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Information card for entry 2006514
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| Coordinates | 2006514.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Bis(trichlorosilyl)ethane |
|---|---|
| Chemical name | 1,1,1,4,4,4-Hexachloro-1,4-disilabutane |
| Formula | C2 H4 Cl6 Si2 |
| Calculated formula | C2 H4 Cl6 Si2 |
| SMILES | C([Si](Cl)(Cl)Cl)C[Si](Cl)(Cl)Cl |
| Title of publication | 1,1,1,4,4,4-Hexachloro-1,4-disilabutane |
| Authors of publication | Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1335 - 1337 |
| a | 6.231 ± 0.001 Å |
| b | 9.447 ± 0.001 Å |
| c | 9.394 ± 0.001 Å |
| α | 90° |
| β | 92.32 ± 0.01° |
| γ | 90° |
| Cell volume | 552.52 ± 0.12 Å3 |
| Cell temperature | 205 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Goodness-of-fit parameter for all reflections | 1.12 |
| Goodness-of-fit parameter for significantly intense reflections | 1.145 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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