Information card for entry 4324166

Structure parameters

• Formula: C40 H43 B F10 N P
• Calculated formula: C40 H43 B F10 N P
• SMILES: [B](P(C1CCCCC1)C1CCCCC1)([n]1ccc(cc1)C(C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C
• Title of publication: Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2
• Authors of publication: Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 336 - 344
• a: 9.8554 ± 0.0005 Å
• b: 12.3799 ± 0.0006 Å
• c: 16.473 ± 0.0008 Å
• α: 72.596 ± 0.002°
• β: 78.921 ± 0.002°
• γ: 86.032 ± 0.002°
• Cell volume: 1881.95 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No