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Information card for entry 2000031
Preview
| Coordinates | 2000031.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C6 F10 |
|---|---|
| Calculated formula | C6 F10 |
| Title of publication | Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data |
| Authors of publication | Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 395 - 397 |
| a | 11.9302 ± 0.0018 Å |
| b | 7.2371 ± 0.0011 Å |
| c | 9.6574 ± 0.0014 Å |
| α | 90° |
| β | 113.408 ± 0.003° |
| γ | 90° |
| Cell volume | 765.2 ± 0.2 Å3 |
| Cell temperature | 4.2 K |
| Ambient diffraction temperature | 4.2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.01249 |
| Residual factor R(I) for significantly intense reflections | 0.01577 |
| Goodness-of-fit parameter for all reflections | 1.09056 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.909 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.