Information card for entry 7034048

Structure parameters

• Formula: C30 H47 Al N2
• Calculated formula: C30 H47 Al N2
• SMILES: [Al](C)(C)(C)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.
• Authors of publication: Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15166 - 15174
• a: 17.8289 ± 0.0013 Å
• b: 10.1831 ± 0.0007 Å
• c: 16.5889 ± 0.001 Å
• α: 90°
• β: 107.807 ± 0.002°
• γ: 90°
• Cell volume: 2867.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.1204
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No