Information card for entry 7019686

Structure parameters

• Formula: C25 H35 Al N O P
• Calculated formula: C25 H35 Al N O P
• SMILES: [P+]1(c2ccccc2)(/C(=C/C(C)(C)C)[Al](N(C1=O)c1ccccc1)(CC)CC)CC
• 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: 12.8546 ± 0.0005 Å
• b: 12.3967 ± 0.0009 Å
• c: 16.4403 ± 0.0007 Å
• α: 90°
• β: 110.714 ± 0.003°
• γ: 90°
• Cell volume: 2450.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1459
• 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