Information card for entry 7000422

Structure parameters

• Formula: C23 H29 Al Li N3 O
• Calculated formula: C23 H29 Al Li N3 O
• SMILES: [Al]12(C)c3[n]([Li]([n]4c1ccc(c4)C)([n]1c2ccc(c1)C)[O]1CCCC1)cc(cc3)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: 9.1682 ± 0.0002 Å
• b: 17.6265 ± 0.0005 Å
• c: 14.6745 ± 0.0005 Å
• α: 90°
• β: 99.3419 ± 0.0011°
• γ: 90°
• Cell volume: 2340 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No