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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

B97D3/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4060   -1.4060 0.0000 0.0000
P2 0.0000 0.0000 0.5586   0.5586 0.0000 0.0000
H3 0.0000 -1.1907 -1.6852   -1.6852 -0.7526 -0.9226
H4 -1.0312 0.5953 -1.6852   -1.6852 -0.4227 1.1131
H5 1.0312 0.5953 -1.6852   -1.6852 1.1753 -0.1905
H6 0.0000 1.2577 1.2354   1.2354 0.7950 0.9746
H7 -1.0892 -0.6289 1.2354   1.2354 -1.2415 0.2012
H8 1.0892 -0.6289 1.2354   1.2354 0.4465 -1.1758
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9646 1.2230 1.2230 1.2230 2.9255 2.9255 2.9255
P2 1.9646 2.5402 2.5402 2.5402 1.4282 1.4282 1.4282
H3 1.2230 2.5402 2.0623 2.0623 3.8111 3.1673 3.1673
H4 1.2230 2.5402 2.0623 2.0623 3.1673 3.1673 3.8111
H5 1.2230 2.5402 2.0623 2.0623 3.1673 3.8111 3.1673
H6 2.9255 1.4282 3.8111 3.1673 3.1673 2.1784 2.1784
H7 2.9255 1.4282 3.1673 3.1673 3.8111 2.1784 2.1784
H8 2.9255 1.4282 3.1673 3.8111 3.1673 2.1784 2.1784
Maximum atom distance is 3.8111Å 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 118.285 B1 P2 H7 118.285
B1 P2 H8 118.285 P2 B1 H3 103.196
P2 B1 H4 103.196 P2 B1 H5 103.196
H3 B1 H4 114.950 H3 B1 H5 114.950
H4 B1 H5 114.950 H6 P2 H7 99.392
H6 P2 H8 99.392 H7 P2 H8 99.392

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