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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

QCISD(T)=FULL/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 -1.4095   -1.4095 0.0000 -0.0000
P2 0.0000 0.0000 0.5626   0.5626 0.0000 0.0000
H3 0.0000 -1.1898 -1.6888   -1.6888 1.1898 0.0000
H4 -1.0304 0.5949 -1.6888   -1.6888 -0.5949 1.0304
H5 1.0304 0.5949 -1.6888   -1.6888 -0.5949 -1.0304
H6 0.0000 1.2511 1.2249   1.2249 -1.2511 -0.0000
H7 -1.0835 -0.6256 1.2249   1.2249 0.6256 1.0835
H8 1.0835 -0.6256 1.2249   1.2249 0.6256 -1.0835
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9721 1.2221 1.2221 1.2221 2.9163 2.9163 2.9163
P2 1.9721 2.5465 2.5465 2.5465 1.4156 1.4156 1.4156
H3 1.2221 2.5465 2.0607 2.0607 3.8010 3.1594 3.1594
H4 1.2221 2.5465 2.0607 2.0608 3.1594 3.1594 3.8010
H5 1.2221 2.5465 2.0607 2.0608 3.1594 3.8010 3.1594
H6 2.9163 1.4156 3.8010 3.1594 3.1594 2.1670 2.1670
H7 2.9163 1.4156 3.1594 3.1594 3.8010 2.1670 2.1670
H8 2.9163 1.4156 3.1594 3.8010 3.1594 2.1670 2.1670
Maximum atom distance is 3.8010Å 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 117.893 B1 P2 H7 117.893
B1 P2 H8 117.893 P2 B1 H3 103.214
P2 B1 H4 103.214 P2 B1 H5 103.214
H3 B1 H4 114.937 H3 B1 H5 114.937
H4 B1 H5 114.937 H6 P2 H7 99.887
H6 P2 H8 99.887 H7 P2 H8 99.887

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