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Information card for entry 7721118
Preview
| Coordinates | 7721118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 Fe O8 |
|---|---|
| Calculated formula | C36 H28 Fe O8 |
| Title of publication | Tuning the Tetraarylcyclopentadienones from iron tricarbonyl complexes: effects in Transfer Hydrogenation and solubility |
| Authors of publication | Zingales, Esteban; Huertos, Miguel Angel; Sanchez-Cano, Carlos |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 14.3855 ± 0.0002 Å |
| b | 20.509 ± 0.0004 Å |
| c | 21.9273 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6469.26 ± 0.19 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.