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Geometry for SF5Cl (sulfur chloropentafluoride) 1A1 C4V

1910171554
InChI=1S/ClF5S/c1-7(2,3,4,5)6 INChIKey=GSYNTTDHMKSMFY-UHFFFAOYSA-N

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2712   -0.2712 0.0000 0.0000
Cl2 0.0000 0.0000 1.8288   1.8288 0.0000 0.0000
F3 0.0000 1.5836 -0.2810   -0.2810 1.5836 0.0000
F4 1.5836 0.0000 -0.2810   -0.2810 0.0000 1.5836
F5 0.0000 -1.5836 -0.2810   -0.2810 -1.5836 0.0000
F6 -1.5836 0.0000 -0.2810   -0.2810 0.0000 -1.5836
F7 0.0000 0.0000 -1.8483   -1.8483 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.1000 1.5836 1.5836 1.5836 1.5836 1.5771
Cl2 2.1000 2.6379 2.6379 2.6379 2.6379 3.6771
F3 1.5836 2.6379 2.2395 3.1671 2.2395 2.2281
F4 1.5836 2.6379 2.2395 2.2395 3.1671 2.2281
F5 1.5836 2.6379 3.1671 2.2395 2.2395 2.2281
F6 1.5836 2.6379 2.2395 3.1671 2.2395 2.2281
F7 1.5771 3.6771 2.2281 2.2281 2.2281 2.2281
Maximum atom distance is 3.6771Å between atoms Cl2 and F7.
picture of sulfur chloropentafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 S1 F3 90.261 Cl2 S1 F4 90.261
Cl2 S1 F5 90.261 Cl2 S1 F6 90.261
Cl2 S1 F7 180.000 F3 S1 F4 89.999
F3 S1 F5 179.478 F3 S1 F6 89.999
F3 S1 F7 89.739 F4 S1 F5 89.999
F4 S1 F6 179.478 F4 S1 F7 89.739
F5 S1 F6 89.999 F5 S1 F7 89.739
F6 S1 F7 89.739

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