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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CCD/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4857   0.0000 1.4857 0.0000
P2 0.0000 0.0000 0.5946   0.0000 -0.5946 -0.0000
H3 0.0000 -1.1856 -1.7566   -1.1856 1.7566 0.0000
H4 -1.0268 0.5928 -1.7566   0.5928 1.7566 1.0268
H5 1.0268 0.5928 -1.7566   0.5928 1.7566 -1.0268
H6 0.0000 1.2737 1.2599   1.2737 -1.2599 -0.0000
H7 -1.1031 -0.6369 1.2599   -0.6369 -1.2599 1.1031
H8 1.1031 -0.6369 1.2599   -0.6369 -1.2599 -1.1031
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.0803 1.2162 1.2162 1.2162 3.0267 3.0267 3.0267
P2 2.0803 2.6332 2.6332 2.6332 1.4370 1.4370 1.4370
H3 1.2162 2.6332 2.0536 2.0536 3.8920 3.2584 3.2584
H4 1.2162 2.6332 2.0536 2.0536 3.2584 3.2584 3.8920
H5 1.2162 2.6332 2.0536 2.0536 3.2584 3.8920 3.2584
H6 3.0267 1.4370 3.8920 3.2584 3.2584 2.2062 2.2062
H7 3.0267 1.4370 3.2584 3.2584 3.8920 2.2062 2.2062
H8 3.0267 1.4370 3.2584 3.8920 3.2584 2.2062 2.2062
Maximum atom distance is 3.8920Å 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 117.577 B1 P2 H7 117.577
B1 P2 H8 117.577 P2 B1 H3 102.869
P2 B1 H4 102.869 P2 B1 H5 102.869
H3 B1 H4 115.188 H3 B1 H5 115.188
H4 B1 H5 115.188 H6 P2 H7 100.284
H6 P2 H8 100.284 H7 P2 H8 100.284

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