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Information card for entry 7721121
Preview
| Coordinates | 7721121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H30 Fe3 O4 P2 Se2 |
|---|---|
| Calculated formula | C40 H30 Fe3 O4 P2 Se2 |
| Title of publication | [FeFe]-hydrogenase biomimics incorporating redox-active ligands: Tuning the oxidation chemistry of ferrocene-dichalcogenolate-bridged centres via phosphine substitution |
| Authors of publication | Orton, Georgia; Cockcroft, Jeremy Karl; Ringenberg, Mark R.; Hartl, Frantisek; Hogarth, Graeme |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 11.92991 ± 0.00014 Å |
| b | 17.9632 ± 0.0002 Å |
| c | 17.2334 ± 0.0002 Å |
| α | 90° |
| β | 97.0411 ± 0.0011° |
| γ | 90° |
| Cell volume | 3665.25 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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