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Geometry for PF6 (Hexafluorophosphate neutral) 2B2 C2V

1910171554
InChI=1S/F6P/c1-7(2,3,4,5)6 INChIKey=WBPJDOUFWQVMRN-UHFFFAOYSA-N

PBEPBE/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1870   0.0000 0.0000 0.1870
F2 0.0000 1.3425 1.2238   0.0000 1.3425 1.2238
F3 0.0000 -1.3425 1.2238   0.0000 -1.3425 1.2238
F4 1.6979 0.0000 0.0479   1.6979 0.0000 0.0479
F5 -1.6979 0.0000 0.0479   -1.6979 0.0000 0.0479
F6 0.0000 0.9997 -1.4275   0.0000 0.9997 -1.4275
F7 0.0000 -0.9997 -1.4275   0.0000 -0.9997 -1.4275
Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6 F7
P1 1.6962 1.6962 1.7036 1.7036 1.8990 1.8990
F2 1.6962 2.6850 2.4633 2.4633 2.6734 3.5377
F3 1.6962 2.6850 2.4633 2.4633 3.5377 2.6734
F4 1.7036 2.4633 2.4633 3.3959 2.4615 2.4615
F5 1.7036 2.4633 2.4633 3.3959 2.4615 2.4615
F6 1.8990 2.6734 3.5377 2.4615 2.4615 1.9994
F7 1.8990 3.5377 2.6734 2.4615 2.4615 1.9994
Maximum atom distance is 3.5377Å between atoms F2 and F7.
picture of Hexafluorophosphate neutral
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 P1 F3 104.642 F2 P1 F4 92.861
F2 P1 F5 92.861 F2 P1 F6 95.914
F2 P1 F7 159.444 F3 P1 F4 92.861
F3 P1 F5 92.861 F3 P1 F6 159.444
F3 P1 F7 95.914 F4 P1 F5 170.633
F4 P1 F6 86.019 F4 P1 F7 86.019
F5 P1 F6 86.019 F5 P1 F7 86.019
F6 P1 F7 63.530

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