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Information card for entry 1559608
Preview
| Coordinates | 1559608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H162 Ce2 O10 Si6 |
|---|---|
| Calculated formula | C76 H162 Ce2 O10 Si6 |
| SMILES | c1(cc(C(C)(C)C)c(cc1C(C)(C)C)O[Ce](O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)[O]1CCCC1)O[Ce](O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)[O]1CCCC1 |
| Title of publication | Cerium-quinone redox couples put under scrutiny. |
| Authors of publication | Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 1343 - 1351 |
| a | 11.655 ± 0.002 Å |
| b | 12.402 ± 0.002 Å |
| c | 17.499 ± 0.003 Å |
| α | 92.596 ± 0.003° |
| β | 93.946 ± 0.003° |
| γ | 114.855 ± 0.003° |
| Cell volume | 2282 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267066 (current) | 2021-07-05 | cif/ Updating files of 1559596, 1559597, 1559598, 1559599, 1559600, 1559601, 1559602, 1559603, 1559604, 1559605, 1559606, 1559607, 1559608, 1559609, 1559610, 1559611 Original log message: Adding full bibliography for 1559596--1559611.cif. |
1559608.cif |
| 262535 | 2021-03-05 | cif/ Updating files of 1559596, 1559597, 1559598, 1559599, 1559600, 1559601, 1559602, 1559603, 1559604, 1559605, 1559606, 1559607, 1559608, 1559609, 1559610, 1559611 Original log message: Adding full bibliography for 1559596--1559611.cif. |
1559608.cif |
| 259332 | 2020-11-30 | cif/ Adding structures of 1559596, 1559597, 1559598, 1559599, 1559600, 1559601, 1559602, 1559603, 1559604, 1559605, 1559606, 1559607, 1559608, 1559609, 1559610, 1559611 via cif-deposit CGI script. |
1559608.cif |
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Users of the data should acknowledge the original authors of the
structural data.