Information card for entry 4102978

Structure parameters

• Formula: C22 H39 Al2 Cl2 N3
• Calculated formula: C22 H39 Al2 Cl2 N3
• SMILES: [Al]1([NH](CCN2C=1N(c1c(cc(cc1C)C)C)C=C2)C(C)(C)C)(C)C.[Al](Cl)(Cl)(C)C
• Title of publication: Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation
• Authors of publication: Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11887 - 11889
• a: 14.981 ± 0.003 Å
• b: 25.995 ± 0.005 Å
• c: 6.9486 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2269
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No