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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

CCD/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 -1.4152   0.0000 1.4152 0.0000
P2 0.0000 0.0000 0.5655   0.0000 -0.5655 -0.0000
H3 0.0000 -1.1890 -1.6939   -1.1890 1.6939 0.0000
H4 -1.0297 0.5945 -1.6939   0.5945 1.6939 1.0297
H5 1.0297 0.5945 -1.6939   0.5945 1.6939 -1.0297
H6 0.0000 1.2519 1.2250   1.2519 -1.2250 -0.0000
H7 -1.0842 -0.6259 1.2250   -0.6259 -1.2250 1.0842
H8 1.0842 -0.6259 1.2250   -0.6259 -1.2250 -1.0842
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9807 1.2212 1.2212 1.2212 2.9219 2.9219 2.9219
P2 1.9807 2.5532 2.5532 2.5532 1.4149 1.4149 1.4149
H3 1.2212 2.5532 2.0594 2.0594 3.8050 3.1642 3.1642
H4 1.2212 2.5532 2.0594 2.0594 3.1642 3.1642 3.8050
H5 1.2212 2.5532 2.0594 2.0594 3.1642 3.8050 3.1642
H6 2.9219 1.4149 3.8050 3.1642 3.1642 2.1683 2.1683
H7 2.9219 1.4149 3.1642 3.1642 3.8050 2.1683 2.1683
H8 2.9219 1.4149 3.1642 3.8050 3.1642 2.1683 2.1683
Maximum atom distance is 3.8050Å 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 117.779 B1 P2 H7 117.779
B1 P2 H8 117.779 P2 B1 H3 103.191
P2 B1 H4 103.191 P2 B1 H5 103.191
H3 B1 H4 114.954 H3 B1 H5 114.954
H4 B1 H5 114.954 H6 P2 H7 100.031
H6 P2 H8 100.031 H7 P2 H8 100.031

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