Information card for entry 4103655

Structure parameters

• Formula: C31 H40 N2 Yb
• Calculated formula: C31 H40 N2 Yb
• Title of publication: Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines
• Authors of publication: Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17537 - 17549
• a: 15.924 ± 0.002 Å
• b: 16.524 ± 0.003 Å
• c: 20.318 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5346.2 ± 1.4 ų
• Cell temperature: 125.2 K
• Ambient diffraction temperature: 125.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.461
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No