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Information card for entry 4000232
Preview
| Coordinates | 4000232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H7 F Fe N O5 S |
|---|---|
| Calculated formula | C H7 F Fe N O5 S |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| a | 5.0904 ± 0.0006 Å |
| b | 7.3687 ± 0.0009 Å |
| c | 9.1698 ± 0.0011 Å |
| α | 72.388 ± 0.002° |
| β | 85.257 ± 0.002° |
| γ | 71.025 ± 0.002° |
| Cell volume | 309.97 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections | 0.1243 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Goodness-of-fit parameter for all reflections | 1.072 |
| Goodness-of-fit parameter for significantly intense reflections | 1.11 |
| 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.