Information card for entry 4080248

Structure parameters

• Formula: C30 H33 B F15 K N4
• Calculated formula: C30 H33 B F15 K N4
• SMILES: [K]1234([H][B](c5c(c(c(c(c5F)F)F)F)[F]3)(c3c(c(c(c(c3F)F)F)F)[F]4)c3c(c(c(c(c3F)F)F)F)F)([N](C)(C)CC[N]1(C)C)[N](C)(C)CC[N]2(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: 21.7767 ± 0.0019 Å
• b: 14.309 ± 0.0012 Å
• c: 22.33 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6958.1 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No