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Information card for entry 4515827
Preview
| Coordinates | 4515827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H48 Ce N15 O26 Ru2 |
|---|---|
| Calculated formula | C55 H48 Ce N15 O26 Ru2 |
| 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 | 17.9909 ± 0.0003 Å |
| b | 22.189 ± 0.0004 Å |
| c | 15.3463 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6126.24 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.7107 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. |
4515827.cif |
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