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Information card for entry 1557723
Preview
| Coordinates | 1557723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H30 Br2 Co N4 O7 S2 |
|---|---|
| Calculated formula | C27 H30 Br2 Co N4 O7 S2 |
| 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 | 8.1545 ± 0.0003 Å |
| b | 11.7917 ± 0.0005 Å |
| c | 16.3115 ± 0.0004 Å |
| α | 107.981 ± 0.003° |
| β | 96.136 ± 0.003° |
| γ | 103.72 ± 0.003° |
| Cell volume | 1421.47 ± 0.1 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
1557723.cif |
| 251537 | 2020-05-05 | cif/ Updating files of 1557722, 1557723, 1557724 Original log message: Adding full bibliography for 1557722--1557724.cif. |
1557723.cif |
| 249988 | 2020-04-03 | cif/ Adding structures of 1557722, 1557723, 1557724 via cif-deposit CGI script. |
1557723.cif |
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Users of the data should acknowledge the original authors of the
structural data.