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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CISD/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 -1.4959   -1.4959 -0.0000 0.0000
P2 0.0000 0.0000 0.5985   0.5985 0.0000 0.0000
H3 0.0000 -1.1832 -1.7533   -1.7533 1.1832 -0.0000
H4 -1.0247 0.5916 -1.7533   -1.7533 -0.5916 1.0247
H5 1.0247 0.5916 -1.7533   -1.7533 -0.5916 -1.0247
H6 0.0000 1.2634 1.2537   1.2537 -1.2634 0.0000
H7 -1.0941 -0.6317 1.2537   1.2537 0.6317 1.0941
H8 1.0941 -0.6317 1.2537   1.2537 0.6317 -1.0941
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0944 1.2109 1.2109 1.2109 3.0259 3.0259 3.0259
P2 2.0944 2.6327 2.6327 2.6327 1.4232 1.4232 1.4232
H3 1.2109 2.6327 2.0494 2.0494 3.8766 3.2470 3.2470
H4 1.2109 2.6327 2.0494 2.0494 3.2470 3.2470 3.8766
H5 1.2109 2.6327 2.0494 2.0494 3.2470 3.8766 3.2470
H6 3.0259 1.4232 3.8766 3.2470 3.2470 2.1883 2.1883
H7 3.0259 1.4232 3.2470 3.2470 3.8766 2.1883 2.1883
H8 3.0259 1.4232 3.2470 3.8766 3.2470 2.1883 2.1883
Maximum atom distance is 3.8766Å 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 117.409 B1 P2 H7 117.409
B1 P2 H8 117.409 P2 B1 H3 102.273
P2 B1 H4 102.273 P2 B1 H5 102.273
H3 B1 H4 115.608 H3 B1 H5 115.608
H4 B1 H5 115.608 H6 P2 H7 100.494
H6 P2 H8 100.494 H7 P2 H8 100.494

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