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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

wB97X-D/3-21G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2619   -0.2619 0.0000 0.0000
Cl2 0.0000 0.0000 1.7859   1.7859 0.0000 0.0000
F3 0.0000 1.5828 -0.2665   -0.2665 1.5828 0.0000
F4 1.5828 0.0000 -0.2665   -0.2665 0.0000 1.5828
F5 0.0000 -1.5828 -0.2665   -0.2665 -1.5828 0.0000
F6 -1.5828 0.0000 -0.2665   -0.2665 0.0000 -1.5828
F7 0.0000 0.0000 -1.8416   -1.8416 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0478 1.5828 1.5828 1.5828 1.5828 1.5797
Cl2 2.0478 2.5919 2.5919 2.5919 2.5919 3.6274
F3 1.5828 2.5919 2.2385 3.1657 2.2385 2.2330
F4 1.5828 2.5919 2.2385 2.2385 3.1657 2.2330
F5 1.5828 2.5919 3.1657 2.2385 2.2385 2.2330
F6 1.5828 2.5919 2.2385 3.1657 2.2385 2.2330
F7 1.5797 3.6274 2.2330 2.2330 2.2330 2.2330
Maximum atom distance is 3.6274Å 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 90.168 Cl2 S1 F4 90.168
Cl2 S1 F5 90.168 Cl2 S1 F6 90.168
Cl2 S1 F7 180.000 F3 S1 F4 90.000
F3 S1 F5 179.664 F3 S1 F6 90.000
F3 S1 F7 89.832 F4 S1 F5 90.000
F4 S1 F6 179.664 F4 S1 F7 89.832
F5 S1 F6 90.000 F5 S1 F7 89.832
F6 S1 F7 89.832

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