Information card for entry 7011616

Structure parameters

• Formula: C12 H29 Al Li N3
• Calculated formula: C12 H29 Al Li N3
• Title of publication: An unsolvated lithium trihydroaluminate and the correponding trialkynylaluminates supported by an anionic triazacyclononane ligand
• Authors of publication: Cui, Chunming; Schmidt, Joseph A. R.; Arnold, John
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 2992
• a: 9.195 ± 0.0001 Å
• b: 13.4305 ± 0.0003 Å
• c: 13.0959 ± 0.0003 Å
• α: 90°
• β: 106.265 ± 0.001°
• γ: 90°
• Cell volume: 1552.53 ± 0.05 ų
• Cell temperature: 139.2 K
• Ambient diffraction temperature: 139.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.771
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No