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Information card for entry 1559608
Preview
Coordinates | 1559608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H162 Ce2 O10 Si6 |
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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 |
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