Information card for entry 4080251

Structure parameters

• Formula: C50 H24 B2 F30 O2 Yb
• Calculated formula: C50 H24 B2 F30 O2 Yb
• SMILES: C1C[O]([Yb]2345([F]c6c(c(c(c(F)c6[B](c6c(F)c(F)c(F)c(F)c6F)(c6c(c(c(c(c6[F]2)F)F)F)F)[H]4)F)F)F)([F]c2c(c(c(c(F)c2[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(c(c(c(c2[F]3)F)F)F)F)[H]5)F)F)F)[O]2CCCC2)CC1.c1ccccc1
• 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: 15.1779 ± 0.0006 Å
• b: 15.8732 ± 0.0006 Å
• c: 21.3796 ± 0.0009 Å
• α: 90°
• β: 104.048 ± 0.001°
• γ: 90°
• Cell volume: 4996.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No