Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557724
Preview
| Coordinates | 1557724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Br2 Co N4 O4 |
|---|---|
| Calculated formula | C26 H28 Br2 Co N4 O4 |
| SMILES | c12cccc3c4cccc5[n]4[Co]4([n]13)(Br)([n]1c(c3cccc(C5(O)C)[n]43)cccc1C2(O)C)Br.OC.OC |
| Title of publication | Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2 |
| Authors of publication | Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 2549 - 2560 |
| a | 8.0833 ± 0.0001 Å |
| b | 11.8214 ± 0.0001 Å |
| c | 13.6272 ± 0.0001 Å |
| α | 90° |
| β | 95.751 ± 0.001° |
| γ | 90° |
| Cell volume | 1295.61 ± 0.02 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257210 (current) | 2020-10-06 | cif/ Updating files of 1557722, 1557723, 1557724 Original log message: Adding full bibliography for 1557722--1557724.cif. |
1557724.cif |
| 251537 | 2020-05-05 | cif/ Updating files of 1557722, 1557723, 1557724 Original log message: Adding full bibliography for 1557722--1557724.cif. |
1557724.cif |
| 249988 | 2020-04-03 | cif/ Adding structures of 1557722, 1557723, 1557724 via cif-deposit CGI script. |
1557724.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.