Information card for entry 1574748

Structure parameters

• Chemical name: [Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12
• Formula: C340 H254 Ce24 F30 N26 O96
• Calculated formula: C340 H254 Ce24 F30 N26 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: 20.8735 ± 0.0002 Å
• b: 21.7898 ± 0.0002 Å
• c: 23.7135 ± 0.0003 Å
• α: 63.3967 ± 0.0011°
• β: 73.8571 ± 0.0011°
• γ: 62.094 ± 0.0012°
• Cell volume: 8490.27 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1209
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No