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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2S2 | Disulfane | -0.020 |
Most positive difference | S4 | Sulfur tetramer | 0.045 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2S2 | Disulfane | 2.056 | -0.020 |
HSSSH | trisulfane | 2.054 | -0.015 |
FSSF | Difluorodisulfane | 1.890 | -0.015 |
CH3SSH | Hydrogen methyl disulfide | 2.038 | -0.012 |
S4 | Sulfur tetramer | 1.898 | -0.008 |
S2 | Sulfur diatomic | 1.889 | 0.004 |
S4 | Sulfur tetramer | 2.155 | 0.045 |