Information card for entry 1559597

Structure parameters

• Formula: C42 H108 Ce2 Cl4 N6 O2 Si12
• Calculated formula: C42 H108 Ce2 Cl4 N6 O2 Si12
• SMILES: c1(c(Cl)c(c(c(c1Cl)Cl)O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)Cl)O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(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: 10.868 ± 0.0016 Å
• b: 16.755 ± 0.002 Å
• c: 20.149 ± 0.003 Å
• α: 90°
• β: 90.235 ± 0.004°
• γ: 90°
• Cell volume: 3669 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No