Information card for entry 7043772

Structure parameters

• Formula: C119 H159 La6 N30 O13
• Calculated formula: C114 H152 La6 N28 O13
• 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: 61.727 ± 0.006 Å
• b: 61.727 ± 0.006 Å
• c: 12.5925 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41552 ± 8 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No