Information card for entry 4081725

Structure parameters

• Formula: C29 H Al2 I6 P
• Calculated formula: C29 H37 Al2 I6 P
• SMILES: [Al](CC[P+](c1c(C)cc(cc1C)C)(c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)(I)([I][Al](I)(I)I)I
• 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: 11.611 ± 0.004 Å
• b: 12.081 ± 0.004 Å
• c: 15.584 ± 0.005 Å
• α: 82.234 ± 0.011°
• β: 86.866 ± 0.011°
• γ: 62.2 ± 0.01°
• Cell volume: 1915.9 ± 1.1 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: 0.0914
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No