Information card for entry 2234439

Structure parameters

• Chemical name: 2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate
• Formula: C31 H21 B F15 N
• Calculated formula: C25 H7 B F15 N
• SMILES: c1cccc(C=C)[n]1[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: 2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate
• Authors of publication: Klahn, Marcus; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1261
• a: 12.4173 ± 0.0002 Å
• b: 17.1269 ± 0.0003 Å
• c: 13.9211 ± 0.0002 Å
• α: 90°
• β: 100.889 ± 0.001°
• γ: 90°
• Cell volume: 2907.29 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes