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Information card for entry 1557073
Preview
| Coordinates | 1557073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 Cl5 Li O4 Zr |
|---|---|
| Calculated formula | C16 Cl5 Li O4 Zr |
| SMILES | [Zr]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)(Cl)(Cl)[O]1CCCC1 |
| Title of publication | Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf). |
| Authors of publication | Polamo, Mika; Leskela, Markku |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 44 - 48 |
| a | 11.32 ± 0.006 Å |
| b | 17.686 ± 0.007 Å |
| c | 13.622 ± 0.009 Å |
| α | 90° |
| β | 90.37 ± 0.05° |
| γ | 90° |
| Cell volume | 2727 ± 3 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247018 (current) | 2020-01-20 | cif/ Adding structures of 1557073 via cif-deposit CGI script. |
1557073.cif |
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Users of the data should acknowledge the original authors of the
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