Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
HSSSH | trisulfane | rHS | 1.344 | 2.072 | 0.729 |
HSSSH | trisulfane | rHS | 1.344 | 2.072 | 0.729 |
HSSSH | trisulfane | rHS | 1.344 | 2.071 | 0.728 |
HSSSH | trisulfane | rHS | 1.344 | 2.071 | 0.728 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | rAlCl | 2.040 | 2.286 | 0.246 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | rAlCl | 2.240 | 2.086 | -0.154 |
SiC | silicon monocarbide | rCSi | 1.722 | 1.641 | -0.081 |
SF5Cl | sulfur chloropentafluoride | rSCl | 2.030 | 2.087 | 0.057 |