Information card for entry 7031964

Structure parameters

• Formula: C24 H31 Al Li N3 O
• Calculated formula: C24 H31 Al Li N3 O
• SMILES: [Al]12(c3cccc(C)[n]3[Li]([n]3c1cccc3C)([n]1c2cccc1C)[O]1CCCC1)CC
• Title of publication: Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).
• Authors of publication: García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14045 - 14053
• a: 10.7216 ± 0.0003 Å
• b: 16.928 ± 0.0005 Å
• c: 13.0438 ± 0.0004 Å
• α: 90°
• β: 100.93 ± 0.001°
• γ: 90°
• Cell volume: 2324.44 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No