Information card for entry 2240044

Structure parameters

• Chemical name: Triphenyl(vinyl)phosphonium tetraphenylborate
• Formula: C45 H40 B P
• Calculated formula: C45 H40 B P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)/C=C/C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of triphenyl(vinyl)phosphonium tetraphenylborate
• Authors of publication: Bradfield, Joseph L.; Braun, Richard A.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; Mirjafari, Arsalan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1143
• a: 9.2752 ± 0.0004 Å
• b: 35.7838 ± 0.0015 Å
• c: 10.9515 ± 0.0005 Å
• α: 90°
• β: 100.721 ± 0.004°
• γ: 90°
• Cell volume: 3571.4 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes