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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

CCSD(T)=FULL/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 -0.2584   0.0000 -0.2584 0.0000
Cl2 0.0000 0.0000 1.8333   0.0000 1.8333 0.0000
F3 0.0000 1.6216 -0.2823   1.6216 -0.2823 0.0000
F4 1.6216 0.0000 -0.2823   0.0000 -0.2823 1.6216
F5 0.0000 -1.6216 -0.2823   -1.6216 -0.2823 0.0000
F6 -1.6216 0.0000 -0.2823   0.0000 -0.2823 -1.6216
F7 0.0000 0.0000 -1.8744   0.0000 -1.8744 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0917 1.6218 1.6218 1.6218 1.6218 1.6160
Cl2 2.0917 2.6656 2.6656 2.6656 2.6656 3.7077
F3 1.6218 2.6656 2.2933 3.2432 2.2933 2.2725
F4 1.6218 2.6656 2.2933 2.2933 3.2432 2.2725
F5 1.6218 2.6656 3.2432 2.2933 2.2933 2.2725
F6 1.6218 2.6656 2.2933 3.2432 2.2933 2.2725
F7 1.6160 3.7077 2.2725 2.2725 2.2725 2.2725
Maximum atom distance is 3.7077Å 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 90.845 Cl2 S1 F4 90.845
Cl2 S1 F5 90.845 Cl2 S1 F6 90.845
Cl2 S1 F7 180.000 F3 S1 F4 89.988
F3 S1 F5 178.310 F3 S1 F6 89.988
F3 S1 F7 89.155 F4 S1 F5 89.988
F4 S1 F6 178.310 F4 S1 F7 89.155
F5 S1 F6 89.988 F5 S1 F7 89.155
F6 S1 F7 89.155

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