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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

B3PW91/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3991   -1.3991 0.0000 -0.0000
P2 0.0000 0.0000 0.5588   0.5588 0.0000 0.0000
H3 0.0000 -1.1343 -1.6861   -1.6861 1.1343 0.0000
H4 -0.9823 0.5671 -1.6861   -1.6861 -0.5671 0.9823
H5 0.9823 0.5671 -1.6861   -1.6861 -0.5671 -0.9823
H6 0.0000 1.2320 1.2239   1.2239 -1.2320 -0.0000
H7 -1.0670 -0.6160 1.2239   1.2239 0.6160 1.0670
H8 1.0670 -0.6160 1.2239   1.2239 0.6160 -1.0670
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9579 1.1700 1.1700 1.1700 2.8979 2.8979 2.8979
P2 1.9579 2.5152 2.5152 2.5152 1.4001 1.4001 1.4001
H3 1.1700 2.5152 1.9646 1.9646 3.7507 3.1425 3.1425
H4 1.1700 2.5152 1.9646 1.9646 3.1425 3.1425 3.7507
H5 1.1700 2.5152 1.9646 1.9646 3.1425 3.7507 3.1425
H6 2.8979 1.4001 3.7507 3.1425 3.1425 2.1339 2.1339
H7 2.8979 1.4001 3.1425 3.1425 3.7507 2.1339 2.1339
H8 2.8979 1.4001 3.1425 3.7507 3.1425 2.1339 2.1339
Maximum atom distance is 3.7507Å 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 118.361 B1 P2 H7 118.361
B1 P2 H8 118.361 P2 B1 H3 104.201
P2 B1 H4 104.201 P2 B1 H5 104.201
H3 B1 H4 114.187 H3 B1 H5 114.187
H4 B1 H5 114.187 H6 P2 H7 99.296
H6 P2 H8 99.296 H7 P2 H8 99.296

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