Information card for entry 4077251

Structure parameters

• Formula: C56 H92 B Na O8 Si4
• Calculated formula: C56 H92 B Na O8 Si4
• SMILES: [Si](c1ccc(cc1)[B-](c1ccc([Si](C)(C)C)cc1)(c1ccc([Si](C)(C)C)cc1)c1ccc([Si](C)(C)C)cc1)(C)(C)C.[Na]12([O]3CC[O]1CCOCC[O]2CCOCCOCC3)([O]1CCCC1)[O]1CCCC1
• Title of publication: Increasing the Lipophilic Character of Tetraphenylborate Anions through Silyl Substituents
• Authors of publication: van den Broeke, Joep; Lutz, Martin; Kooijman, Huub; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 2114
• a: 13.54 ± 0.002 Å
• b: 20.606 ± 0.003 Å
• c: 27.693 ± 0.003 Å
• α: 90°
• β: 118.86 ± 0.02°
• γ: 90°
• Cell volume: 6767 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No