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Information card for entry 7721122
Preview
| Coordinates | 7721122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H38 Cl2 Fe4 O4 P2 Se2 |
|---|---|
| Calculated formula | C49 H38 Cl2 Fe4 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 | 44.7746 ± 0.0016 Å |
| b | 9.8242 ± 0.0003 Å |
| c | 21.6955 ± 0.0008 Å |
| α | 90° |
| β | 90.565 ± 0.003° |
| γ | 90° |
| Cell volume | 9542.8 ± 0.6 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1605 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306560 (current) | 2026-06-12 | cif/ Adding structures of 7721121, 7721122 via cif-deposit CGI script. |
7721122.cif |
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