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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

HF/CEP-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 -1.5694   -1.5694 -0.0000 0.0000
P2 0.0000 0.0000 0.6262   0.6262 0.0000 0.0000
H3 0.0000 -1.1868 -1.8036   -1.8036 1.1868 -0.0000
H4 -1.0278 0.5934 -1.8036   -1.8036 -0.5934 1.0278
H5 1.0278 0.5934 -1.8036   -1.8036 -0.5934 -1.0278
H6 0.0000 1.2579 1.2884   1.2884 -1.2579 0.0000
H7 -1.0894 -0.6289 1.2884   1.2884 0.6289 1.0894
H8 1.0894 -0.6289 1.2884   1.2884 0.6289 -1.0894
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.1956 1.2097 1.2097 1.2097 3.1224 3.1224 3.1224
P2 2.1956 2.7042 2.7042 2.7042 1.4215 1.4215 1.4215
H3 1.2097 2.7042 2.0556 2.0556 3.9417 3.3254 3.3254
H4 1.2097 2.7042 2.0556 2.0556 3.3254 3.3254 3.9417
H5 1.2097 2.7042 2.0556 2.0556 3.3254 3.9417 3.3254
H6 3.1224 1.4215 3.9417 3.3254 3.3254 2.1787 2.1787
H7 3.1224 1.4215 3.3254 3.3254 3.9417 2.1787 2.1787
H8 3.1224 1.4215 3.3254 3.9417 3.3254 2.1787 2.1787
Maximum atom distance is 3.9417Å 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 117.764 B1 P2 H7 117.764
B1 P2 H8 117.764 P2 B1 H3 101.162
P2 B1 H4 101.162 P2 B1 H5 101.162
H3 B1 H4 116.346 H3 B1 H5 116.346
H4 B1 H5 116.346 H6 P2 H7 100.050
H6 P2 H8 100.050 H7 P2 H8 100.050

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