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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

B1B95/6-31G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 -0.2564   -0.2564 0.0000 0.0000
Cl2 0.0000 0.0000 1.8057   1.8057 0.0000 0.0000
F3 0.0000 1.5907 -0.2782   -0.2782 1.5907 0.0000
F4 1.5907 0.0000 -0.2782   -0.2782 0.0000 1.5907
F5 0.0000 -1.5907 -0.2782   -0.2782 -1.5907 0.0000
F6 -1.5907 0.0000 -0.2782   -0.2782 0.0000 -1.5907
F7 0.0000 0.0000 -1.8421   -1.8421 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0621 1.5909 1.5909 1.5909 1.5909 1.5857
Cl2 2.0621 2.6216 2.6216 2.6216 2.6216 3.6478
F3 1.5909 2.6216 2.2496 3.1815 2.2496 2.2308
F4 1.5909 2.6216 2.2496 2.2496 3.1815 2.2308
F5 1.5909 2.6216 3.1815 2.2496 2.2496 2.2308
F6 1.5909 2.6216 2.2496 3.1815 2.2496 2.2308
F7 1.5857 3.6478 2.2308 2.2308 2.2308 2.2308
Maximum atom distance is 3.6478Å 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 90.784 Cl2 S1 F4 90.784
Cl2 S1 F5 90.784 Cl2 S1 F6 90.784
Cl2 S1 F7 180.000 F3 S1 F4 89.989
F3 S1 F5 178.432 F3 S1 F6 89.989
F3 S1 F7 89.216 F4 S1 F5 89.989
F4 S1 F6 178.432 F4 S1 F7 89.216
F5 S1 F6 89.989 F5 S1 F7 89.216
F6 S1 F7 89.216

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