5 B2 Cl6 119.610

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