Information card for entry 1569057

Structure parameters

• Formula: C60 H99 Ce K2 O12 Si3
• Calculated formula: C60 H99 Ce K2 O12 Si3
• Title of publication: Isolation and redox reactivity of cerium complexes in four redox states.
• Authors of publication: Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 6011 - 6021
• a: 25.2554 ± 0.0011 Å
• b: 11.0935 ± 0.0006 Å
• c: 25.7721 ± 0.0014 Å
• α: 90°
• β: 105.25 ± 0.005°
• γ: 90°
• Cell volume: 6966.3 ± 0.6 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1349
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No