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Information card for entry 4518673
Preview
| Coordinates | 4518673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N4 O14 P2 Ru |
|---|---|
| Calculated formula | C22 H24 N4 O14 P2 Ru |
| Title of publication | Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions |
| Authors of publication | Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 5240 - 5247 |
| a | 9.8814 ± 0.0011 Å |
| b | 18.093 ± 0.002 Å |
| c | 15.1203 ± 0.0017 Å |
| α | 90° |
| β | 105.261 ± 0.002° |
| γ | 90° |
| Cell volume | 2607.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264791 (current) | 2021-05-03 | cif/ Adding structures of 4518673, 4518674 via cif-deposit CGI script. |
4518673.cif |
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