Information card for entry 4067631

Structure parameters

• Formula: C40 H61 Al P2
• Calculated formula: C40 H61 Al P2
• SMILES: P12(=[C](=CC(C)(C)C)[Al](C1=C(P(c1ccccc1)C2=CC(C)(C)C)C(C)(C)C)(CC(C)(C)C)CC(C)(C)C)c1ccccc1
• Title of publication: C≡C Triple Bond Activation by Heterocyclic Aluminum Phosphinides
• Authors of publication: Westenberg, Hauke; Slootweg, J. Chris; Hepp, Alexander; Kösters, Jutta; Roters, Steffi; Ehlers, Andreas W.; Lammertsma, Koop; Uhl, Werner
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1323
• a: 10.4008 ± 0.0005 Å
• b: 10.9142 ± 0.0005 Å
• c: 18.2195 ± 0.0008 Å
• α: 76.269 ± 0.003°
• β: 79.021 ± 0.003°
• γ: 81.93 ± 0.003°
• Cell volume: 1962.48 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No