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Information card for entry 2004874
Preview
| Coordinates | 2004874.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H11 B F4 Fe O3 |
|---|---|
| Calculated formula | C10 H11 B F4 Fe O3 |
| Title of publication | Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate |
| Authors of publication | Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1110 - 1112 |
| a | 11.095 ± 0.003 Å |
| b | 10.098 ± 0.003 Å |
| c | 11.607 ± 0.004 Å |
| α | 90° |
| β | 91.34 ± 0.03° |
| γ | 90° |
| Cell volume | 1300.1 ± 0.7 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Goodness-of-fit parameter for significantly intense reflections | 1.6 |
| 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.