Information card for entry 1574752

Structure parameters

• Chemical name: [Ce24O28(OH)8(OOCPh)30(Py)4](Py)14
• Formula: C300 H230 Ce24 N18 O96
• Calculated formula: C280 H224 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: 21.8344 ± 0.000017 Å
• b: 26.493099 ± 0.000017 Å
• c: 25.106501 ± 0.000014 Å
• α: 90°
• β: 90.701 ± 0.0018°
• γ: 90°
• Cell volume: 14522 ± 0.018 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.1689
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No