Information card for entry 1574750

Structure parameters

• Chemical name: [Ce(OOCCH2tBu)3(py)]
• Formula: C92 H152 Ce4 N4 O24
• Calculated formula: C92 H152 Ce4 N4 O24
• Title of publication: Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects
• Authors of publication: Brown, Stephen E.; Pike, Sebastian D.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11659 - 11668
• a: 14.1138 ± 0.0001 Å
• b: 14.1138 ± 0.0001 Å
• c: 93.9953 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16215.3 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections: 0.2642
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No