Information card for entry 4080250

Structure parameters

• Formula: C47 H48 B2 O Yb
• Calculated formula: C47 H48 B2 O Yb
• SMILES: [B]12([H][Yb]34([H][B]([C]35=CC=CC=C5)(c3ccccc3)[C]34=CC=CC=C3)([C]31=CC=CC=C3)([C]12=CC=CC=C1)[O]1CCCC1)c1ccccc1.c1ccccc1C
• Title of publication: Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds
• Authors of publication: Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1300
• a: 10.2093 ± 0.0008 Å
• b: 15.3491 ± 0.0012 Å
• c: 24.6786 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3867.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No