Information card for entry 4074385

Structure parameters

• Formula: C20.5 H47 B Na O2 P Si2
• Calculated formula: C17 H43 B Na O2 P Si2
• SMILES: [P](C([Na]([O]1CCCC1)[O]1CCCC1)([Si](C)(C)C)[Si](C)(C)C)(C)(C)[BH3]
• Title of publication: Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion
• Authors of publication: Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5326
• a: 9.645 ± 0.002 Å
• b: 13.1887 ± 0.0013 Å
• c: 22.357 ± 0.003 Å
• α: 90°
• β: 94.057 ± 0.019°
• γ: 90°
• Cell volume: 2836.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No