Information card for entry 7000420

Structure parameters

• Formula: C23 H29 Al Li N3 O
• Calculated formula: C23 H29 Al Li N3 O
• SMILES: [Al]12(c3[n](cccc3)[Li]([O]3CCCC3)([n]3c2cccc3)[n]2c1cccc2)C(C)(C)C
• Title of publication: Metal and ligand substitution of the aluminium tris-pyridyl ligands [RAl(2-py′)3]− (R = Et, nBu, sBu, tBu; 2-py′ = 2-pyridyl, 3-methyl-2-pyridyl, 5-methyl-2-pyridyl, 6-methyl-2-pyridyl)
• Authors of publication: Bullock, Thomas H.; Chan, Wesley T. K.; Eisler, Dana J.; Streib, Manuel; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 1046 - 1054
• a: 8.5915 ± 0.0003 Å
• b: 10.902 ± 0.0004 Å
• c: 13.4453 ± 0.0006 Å
• α: 87.743 ± 0.001°
• β: 77.87 ± 0.001°
• γ: 69.878 ± 0.002°
• Cell volume: 1155.34 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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 all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1584
• 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