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Information card for entry 1557722
Preview
| Coordinates | 1557722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H46 N4 O6 P2 |
|---|---|
| Calculated formula | C36 H46 N4 O6 P2 |
| SMILES | c12cccc(c3cccc(C(C)(c4cccc(c5cccc(C1(C)CCP(=O)(OCC)OCC)n5)n4)CCP(=O)(OCC)OCC)n3)n2 |
| 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 | 9.437 ± 0.0002 Å |
| b | 10.4908 ± 0.0003 Å |
| c | 18.5143 ± 0.0004 Å |
| α | 96.9776 ± 0.0019° |
| β | 99.2858 ± 0.0019° |
| γ | 104.161 ± 0.002° |
| Cell volume | 1728.97 ± 0.08 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1557722.cif |
| 251537 | 2020-05-05 | cif/ Updating files of 1557722, 1557723, 1557724 Original log message: Adding full bibliography for 1557722--1557724.cif. |
1557722.cif |
| 249988 | 2020-04-03 | cif/ Adding structures of 1557722, 1557723, 1557724 via cif-deposit CGI script. |
1557722.cif |
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Users of the data should acknowledge the original authors of the
structural data.