Information card for entry 4111950

Structure parameters

• Formula: C37 H56 Al Ni O P
• Calculated formula: C24.6667 H37.3333 Al0.666667 Ni0.666667 O0.666667 P0.666667
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[Al]([O]1[C@@]1([C@H](C2)Cc2ccccc12)c1ccccc1)([CH3]3)(C)C.[Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[Al]([O]1[C@]1([C@@H](C2)Cc2ccccc12)c1ccccc1)([CH3]3)(C)C
• Title of publication: AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process
• Authors of publication: Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12810 - 12811
• a: 12.1325 ± 0.0005 Å
• b: 12.228 ± 0.0006 Å
• c: 14.3338 ± 0.0007 Å
• α: 68.703 ± 0.001°
• β: 74.016 ± 0.003°
• γ: 88.774 ± 0.003°
• Cell volume: 1897.34 ± 0.16 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 5.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No