Information card for entry 4066416

Structure parameters

• Formula: C14 H30 B P Si2
• Calculated formula: C14 H30 B P Si2
• SMILES: [P]([BH3])(c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis, Structure, and Solution Behavior of a Phosphine−Borane-Stabilized 1,3-Dicarbanion†
• Authors of publication: Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4774
• a: 13.792 ± 0.003 Å
• b: 10.686 ± 0.003 Å
• c: 13.1277 ± 0.0015 Å
• α: 90°
• β: 92.447 ± 0.01°
• γ: 90°
• Cell volume: 1933 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No