Information card for entry 4102977

Structure parameters

• Formula: C48 H76 Al N7 Ni O
• Calculated formula: C48 H76 Al N7 Ni O
• 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: 19.7429 ± 0.0005 Å
• b: 13.5697 ± 0.0004 Å
• c: 18.3723 ± 0.0005 Å
• α: 90°
• β: 96.805 ± 0.002°
• γ: 90°
• Cell volume: 4887.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No