Information card for entry 7043769

Structure parameters

• Formula: C43.5 H60 Ce2 N16
• Calculated formula: C43.5 H60 Ce2 N16
• 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: 11.6469 ± 0.0015 Å
• b: 11.8705 ± 0.0015 Å
• c: 19.205 ± 0.002 Å
• α: 91.7846 ± 0.0017°
• β: 96.5974 ± 0.0017°
• γ: 114.099 ± 0.0016°
• Cell volume: 2398.8 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No