Information card for entry 4081724

Structure parameters

• Formula: C29 H37 Al2 Cl6 P
• Calculated formula: C29 H37 Al2 Cl6 P
• SMILES: [Al](CC[P+](c1c(C)cc(C)cc1C)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)([Cl][Al](Cl)(Cl)Cl)(Cl)Cl
• 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: 10.9674 ± 0.001 Å
• b: 11.7777 ± 0.0012 Å
• c: 14.9368 ± 0.0015 Å
• α: 80.549 ± 0.004°
• β: 87.525 ± 0.004°
• γ: 63.969 ± 0.004°
• Cell volume: 1709.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No