Information card for entry 4109131

Structure parameters

• Formula: C38 H63 Ce O0.5
• Calculated formula: C38 H63 Ce O0.5
• Title of publication: Reactions of Monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: An Experimental and Computational Study
• Authors of publication: Evan L. Werkema; Laurent Maron; Odile Eisenstein; Richard A. Andersen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2529 - 2541
• a: 18.566 ± 0.003 Å
• b: 10.4527 ± 0.0015 Å
• c: 19.192 ± 0.003 Å
• α: 90°
• β: 108.009 ± 0.002°
• γ: 90°
• Cell volume: 3542 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No