Information card for entry 7101842

Structure parameters

• Formula: C28 H36 Ce
• Calculated formula: C27.9972 H35.9964 Ce
• Title of publication: Bis(permethylpentalene)cerium‒another ambiguity in lanthanide oxidation state.
• Authors of publication: Ashley, Andrew; Balazs, Gabor; Cowley, Andrew; Green, Jennifer; Booth, Corwin H; O'Hare, Dermot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1515 - 1517
• a: 9.4931 ± 0.0003 Å
• b: 9.4931 ± 0.0003 Å
• c: 22.1762 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1730.75 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled to 100K at a rate of 120 Khr^-1^ for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 3
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No