Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514280
Preview
| Coordinates | 4514280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N4 O7 Ru S |
|---|---|
| Calculated formula | C26 H28 N4 O7 Ru S |
| Title of publication | Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts |
| Authors of publication | Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 6525 |
| a | 11.051 ± 0.0014 Å |
| b | 15.235 ± 0.002 Å |
| c | 16.459 ± 0.002 Å |
| α | 90° |
| β | 105.354 ± 0.004° |
| γ | 90° |
| Cell volume | 2672.2 ± 0.6 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202577 (current) | 2017-11-04 | cif/ Adding structures of 4514280 via cif-deposit CGI script. |
4514280.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.