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Information card for entry 1573721
Preview
| Coordinates | 1573721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H52 Co F24 N6 O P4 Re2 |
|---|---|
| Calculated formula | C54 H42 Co F24 N6 P4 Re2 |
| Title of publication | The Role of [Re(η6-arene)2]+ Substituents on Electro- and Photocatalytic Water Reduction with [Co(terpy)2]3+ Catalysts |
| Authors of publication | Csucker, Joshua; Grundmann, Nora; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2025 |
| a | 22.3235 ± 0.0002 Å |
| b | 15.8553 ± 0.0001 Å |
| c | 17.5716 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6219.39 ± 0.1 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297390 (current) | 2025-01-22 | cif/ Adding structures of 1573721, 1573722, 1573723, 1573724 via cif-deposit CGI script. |
1573721.cif |
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Users of the data should acknowledge the original authors of the
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