Information card for entry 7114263

Structure parameters

• Chemical name: [(trimethylsilyl)(eta2, eta2-triphenyl)boramethylene (dimethylsilyl)amido)bis(tetrahydrofuran)ytterbium(II)] (2)
• Formula: C32 H48 B N O2 Si2 Yb
• Calculated formula: C32 H48 B N O2 Si2 Yb
• SMILES: [Yb]1234([O]5CCCC5)(N([Si](C[B](c5ccccc5)([C]51=[CH]2C=CC=C5)[C]13=[CH]4C=CC=C1)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: Linkage isomerism and C???H activation in an ytterbium(ii) tetraphenylborate
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2522
• a: 9.9426 ± 0.0001 Å
• b: 18.7251 ± 0.0002 Å
• c: 18.3353 ± 0.0002 Å
• α: 90°
• β: 101.633 ± 0.001°
• γ: 90°
• Cell volume: 3343.48 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No