Information card for entry 4514892

Structure parameters

• Formula: C12 H18 Al Cl9 Ga2 N6
• Calculated formula: C12 H18 Al Cl9 Ga2 N6
• SMILES: [Ga]([Cl-])(Cl)(Cl)Cl.[Ga](Cl)([Cl-])(Cl)Cl.Cl[Al]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.N#CC
• Title of publication: Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation
• Authors of publication: Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 9789
• a: 10.0468 ± 0.0005 Å
• b: 14.4215 ± 0.0007 Å
• c: 20.9082 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3029.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No