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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

QCISD(T)/aug-cc-pVDZ


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2577   -0.2577 0.0000 0.0000
Cl2 0.0000 0.0000 1.8364   1.8364 0.0000 0.0000
F3 0.0000 1.6256 -0.2830   -0.2830 1.6256 0.0000
F4 1.6256 0.0000 -0.2830   -0.2830 0.0000 1.6256
F5 0.0000 -1.6256 -0.2830   -0.2830 -1.6256 0.0000
F6 -1.6256 0.0000 -0.2830   -0.2830 0.0000 -1.6256
F7 0.0000 0.0000 -1.8785   -1.8785 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0940 1.6258 1.6258 1.6258 1.6258 1.6208
Cl2 2.0940 2.6710 2.6710 2.6710 2.6710 3.7148
F3 1.6258 2.6710 2.2990 3.2513 2.2990 2.2778
F4 1.6258 2.6710 2.2990 2.2990 3.2513 2.2778
F5 1.6258 2.6710 3.2513 2.2990 2.2990 2.2778
F6 1.6258 2.6710 2.2990 3.2513 2.2990 2.2778
F7 1.6208 3.7148 2.2778 2.2778 2.2778 2.2778
Maximum atom distance is 3.7148Å 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 90.893 Cl2 S1 F4 90.893
Cl2 S1 F5 90.893 Cl2 S1 F6 90.893
Cl2 S1 F7 180.000 F3 S1 F4 89.986
F3 S1 F5 178.213 F3 S1 F6 89.986
F3 S1 F7 89.107 F4 S1 F5 89.986
F4 S1 F6 178.213 F4 S1 F7 89.107
F5 S1 F6 89.986 F5 S1 F7 89.107
F6 S1 F7 89.107

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