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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CID/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4875   -1.4875 -0.0000 0.0000
P2 0.0000 0.0000 0.5959   0.5959 0.0000 0.0000
H3 0.0000 -1.1823 -1.7562   -1.7562 1.1823 -0.0000
H4 -1.0239 0.5911 -1.7562   -1.7562 -0.5911 1.0239
H5 1.0239 0.5911 -1.7562   -1.7562 -0.5911 -1.0239
H6 0.0000 1.2692 1.2560   1.2560 -1.2692 0.0000
H7 -1.0991 -0.6346 1.2560   1.2560 0.6346 1.0991
H8 1.0991 -0.6346 1.2560   1.2560 0.6346 -1.0991
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0834 1.2124 1.2124 1.2124 3.0229 3.0229 3.0229
P2 2.0834 2.6325 2.6325 2.6325 1.4306 1.4306 1.4306
H3 1.2124 2.6325 2.0477 2.0477 3.8837 3.2529 3.2529
H4 1.2124 2.6325 2.0477 2.0477 3.2529 3.2529 3.8837
H5 1.2124 2.6325 2.0477 2.0477 3.2529 3.8837 3.2529
H6 3.0229 1.4306 3.8837 3.2529 3.2529 2.1983 2.1983
H7 3.0229 1.4306 3.2529 3.2529 3.8837 2.1983 2.1983
H8 3.0229 1.4306 3.2529 3.8837 3.2529 2.1983 2.1983
Maximum atom distance is 3.8837Å 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 117.480 B1 P2 H7 117.480
B1 P2 H8 117.480 P2 B1 H3 102.804
P2 B1 H4 102.804 P2 B1 H5 102.804
H3 B1 H4 115.235 H3 B1 H5 115.235
H4 B1 H5 115.235 H6 P2 H7 100.405
H6 P2 H8 100.405 H7 P2 H8 100.406

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