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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 > Experimental Geometries OR Experimental > Geometry > Experimental Geometries | |
| A | B | C |
|---|---|---|
| 4.89866 | 0.23251 | 0.23242 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rSS | 2.056 | 1 | 2 | 1991Beh/Mit:99 | |||
| rSH | 1.342 | 1 | 3 | 1991Beh/Mit:99 | |||
| aHSS | 97.88 | 1 | 2 | 4 | 1991Beh/Mit:99 | ||
| dHSSH | 90.3 | 3 | 1 | 2 | 4 | 1991Beh/Mit:99 | |
| Bond Type | Count |
|---|---|
| H-S | 2 |
| S-S | 1 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| S1 | 0.0000 | 1.0282 | -0.0552 |
| S2 | 0.0000 | -1.0282 | -0.0552 |
| H3 | 0.9425 | 1.2122 | 0.8824 |
| H4 | -0.9425 | -1.2122 | 0.8824 |
| S1 | S2 | H3 | H4 | |
|---|---|---|---|---|
| S1 | 2.0564 | 1.3421 | 2.6051 | |
| S2 | 2.0564 | 2.6051 | 1.3421 | |
| H3 | 1.3421 | 2.6051 | 3.0710 | |
| H4 | 2.6051 | 1.3421 | 3.0710 |
| squib | reference | DOI |
|---|---|---|
| 1991Beh/Mit:99 | Behrend, J.; Mittler, P.; Winnewisser, G.; Yamada, K.M.T. "Spectra of Deuterated Disulfane and Spectroscopic Determination of Its Molecular Structure." Journal of Molecular Spectrosopy. 150, 99-119 (1991) | 10.1016/0022-2852(91)90196-H |
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