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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4172   -1.4172 0.0000 0.0000
P2 0.0000 0.0000 0.5711   0.5711 0.0000 0.0000
H3 0.0000 -1.1725 -1.6996   -1.6996 -1.1321 -0.3052
H4 -1.0154 0.5863 -1.6996   -1.6996 0.8304 -0.8278
H5 1.0154 0.5863 -1.6996   -1.6996 0.3017 1.1330
H6 0.0000 1.2403 1.2061   1.2061 1.1975 0.3229
H7 -1.0741 -0.6201 1.2061   1.2061 -0.3191 -1.1985
H8 1.0741 -0.6201 1.2061   1.2061 -0.8784 0.8756
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9883 1.2060 1.2060 1.2060 2.9017 2.9017 2.9017
P2 1.9883 2.5555 2.5555 2.5555 1.3934 1.3934 1.3934
H3 1.2060 2.5555 2.0308 2.0308 3.7768 3.1467 3.1467
H4 1.2060 2.5555 2.0308 2.0308 3.1467 3.1467 3.7768
H5 1.2060 2.5555 2.0308 2.0308 3.1467 3.7768 3.1467
H6 2.9017 1.3934 3.7768 3.1467 3.1467 2.1482 2.1482
H7 2.9017 1.3934 3.1467 3.1467 3.7768 2.1482 2.1482
H8 2.9017 1.3934 3.1467 3.7768 3.1467 2.1482 2.1482
Maximum atom distance is 3.7768Å between atoms H3 and H6.
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 117.110 B1 P2 H7 117.110
B1 P2 H8 117.110 P2 B1 H3 103.538
P2 B1 H4 103.538 P2 B1 H5 103.538
H3 B1 H4 114.696 H3 B1 H5 114.696
H4 B1 H5 114.696 H6 P2 H7 100.865
H6 P2 H8 100.865 H7 P2 H8 100.865

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