Information card for entry 1559602

Structure parameters

• Formula: C72 H140 Ce2 O12 Si4
• Calculated formula: C72 H140 Ce2 O12 Si4
• SMILES: c12O[Ce](O[Si](C(C)C)(C(C)C)C(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)([O]3CCCC3)([O]3CCCC3)Oc3c(c(c(c(c3C)C)O[Ce](Oc(c(c1C)C)c(c2C)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]1CCCC1)C)C
• 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: 11.29 ± 0.04 Å
• b: 22.03 ± 0.07 Å
• c: 17.25 ± 0.07 Å
• α: 90°
• β: 96.25 ± 0.011°
• γ: 90°
• Cell volume: 4265 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No