Information card for entry 1574751

Structure parameters

• Chemical name: [Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12
• Formula: C260 H170 Ce24 F30 N10 O96
• Calculated formula: C260 H170 Ce24 F30 N10 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: 20.7633 ± 0.000014 Å
• b: 21.881899 ± 0.000014 Å
• c: 38.498501 ± 0.000017 Å
• α: 84.238 ± 0.0018°
• β: 82.416 ± 0.0018°
• γ: 84.442 ± 0.0018°
• Cell volume: 17188.7 ± 0.1 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: 0.1082
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for all reflections: 0.3085
• Weighted residual factors for significantly intense reflections: 0.2833
• Weighted residual factors for all reflections included in the refinement: 0.3085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0072
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No