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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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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
CID/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 |
-0.2491 |
|
-0.2491 |
0.0000 |
0.0000 |
Cl2 |
0.0000 |
0.0000 |
1.7869 |
|
1.7869 |
0.0000 |
0.0000 |
F3 |
0.0000 |
1.5808 |
-0.2770 |
|
-0.2770 |
1.0317 |
1.1977 |
F4 |
1.5808 |
0.0000 |
-0.2770 |
|
-0.2770 |
1.1977 |
-1.0317 |
F5 |
0.0000 |
-1.5808 |
-0.2770 |
|
-0.2770 |
-1.0317 |
-1.1977 |
F6 |
-1.5808 |
0.0000 |
-0.2770 |
|
-0.2770 |
-1.1977 |
1.0317 |
F7 |
0.0000 |
0.0000 |
-1.8244 |
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-1.8244 |
0.0000 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
Cl2 |
F3 |
F4 |
F5 |
F6 |
F7 |
S1 |
| 2.0360 |
1.5811 |
1.5811 |
1.5811 |
1.5811 |
1.5753 |
Cl2 |
2.0360 |
| 2.5998 |
2.5998 |
2.5998 |
2.5998 |
3.6113 |
F3 |
1.5811 |
2.5998 |
| 2.2356 |
3.1616 |
2.2356 |
2.2121 |
F4 |
1.5811 |
2.5998 |
2.2356 |
| 2.2356 |
3.1616 |
2.2121 |
F5 |
1.5811 |
2.5998 |
3.1616 |
2.2356 |
| 2.2356 |
2.2121 |
F6 |
1.5811 |
2.5998 |
2.2356 |
3.1616 |
2.2356 |
| 2.2121 |
F7 |
1.5753 |
3.6113 |
2.2121 |
2.2121 |
2.2121 |
2.2121 |
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Maximum atom distance is 3.6113Å
between atoms Cl2 and F7.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
S1 |
F3 |
91.014 |
|
Cl2 |
S1 |
F4 |
91.014 |
Cl2 |
S1 |
F5 |
91.014 |
|
Cl2 |
S1 |
F6 |
91.014 |
Cl2 |
S1 |
F7 |
180.000 |
|
F3 |
S1 |
F4 |
89.982 |
F3 |
S1 |
F5 |
177.973 |
|
F3 |
S1 |
F6 |
89.982 |
F3 |
S1 |
F7 |
88.986 |
|
F4 |
S1 |
F5 |
89.982 |
F4 |
S1 |
F6 |
177.973 |
|
F4 |
S1 |
F7 |
88.986 |
F5 |
S1 |
F6 |
89.982 |
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F5 |
S1 |
F7 |
88.986 |
F6 |
S1 |
F7 |
88.986 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.