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Information card for entry 4344113
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| Coordinates | 4344113.cif |
|---|---|
| External links | PubChem |
| Chemical name | (C F3) O S O2 Cl |
|---|---|
| Formula | C Cl F3 O3 S |
| Calculated formula | C Cl F3 O3 S |
| Title of publication | Trifluoromethyl chlorosulfonate, C F3 O S O2 Cl: gas phase and crystal structure, conformation and vibrational analysis studied by experimental and theoretical methods |
| Authors of publication | Erben, M.F.; Della Vedova, C.O.; Boese, R.; Oberhammer, H.; Leibold, C.; Willner, H. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 7297 - 7303 |
| a | 5.079 Å |
| b | 22.922 Å |
| c | 5.192 Å |
| α | 90° |
| β | 112.651° |
| γ | 90° |
| Cell volume | 557.834 Å3 |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344113.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4344113.cif |
| 156805 | 2015-09-17 | cif/ Adding structures of 4344113 via cif-deposit CGI script. |
4344113.cif |
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Users of the data should acknowledge the original authors of the
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