Information card for entry 4080246

Structure parameters

• Formula: C20 H58 N2 Si6 Yb
• Calculated formula: C20 H58 N2 Si6 Yb
• SMILES: [Yb]1(C([SiH](C)C)([SiH](C)C)[SiH](C)C)(C([SiH](C)C)([SiH](C)C)[SiH](C)C)[N](C)(C)CC[N]1(C)C
• 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: 9.171 ± 0.006 Å
• b: 19.213 ± 0.008 Å
• c: 20.296 ± 0.009 Å
• α: 90°
• β: 98.525 ± 0.013°
• γ: 90°
• Cell volume: 3537 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1248
• 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: No
• Has Fobs: No