Information card for entry 7005685

Structure parameters

• Formula: C37 H35 B Cl2 F15 P
• Calculated formula: C37 H35 B Cl2 F15 P
• SMILES: [P+](c1c(F)c(F)c([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl
• Title of publication: Tuning Lewis acidity using the reactivity of "frustrated Lewis pairs": facile formation of phosphine-boranes and cationic phosphonium-boranes.
• Authors of publication: Welch, Gregory C.; Cabrera, Lourdes; Chase, Preston A.; Hollink, Emily; Masuda, Jason D.; Wei, Pingrong; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3407 - 3414
• a: 14.235 ± 0.003 Å
• b: 25.588 ± 0.005 Å
• c: 21.701 ± 0.003 Å
• α: 90°
• β: 101.113 ± 0.005°
• γ: 90°
• Cell volume: 7756 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1809
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2841
• Weighted residual factors for all reflections included in the refinement: 0.3517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No