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Information card for entry 2006287
Preview
| Coordinates | 2006287.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 D8 S8 |
|---|---|
| Calculated formula | C10 D8 S8 |
| SMILES | S1/C(=C2\SC3=C(S2)SC(C(S3)([2H])[2H])([2H])[2H])SC2=C1SC(C(S2)([2H])[2H])([2H])[2H] |
| Title of publication | Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction |
| Authors of publication | Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 961 - 963 |
| a | 6.661 ± 0.001 Å |
| b | 13.652 ± 0.002 Å |
| c | 15.613 ± 0.002 Å |
| α | 90° |
| β | 94.281 ± 0.002° |
| γ | 90° |
| Cell volume | 1415.8 ± 0.3 Å3 |
| Cell temperature | 15 K |
| Ambient diffraction temperature | 15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Goodness-of-fit parameter for significantly intense reflections | 1.2 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | Pulsedneutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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