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Information card for entry 4515826
Preview
| Coordinates | 4515826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H28 N5 O6.5 Ru |
|---|---|
| Calculated formula | C28.5 H28 N5 O6.5 Ru |
| Title of publication | The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation |
| Authors of publication | Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2039 |
| a | 11.7638 ± 0.0009 Å |
| b | 16.7628 ± 0.0011 Å |
| c | 15.8332 ± 0.0011 Å |
| α | 90° |
| β | 107.656 ± 0.002° |
| γ | 90° |
| Cell volume | 2975.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225927 (current) | 2019-11-10 | cif/ Adding structures of 4515825, 4515826, 4515827 via cif-deposit CGI script. |
4515826.cif |
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Users of the data should acknowledge the original authors of the
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