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Geometry for SeF6 (Selenium hexafluoride) 1A1G OH

1910171554
InChI=1S/F6Se/c1-7(2,3,4,5)6 INChIKey=LMDVZDMBPZVAIV-UHFFFAOYSA-N

B2PLYP=FULL/cc-pVTZ


Point group is Oh
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.6938   1.6938 0.0000 0.0000
F3 0.0000 1.6938 0.0000   0.0000 1.6938 0.0000
F4 1.6938 0.0000 0.0000   0.0000 0.0000 1.6938
F5 0.0000 -1.6938 0.0000   0.0000 -1.6938 0.0000
F6 -1.6938 0.0000 0.0000   0.0000 0.0000 -1.6938
F7 0.0000 0.0000 -1.6938   -1.6938 0.0000 0.0000
Atom - Atom Distances (Å)
  Se1 F2 F3 F4 F5 F6 F7
Se1 1.6938 1.6938 1.6938 1.6938 1.6938 1.6938
F2 1.6938 2.3953 2.3953 2.3953 2.3953 3.3875
F3 1.6938 2.3953 2.3953 3.3875 2.3953 2.3953
F4 1.6938 2.3953 2.3953 2.3953 3.3875 2.3953
F5 1.6938 2.3953 3.3875 2.3953 2.3953 2.3953
F6 1.6938 2.3953 2.3953 3.3875 2.3953 2.3953
F7 1.6938 3.3875 2.3953 2.3953 2.3953 2.3953
Maximum atom distance is 3.3875Å between atoms F2 and F7.
picture of Selenium hexafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Se1 F3 90.000 F2 Se1 F4 90.000
F2 Se1 F5 90.000 F2 Se1 F6 90.000
F2 Se1 F7 180.000 F3 Se1 F4 90.000
F3 Se1 F5 180.000 F3 Se1 F6 90.000
F3 Se1 F7 90.000 F4 Se1 F5 90.000
F4 Se1 F6 180.000 F4 Se1 F7 90.000
F5 Se1 F6 90.000 F5 Se1 F7 90.000
F6 Se1 F7 90.000

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