Information card for entry 1559606

Structure parameters

• Formula: C91 H103 Ce3 N18 O5
• Calculated formula: C91 H103 Ce3 N18 O5
• 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: 12.7863 ± 0.0016 Å
• b: 18.594 ± 0.002 Å
• c: 18.631 ± 0.002 Å
• α: 102.525 ± 0.0019°
• β: 90.9634 ± 0.0018°
• γ: 93.3308 ± 0.0018°
• Cell volume: 4314.8 ± 0.9 ų
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No