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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

BLYP/cc-pVTZ


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2729   -0.2729 0.0000 0.0000
Cl2 0.0000 0.0000 1.8716   1.8716 0.0000 0.0000
F3 0.0000 1.6317 -0.2888   -0.2888 1.6317 0.0000
F4 1.6317 0.0000 -0.2888   -0.2888 0.0000 1.6317
F5 0.0000 -1.6317 -0.2888   -0.2888 -1.6317 0.0000
F6 -1.6317 0.0000 -0.2888   -0.2888 0.0000 -1.6317
F7 0.0000 0.0000 -1.8947   -1.8947 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.1445 1.6318 1.6318 1.6318 1.6318 1.6218
Cl2 2.1445 2.7073 2.7073 2.7073 2.7073 3.7663
F3 1.6318 2.7073 2.3076 3.2635 2.3076 2.2894
F4 1.6318 2.7073 2.3076 2.3076 3.2635 2.2894
F5 1.6318 2.7073 3.2635 2.3076 2.3076 2.2894
F6 1.6318 2.7073 2.3076 3.2635 2.3076 2.2894
F7 1.6218 3.7663 2.2894 2.2894 2.2894 2.2894
Maximum atom distance is 3.7663Å 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 90.557 Cl2 S1 F4 90.557
Cl2 S1 F5 90.557 Cl2 S1 F6 90.557
Cl2 S1 F7 180.000 F3 S1 F4 89.995
F3 S1 F5 178.885 F3 S1 F6 89.995
F3 S1 F7 89.443 F4 S1 F5 89.995
F4 S1 F6 178.885 F4 S1 F7 89.443
F5 S1 F6 89.995 F5 S1 F7 89.443
F6 S1 F7 89.443

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