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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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| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rSS | 1.890 | 1 | 2 | 2016Cor/Fer:551 | |||
| rFS | 1.635 | 1 | 3 | 2016Cor/Fer:551 | |||
| aSSF | 108.3 | 1 | 2 | 4 | 2016Cor/Fer:551 | ||
| dFSSF | 87.7 | 3 | 1 | 2 | 4 | 2016Cor/Fer:551 | |
| Bond Type | Count |
|---|---|
| S-S | 1 |
| F-S | 2 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| S1 | -0.3860 | 0.8626 | -0.4030 |
| S2 | 0.3860 | -0.8626 | -0.4030 |
| F3 | 0.3860 | 1.7704 | 0.7165 |
| F4 | -0.3860 | -1.7704 | 0.7165 |
| S1 | S2 | F3 | F4 | |
|---|---|---|---|---|
| S1 | 1.8900 | 1.6350 | 2.8611 | |
| S2 | 1.8900 | 2.8611 | 1.6350 | |
| F3 | 1.6350 | 2.8611 | 3.6240 | |
| F4 | 2.8611 | 1.6350 | 3.6240 |
| squib | reference | DOI |
|---|---|---|
| 2016Cor/Fer:551 | AC Coronel, LE Fernandez, EL Varetti "Trends in the Structural and Vibratioanl Properties of the Disulfanes S2X2 (X=H, Halogen, CH3, CF3)" Z. Anorg. Allg. Chem. 2016, 642, (7), 551-554 | 10.1002/zaac.201600056 |
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