Information card for entry 4515826
| 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 |
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