Information card for entry 1574755

Structure parameters

• Chemical name: [Ce24O28(OH)8(OOCPhtBu)30(Py)4](py)10
• Formula: C400 H464 Ce24 N14 O96
• Calculated formula: C400 H464 Ce24 N14 O96
• 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: 43.6537 ± 0.0003 Å
• b: 27.5054 ± 0.0002 Å
• c: 40.9209 ± 0.0003 Å
• α: 90°
• β: 103.985 ± 0.0008°
• γ: 90°
• Cell volume: 47677.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for all reflections: 0.3748
• Weighted residual factors for significantly intense reflections: 0.3748
• Weighted residual factors for all reflections included in the refinement: 0.3748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No