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Information card for entry 4000065
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| Coordinates | 4000065.cif |
|---|
| Formula | C28 H22 N2 O5 Zn |
|---|---|
| Calculated formula | C28 H22 N2 O4.38 Zn |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| a | 7.6251 ± 0.0005 Å |
| b | 25.4296 ± 0.0018 Å |
| c | 5.8625 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1136.76 ± 0.13 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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.