Information card for entry 4306461

Structure parameters

• Formula: C77 H99 B2 Dy O7
• Calculated formula: C77 H99 B2 Dy O7
• SMILES: [Dy]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)C.O1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.777 ± 0.014 Å
• b: 21.876 ± 0.019 Å
• c: 37.58 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13792 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No