Information card for entry 4081726

Structure parameters

• Formula: C41 H25 Al F15 P
• Calculated formula: C41 H25 Al F15 P
• SMILES: [Al](CC[P+](c1c(C)cccc1)(c1ccccc1C)c1c(C)cccc1)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs
• Authors of publication: Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6759
• a: 11.4324 ± 0.0007 Å
• b: 19.0421 ± 0.0014 Å
• c: 20.4558 ± 0.0014 Å
• α: 90°
• β: 104.824 ± 0.002°
• γ: 90°
• Cell volume: 4304.9 ± 0.5 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: 0.0993
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No