Information card for entry 4073186

Structure parameters

• Formula: C7 H19 B Na O P
• Calculated formula: C7 H19 B Na O P
• SMILES: [Na]1([O]2CCCC2)[CH2]([P]([BH3])(C)C)[Na]([O]2CCCC2)[CH2]1[P]([BH3])(C)C
• Title of publication: Metalation of Trimethylphosphine−Borane. Unexpected Reactivity of a Simple Phosphine−Borane-Stabilized Carbanion toward Siloxanes
• Authors of publication: Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2861
• a: 12.534 ± 0.002 Å
• b: 14.6996 ± 0.0012 Å
• c: 13.079 ± 0.003 Å
• α: 90°
• β: 102.279 ± 0.008°
• γ: 90°
• Cell volume: 2354.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No