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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2/SDD


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4830   -1.4830 0.0000 0.0000
P2 0.0000 0.0000 0.5961   0.5961 0.0000 0.0000
H3 0.0000 -1.1852 -1.7573   -1.7573 -1.1852 0.0000
H4 -1.0264 0.5926 -1.7573   -1.7573 0.5926 -1.0264
H5 1.0264 0.5926 -1.7573   -1.7573 0.5926 1.0264
H6 0.0000 1.2607 1.2486   1.2486 1.2607 0.0000
H7 -1.0918 -0.6303 1.2486   1.2486 -0.6303 -1.0918
H8 1.0918 -0.6303 1.2486   1.2486 -0.6303 1.0918
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0791 1.2165 1.2165 1.2165 3.0085 3.0085 3.0085
P2 2.0791 2.6350 2.6350 2.6350 1.4195 1.4195 1.4195
H3 1.2165 2.6350 2.0528 2.0528 3.8752 3.2458 3.2458
H4 1.2165 2.6350 2.0528 2.0528 3.2458 3.2458 3.8752
H5 1.2165 2.6350 2.0528 2.0528 3.2458 3.8752 3.2458
H6 3.0085 1.4195 3.8752 3.2458 3.2458 2.1835 2.1835
H7 3.0085 1.4195 3.2458 3.2458 3.8752 2.1835 2.1835
H8 3.0085 1.4195 3.2458 3.8752 3.2458 2.1835 2.1835
Maximum atom distance is 3.8752Å 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 117.366 B1 P2 H7 117.366
B1 P2 H8 117.366 P2 B1 H3 103.031
P2 B1 H4 103.031 P2 B1 H5 103.031
H3 B1 H4 115.071 H3 B1 H5 115.071
H4 B1 H5 115.071 H6 P2 H7 100.547
H6 P2 H8 100.547 H7 P2 H8 100.547

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