Information card for entry 4111377

Structure parameters

• Formula: C34 H58 Ce F
• Calculated formula: C34 H58 Ce F
• Title of publication: Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies
• Authors of publication: Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 279 - 292
• a: 9.2297 ± 0.0005 Å
• b: 34.078 ± 0.002 Å
• c: 10.9325 ± 0.0006 Å
• α: 90°
• β: 109.864 ± 0.001°
• γ: 90°
• Cell volume: 3234 ± 0.3 ų
• Cell temperature: 171.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No