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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2=FULL/daug-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 -1.3996   0.0000 1.3996 -0.0000
P2 0.0000 0.0000 0.5594   0.0000 -0.5594 0.0000
H3 0.0000 -1.1819 -1.6804   -1.1819 1.6804 -0.0000
H4 -1.0236 0.5910 -1.6804   0.5910 1.6804 1.0236
H5 1.0236 0.5910 -1.6804   0.5910 1.6804 -1.0236
H6 0.0000 1.2513 1.2160   1.2513 -1.2160 0.0000
H7 -1.0837 -0.6257 1.2160   -0.6257 -1.2160 1.0837
H8 1.0837 -0.6257 1.2160   -0.6257 -1.2160 -1.0837
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9590 1.2148 1.2148 1.2148 2.8994 2.8994 2.8994
P2 1.9590 2.5325 2.5325 2.5325 1.4131 1.4131 1.4131
H3 1.2148 2.5325 2.0471 2.0471 3.7828 3.1421 3.1421
H4 1.2148 2.5325 2.0471 2.0471 3.1421 3.1421 3.7828
H5 1.2148 2.5325 2.0471 2.0471 3.1421 3.7828 3.1421
H6 2.8994 1.4131 3.7828 3.1421 3.1421 2.1674 2.1674
H7 2.8994 1.4131 3.1421 3.1421 3.7828 2.1674 2.1674
H8 2.8994 1.4131 3.1421 3.7828 3.1421 2.1674 2.1674
Maximum atom distance is 3.7828Å 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 117.685 B1 P2 H7 117.685
B1 P2 H8 117.685 P2 B1 H3 103.367
P2 B1 H4 103.367 P2 B1 H5 103.367
H3 B1 H4 114.823 H3 B1 H5 114.823
H4 B1 H5 114.823 H6 P2 H7 100.149
H6 P2 H8 100.149 H7 P2 H8 100.149

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