Information card for entry 1559607

Structure parameters

• Formula: C76 H158 Ce2 Cl4 O12 Si6
• Calculated formula: C76 H158 Ce2 Cl4 O12 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: 11.2124 ± 0.001 Å
• b: 12.5614 ± 0.0011 Å
• c: 34.289 ± 0.003 Å
• α: 90°
• β: 97.212 ± 0.002°
• γ: 90°
• Cell volume: 4791.2 ± 0.7 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No