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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

MP2=FULL/cc-pV(T+d)Z


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.3638   0.0000 1.3638 0.0000
P2 0.0000 0.0000 0.5454   0.0000 -0.5454 -0.0000
H3 0.0000 -1.1615 -1.6488   -1.1615 1.6488 0.0000
H4 -1.0059 0.5808 -1.6488   0.5808 1.6488 1.0059
H5 1.0059 0.5808 -1.6488   0.5808 1.6488 -1.0059
H6 0.0000 1.2323 1.1949   1.2323 -1.1949 -0.0000
H7 -1.0672 -0.6161 1.1949   -0.6161 -1.1949 1.0672
H8 1.0672 -0.6161 1.1949   -0.6161 -1.1949 -1.0672
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9092 1.1959 1.1959 1.1959 2.8400 2.8400 2.8400
P2 1.9092 2.4826 2.4826 2.4826 1.3930 1.3930 1.3930
H3 1.1959 2.4826 2.0118 2.0118 3.7171 3.0859 3.0859
H4 1.1959 2.4826 2.0118 2.0118 3.0859 3.0859 3.7171
H5 1.1959 2.4826 2.0118 2.0118 3.0859 3.7171 3.0859
H6 2.8400 1.3930 3.7171 3.0859 3.0859 2.1344 2.1344
H7 2.8400 1.3930 3.0859 3.0859 3.7171 2.1344 2.1344
H8 2.8400 1.3930 3.0859 3.7171 3.0859 2.1344 2.1344
Maximum atom distance is 3.7171Å 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 117.793 B1 P2 H7 117.793
B1 P2 H8 117.793 P2 B1 H3 103.785
P2 B1 H4 103.785 P2 B1 H5 103.785
H3 B1 H4 114.509 H3 B1 H5 114.509
H4 B1 H5 114.509 H6 P2 H7 100.013
H6 P2 H8 100.013 H7 P2 H8 100.013

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