Information card for entry 4306462

Structure parameters

• Formula: C36.5 H41.5 B F4 O3 Sm0.5
• Calculated formula: C36.5 H41.5 B F4 O3 Sm0.5
• Title of publication: Cationic Methyl Complexes of the Rare-Earth Metals: An Experimental and Computational Study on Synthesis, Structure, and Reactivity
• Authors of publication: Mathias U. Kramer; Dominique Robert; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Ahmed Yahia; Laurent Maron; Odile Eisenstein; Jun Okuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9265 - 9278
• a: 14.429 ± 0.002 Å
• b: 12.6552 ± 0.0018 Å
• c: 18.243 ± 0.003 Å
• α: 90°
• β: 103.533 ± 0.003°
• γ: 90°
• Cell volume: 3238.7 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No