Information card for entry 1559611

Structure parameters

• Formula: C90 H186 Ce2 Cl4 O29 Si6
• Calculated formula: C90 H186 Ce2 Cl4 O29 Si6
• 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: 22.1584 ± 0.0019 Å
• b: 41.418 ± 0.004 Å
• c: 13.425 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12320.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No