Information card for entry 4111197

Structure parameters

• Formula: C51 H80 Nd2
• Calculated formula: C51 H80 Nd2
• Title of publication: Planar Trimethylenemethane Dianion Chemistry of Lanthanide Metallocenes: Synthesis, Structure, Density Functional Theory Analysis, and Reactivity of [(C5Me5)2Ln]2[μ-η3:η3-C(CH2)3] Complexes
• Authors of publication: William J. Evans; Timothy M. Champagne; Joseph W. Ziller; Nikolas Kaltsoyannis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16178 - 16189
• a: 11.3111 ± 0.0014 Å
• b: 21.971 ± 0.003 Å
• c: 19.583 ± 0.003 Å
• α: 90°
• β: 99.897 ± 0.003°
• γ: 90°
• Cell volume: 4794.3 ± 1.1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No