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Information card for entry 7721117
Preview
| Coordinates | 7721117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H18 Br2 Fe O4 |
|---|---|
| Calculated formula | C32 H18 Br2 Fe O4 |
| 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 | 16.6165 ± 0.0003 Å |
| b | 9.8865 ± 0.0002 Å |
| c | 33.4534 ± 0.0007 Å |
| α | 90° |
| β | 98.428 ± 0.002° |
| γ | 90° |
| Cell volume | 5436.34 ± 0.19 Å3 |
| Cell temperature | 170 ± 0.1 K |
| Ambient diffraction temperature | 170 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| 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.