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Information card for entry 2006572
Preview
| Coordinates | 2006572.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C8 H16 I Li O4 |
|---|---|
| Calculated formula | C8 H16 I Li O4 |
| SMILES | [Li](I)([O]1CCOCC1)[O]1CC[O](CC1)[Li](I)([O]1CCOCC1)[O]1CCOCC1 |
| Title of publication | <i>catena</i>-Poly[[(1,4-dioxane-<i>O</i>^1^)iodolithium]-μ-(1,4-dioxane-<i>O</i>^1^:<i>O</i>^4^)] |
| Authors of publication | Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1387 - 1388 |
| a | 7.726 ± 0.002 Å |
| b | 10.22 ± 0.002 Å |
| c | 15.169 ± 0.003 Å |
| α | 90° |
| β | 99.67 ± 0.02° |
| γ | 90° |
| Cell volume | 1180.7 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for all reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Goodness-of-fit parameter for all reflections | 1.005 |
| Goodness-of-fit parameter for significantly intense reflections | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.