Information card for entry 4080245

Structure parameters

• Formula: C13 H35 K N2 Si3
• Calculated formula: C13 H35 K N2 Si3
• SMILES: [K]1[N](C=C[N]1(C)C)(C)C.[C-]([SiH](C)C)([SiH](C)C)[SiH](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: 8.935 ± 0.002 Å
• b: 10.743 ± 0.002 Å
• c: 12.522 ± 0.003 Å
• α: 98.081 ± 0.004°
• β: 105.754 ± 0.004°
• γ: 96.538 ± 0.004°
• Cell volume: 1130.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No