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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HSEh1PBE/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3742   -1.3742 -0.0000 0.0000
P2 0.0000 0.0000 0.5513   0.5513 0.0000 0.0000
H3 0.0000 -1.1721 -1.6824   -1.6824 1.1721 -0.0000
H4 -1.0150 0.5860 -1.6824   -1.6824 -0.5860 1.0150
H5 1.0150 0.5860 -1.6824   -1.6824 -0.5860 -1.0150
H6 0.0000 1.2420 1.2161   1.2161 -1.2420 0.0000
H7 -1.0756 -0.6210 1.2161   1.2161 0.6210 1.0756
H8 1.0756 -0.6210 1.2161   1.2161 0.6210 -1.0756
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9256 1.2119 1.2119 1.2119 2.8727 2.8727 2.8727
P2 1.9256 2.5225 2.5225 2.5225 1.4087 1.4087 1.4087
H3 1.2119 2.5225 2.0301 2.0301 3.7721 3.1404 3.1404
H4 1.2119 2.5225 2.0301 2.0301 3.1404 3.1404 3.7721
H5 1.2119 2.5225 2.0301 2.0301 3.1404 3.7721 3.1404
H6 2.8727 1.4087 3.7721 3.1404 3.1404 2.1512 2.1512
H7 2.8727 1.4087 3.1404 3.1404 3.7721 2.1512 2.1512
H8 2.8727 1.4087 3.1404 3.7721 3.1404 2.1512 2.1512
Maximum atom distance is 3.7721Å 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 118.159 B1 P2 H7 118.159
B1 P2 H8 118.159 P2 B1 H3 104.731
P2 B1 H4 104.731 P2 B1 H5 104.731
H3 B1 H4 113.767 H3 B1 H5 113.767
H4 B1 H5 113.767 H6 P2 H7 99.552
H6 P2 H8 99.552 H7 P2 H8 99.552

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