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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

1910171554
InChI=1S/BH6P/c1-2/h1-2H3 INChIKey=

QCISD(T)=FULL/daug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4121   0.0000 1.4121 0.0000
P2 0.0000 0.0000 0.5637   0.0000 -0.5637 -0.0000
H3 0.0000 -1.1869 -1.6914   -1.1869 1.6914 0.0000
H4 -1.0279 0.5935 -1.6914   0.5935 1.6914 1.0279
H5 1.0279 0.5935 -1.6914   0.5935 1.6914 -1.0279
H6 0.0000 1.2543 1.2264   1.2543 -1.2264 -0.0000
H7 -1.0863 -0.6272 1.2264   -0.6272 -1.2264 1.0863
H8 1.0863 -0.6272 1.2264   -0.6272 -1.2264 -1.0863
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9758 1.2193 1.2193 1.2193 2.9215 2.9215 2.9215
P2 1.9758 2.5484 2.5484 2.5484 1.4186 1.4186 1.4186
H3 1.2193 2.5484 2.0558 2.0558 3.8044 3.1634 3.1634
H4 1.2193 2.5484 2.0558 2.0558 3.1634 3.1634 3.8044
H5 1.2193 2.5484 2.0558 2.0558 3.1634 3.8044 3.1634
H6 2.9215 1.4186 3.8044 3.1634 3.1634 2.1726 2.1726
H7 2.9215 1.4186 3.1634 3.1634 3.8044 2.1726 2.1726
H8 2.9215 1.4186 3.1634 3.8044 3.1634 2.1726 2.1726
Maximum atom distance is 3.8044Å between atoms H4 and H8.
picture of borane phosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 P2 H6 117.848 B1 P2 H7 117.848
B1 P2 H8 117.848 P2 B1 H3 103.243
P2 B1 H4 103.243 P2 B1 H5 103.243
H3 B1 H4 114.916 H3 B1 H5 114.916
H4 B1 H5 114.916 H6 P2 H7 99.944
H6 P2 H8 99.944 H7 P2 H8 99.944

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