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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP4=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 -1.4086   -1.4086 -0.0000 0.0000
P2 0.0000 0.0000 0.5623   0.5623 0.0000 0.0000
H3 0.0000 -1.1889 -1.6875   -1.6875 1.1889 -0.0000
H4 -1.0296 0.5944 -1.6875   -1.6875 -0.5944 1.0296
H5 1.0296 0.5944 -1.6875   -1.6875 -0.5944 -1.0296
H6 0.0000 1.2500 1.2238   1.2238 -1.2500 0.0000
H7 -1.0825 -0.6250 1.2238   1.2238 0.6250 1.0825
H8 1.0825 -0.6250 1.2238   1.2238 0.6250 -1.0825
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9708 1.2212 1.2212 1.2212 2.9141 2.9141 2.9141
P2 1.9708 2.5446 2.5446 2.5446 1.4143 1.4143 1.4143
H3 1.2212 2.5446 2.0592 2.0592 3.7979 3.1569 3.1569
H4 1.2212 2.5446 2.0592 2.0592 3.1569 3.1569 3.7979
H5 1.2212 2.5446 2.0592 2.0592 3.1569 3.7979 3.1569
H6 2.9141 1.4143 3.7979 3.1569 3.1569 2.1650 2.1650
H7 2.9141 1.4143 3.1569 3.1569 3.7979 2.1650 2.1650
H8 2.9141 1.4143 3.1569 3.7979 3.1569 2.1650 2.1650
Maximum atom distance is 3.7979Å 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 117.891 B1 P2 H7 117.891
B1 P2 H8 117.891 P2 B1 H3 103.203
P2 B1 H4 103.203 P2 B1 H5 103.203
H3 B1 H4 114.945 H3 B1 H5 114.945
H4 B1 H5 114.945 H6 P2 H7 99.890
H6 P2 H8 99.890 H7 P2 H8 99.890

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