Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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G3B3
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.093 | 0.071 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.918 |
Highest value | SSCl2 | Thiothionyl chloride | 2.196 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.180 | 1 | 2 |
SCl | sulfur monochloride | 2.014 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.918 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.048 | 1 | 2 |
2.048 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.146 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.111 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.052 | 1 | 3 |
ClSSCl | Disulfur dichloride | 2.121 | 1 | 3 |
2.121 | 2 | 4 | ||
SSCl2 | Thiothionyl chloride | 2.196 | 2 | 3 |
2.196 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.083 | 1 | 4 |
2.083 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.074 | 1 | 2 |