Information card for entry 1574753

Structure parameters

• Chemical name: [Ce24O28(OH)8(OOCC6H4(4-OMe))30(py)4](py)11
• Formula: C315 H287 Ce24 N15 O126
• Calculated formula: C315 H287 Ce24 N15 O126
• 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: 36.1757 ± 0.0006 Å
• b: 25.1668 ± 0.0004 Å
• c: 42.5226 ± 0.0008 Å
• α: 90°
• β: 110.7 ± 0.002°
• γ: 90°
• Cell volume: 36214.5 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections: 0.4361
• Weighted residual factors for significantly intense reflections: 0.3745
• Weighted residual factors for all reflections included in the refinement: 0.4361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7423
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No