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Information card for entry 4000228
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| Coordinates | 4000228.cif |
|---|
| Formula | C2 H10 F3 Fe N2 O4 S |
|---|---|
| Calculated formula | C2 H10 F3 Fe N2 O4 S |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| a | 6.4111 ± 0.0006 Å |
| b | 9.5223 ± 0.0008 Å |
| c | 13.1307 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 801.61 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for all reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Goodness-of-fit parameter for all reflections | 1.054 |
| Goodness-of-fit parameter for significantly intense reflections | 1.078 |
| 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.