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Information card for entry 4000434
Preview
| Coordinates | 4000434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (8a) Zn(DIP)(Et)(MeIm)2 |
|---|---|
| Formula | C22 H34 N4 O Zn |
| Calculated formula | C22 H34 N4 O Zn |
| SMILES | CC[Zn]([n]1ccn(c1)C)([n]1ccn(c1)C)Oc1c(cccc1C(C)C)C(C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 8.8842 ± 0.0014 Å |
| b | 16.646 ± 0.003 Å |
| c | 15.35 ± 0.002 Å |
| α | 90° |
| β | 96.162 ± 0.003° |
| γ | 90° |
| Cell volume | 2256.9 ± 0.6 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 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 | 0.062 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.