Information card for entry 7019682

Structure parameters

• Formula: C42 H72 Al2 P2
• Calculated formula: C42 H72 Al2 P2
• SMILES: c1([P@]2(/C(=C\C(C)(C)C)[Al](CC)(CC)[P@](c3c(cc(cc3C)C)C)(C(=C\C(C)(C)C)/[Al]2(CC)CC)CC)CC)c(cc(cc1C)C)C
• Title of publication: Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.
• Authors of publication: Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J. Chris; Lammertsma, Koop; Uhl, Werner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9033 - 9045
• a: 10.449 ± 0.0001 Å
• b: 15.3975 ± 0.0002 Å
• c: 13.6643 ± 0.0002 Å
• α: 90°
• β: 106.326 ± 0.001°
• γ: 90°
• Cell volume: 2109.78 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No