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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/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 -0.2605   -0.2605 0.0000 0.0000
Cl2 0.0000 0.0000 1.8011   1.8011 0.0000 0.0000
F3 0.0000 1.5724 -0.2779   -0.2779 1.5724 0.0000
F4 1.5724 0.0000 -0.2779   -0.2779 0.0000 1.5724
F5 0.0000 -1.5724 -0.2779   -0.2779 -1.5724 0.0000
F6 -1.5724 0.0000 -0.2779   -0.2779 0.0000 -1.5724
F7 0.0000 0.0000 -1.8272   -1.8272 0.0000 0.0000
Atom - Atom Distances (Å)
  S1 Cl2 F3 F4 F5 F6 F7
S1 2.0616 1.5725 1.5725 1.5725 1.5725 1.5667
Cl2 2.0616 2.6067 2.6067 2.6067 2.6067 3.6284
F3 1.5725 2.6067 2.2237 3.1448 2.2237 2.2074
F4 1.5725 2.6067 2.2237 2.2237 3.1448 2.2074
F5 1.5725 2.6067 3.1448 2.2237 2.2237 2.2074
F6 1.5725 2.6067 2.2237 3.1448 2.2237 2.2074
F7 1.5667 3.6284 2.2074 2.2074 2.2074 2.2074
Maximum atom distance is 3.6284Å 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 90.636 Cl2 S1 F4 90.636
Cl2 S1 F5 90.636 Cl2 S1 F6 90.636
Cl2 S1 F7 180.000 F3 S1 F4 89.993
F3 S1 F5 178.729 F3 S1 F6 89.993
F3 S1 F7 89.364 F4 S1 F5 89.993
F4 S1 F6 178.729 F4 S1 F7 89.364
F5 S1 F6 89.993 F5 S1 F7 89.364
F6 S1 F7 89.364

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