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Information card for entry 2108651
Preview
| Coordinates | 2108651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dimethyl sulfoxide trihydrate |
|---|---|
| Chemical name | hexadeutero-dimethyl sulfoxide trideuterate |
| Formula | C2 D12 O4 S |
| Calculated formula | C2 D12 O4 S |
| Title of publication | On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system |
| Authors of publication | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 10.266194 ± 0.00003 Å |
| b | 7.01113 ± 0.000021 Å |
| c | 10.068968 ± 0.000029 Å |
| α | 90° |
| β | 101.503 ± 0.0002° |
| γ | 90° |
| Cell volume | 710.183 ± 0.004 Å3 |
| Cell temperature | 195 K |
| Ambient diffraction temperature | 195 K |
| Ambient diffracton pressure | 10 kPa |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| RFsqd | 0.0824 |
| Goodness-of-fit parameter for all reflections | 1.39 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | whitebeam |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255312 (current) | 2020-08-14 | cif/ Adding structures of 2108650, 2108651 via cif-deposit CGI script. |
2108651.cif |
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