Information card for entry 7043775

Structure parameters

• Formula: C44 H76 Ce N8
• Calculated formula: C44 H76 Ce N8
• Title of publication: Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.
• Authors of publication: Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 20.0706 ± 0.0017 Å
• b: 12.748 ± 0.0011 Å
• c: 18.5268 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4740.3 ± 0.7 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No