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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CBS-Q


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4406   0.0000 1.4406 0.0000
P2 0.0000 0.0000 0.5793   0.0000 -0.5793 -0.0000
H3 0.0000 -1.1783 -1.7156   -1.1783 1.7156 0.0000
H4 -1.0204 0.5892 -1.7156   0.5892 1.7156 1.0204
H5 1.0204 0.5892 -1.7156   0.5892 1.7156 -1.0204
H6 0.0000 1.2344 1.2198   1.2344 -1.2198 -0.0000
H7 -1.0690 -0.6172 1.2198   -0.6172 -1.2198 1.0690
H8 1.0690 -0.6172 1.2198   -0.6172 -1.2198 -1.0690
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0199 1.2100 1.2100 1.2100 2.9328 2.9328 2.9328
P2 2.0199 2.5797 2.5797 2.5797 1.3906 1.3906 1.3906
H3 1.2100 2.5797 2.0409 2.0409 3.7997 3.1740 3.1740
H4 1.2100 2.5797 2.0409 2.0409 3.1740 3.1740 3.7997
H5 1.2100 2.5797 2.0409 2.0409 3.1740 3.7997 3.1740
H6 2.9328 1.3906 3.7997 3.1740 3.1740 2.1380 2.1380
H7 2.9328 1.3906 3.1740 3.1740 3.7997 2.1380 2.1380
H8 2.9328 1.3906 3.1740 3.7997 3.1740 2.1380 2.1380
Maximum atom distance is 3.7997Å 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 117.424 B1 P2 H7 117.424
B1 P2 H8 117.424 P2 B1 H3 103.136
P2 B1 H4 103.136 P2 B1 H5 103.136
H3 B1 H4 114.994 H3 B1 H5 114.994
H4 B1 H5 114.994 H6 P2 H7 100.476
H6 P2 H8 100.476 H7 P2 H8 100.476

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