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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

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

M06-2X/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.4066   -1.4066 -0.0000 0.0000
P2 0.0000 0.0000 0.5617   0.5617 0.0000 0.0000
H3 0.0000 -1.1304 -1.6840   -1.6840 1.1304 -0.0000
H4 -0.9790 0.5652 -1.6840   -1.6840 -0.5652 0.9790
H5 0.9790 0.5652 -1.6840   -1.6840 -0.5652 -0.9790
H6 0.0000 1.2236 1.2198   1.2198 -1.2236 0.0000
H7 -1.0596 -0.6118 1.2198   1.2198 0.6118 1.0596
H8 1.0596 -0.6118 1.2198   1.2198 0.6118 -1.0596
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 1.9683 1.1640 1.1640 1.1640 2.8974 2.8974 2.8974
P2 1.9683 2.5142 2.5142 2.5142 1.3893 1.3893 1.3893
H3 1.1640 2.5142 1.9579 1.9579 3.7381 3.1343 3.1343
H4 1.1640 2.5142 1.9579 1.9579 3.1343 3.1343 3.7381
H5 1.1640 2.5142 1.9579 1.9579 3.1343 3.7381 3.1343
H6 2.8974 1.3893 3.7381 3.1343 3.1343 2.1193 2.1193
H7 2.8974 1.3893 3.1343 3.1343 3.7381 2.1193 2.1193
H8 2.8974 1.3893 3.1343 3.7381 3.1343 2.1193 2.1193
Maximum atom distance is 3.7381Å 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 118.274 B1 P2 H7 118.274
B1 P2 H8 118.274 P2 B1 H3 103.789
P2 B1 H4 103.789 P2 B1 H5 103.789
H3 B1 H4 114.505 H3 B1 H5 114.505
H4 B1 H5 114.506 H6 P2 H7 99.406
H6 P2 H8 99.406 H7 P2 H8 99.406

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