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Information card for entry 4000435
Preview
| Coordinates | 4000435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (9) Zn(DBP)(Et)(py)2 |
|---|---|
| Formula | C26 H36 N2 O Zn |
| Calculated formula | C26 H36 N2 O Zn |
| SMILES | CC[Zn]([n]1ccccc1)([n]1ccccc1)Oc1c(cccc1C(C)(C)C)C(C)(C)C |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 11.177 ± 0.004 Å |
| b | 21.96 ± 0.007 Å |
| c | 20.531 ± 0.007 Å |
| α | 90° |
| β | 99.108 ± 0.005° |
| γ | 90° |
| Cell volume | 4976 ± 3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1365 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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.