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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)/TZVP


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2595   -0.2595 0.0000 0.0000
Cl2 0.0000 0.0000 1.8338   1.8338 0.0000 0.0000
F3 0.0000 1.6047 -0.2856   -0.2856 1.6047 0.0000
F4 1.6047 0.0000 -0.2856   -0.2856 0.0000 1.6047
F5 0.0000 -1.6047 -0.2856   -0.2856 -1.6047 0.0000
F6 -1.6047 0.0000 -0.2856   -0.2856 0.0000 -1.6047
F7 0.0000 0.0000 -1.8603   -1.8603 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0933 1.6049 1.6049 1.6049 1.6049 1.6008
Cl2 2.0933 2.6584 2.6584 2.6584 2.6584 3.6941
F3 1.6049 2.6584 2.2694 3.2094 2.2694 2.2483
F4 1.6049 2.6584 2.2694 2.2694 3.2094 2.2483
F5 1.6049 2.6584 3.2094 2.2694 2.2694 2.2483
F6 1.6049 2.6584 2.2694 3.2094 2.2694 2.2483
F7 1.6008 3.6941 2.2483 2.2483 2.2483 2.2483
Maximum atom distance is 3.6941Å 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 90.932 Cl2 S1 F4 90.932
Cl2 S1 F5 90.932 Cl2 S1 F6 90.932
Cl2 S1 F7 180.000 F3 S1 F4 89.985
F3 S1 F5 178.137 F3 S1 F6 89.985
F3 S1 F7 89.068 F4 S1 F5 89.985
F4 S1 F6 178.137 F4 S1 F7 89.068
F5 S1 F6 89.985 F5 S1 F7 89.068
F6 S1 F7 89.068

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