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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

B3PW91/6-31G(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 -0.2666   -0.2666 0.0000 0.0000
Cl2 0.0000 0.0000 1.8127   1.8127 0.0000 0.0000
F3 0.0000 1.5776 -0.2778   -0.2778 1.5776 0.0000
F4 1.5776 0.0000 -0.2778   -0.2778 0.0000 1.5776
F5 0.0000 -1.5776 -0.2778   -0.2778 -1.5776 0.0000
F6 -1.5776 0.0000 -0.2778   -0.2778 0.0000 -1.5776
F7 0.0000 0.0000 -1.8390   -1.8390 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0793 1.5777 1.5777 1.5777 1.5777 1.5724
Cl2 2.0793 2.6190 2.6190 2.6190 2.6190 3.6517
F3 1.5777 2.6190 2.2311 3.1552 2.2311 2.2195
F4 1.5777 2.6190 2.2311 2.2311 3.1552 2.2195
F5 1.5777 2.6190 3.1552 2.2311 2.2311 2.2195
F6 1.5777 2.6190 2.2311 3.1552 2.2311 2.2195
F7 1.5724 3.6517 2.2195 2.2195 2.2195 2.2195
Maximum atom distance is 3.6517Å 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 90.406 Cl2 S1 F4 90.406
Cl2 S1 F5 90.406 Cl2 S1 F6 90.406
Cl2 S1 F7 180.000 F3 S1 F4 89.997
F3 S1 F5 179.188 F3 S1 F6 89.997
F3 S1 F7 89.594 F4 S1 F5 89.997
F4 S1 F6 179.188 F4 S1 F7 89.594
F5 S1 F6 89.997 F5 S1 F7 89.594
F6 S1 F7 89.594

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