Information card for entry 7000419

Structure parameters

• Formula: C23 H29 Al Li N3 O
• Calculated formula: C23 H29 Al Li N3 O
• SMILES: [Al]12(c3cccc[n]3[Li]([n]3c2cccc3)([n]2c1cccc2)[O]1CCCC1)C(C)CC
• 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: 8.6092 ± 0.0017 Å
• b: 10.901 ± 0.002 Å
• c: 13.329 ± 0.003 Å
• α: 89.22 ± 0.03°
• β: 75.87 ± 0.03°
• γ: 72.09 ± 0.03°
• Cell volume: 1151.7 ± 0.5 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: 0.1632
• Residual factor for significantly intense reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.3526
• Weighted residual factors for all reflections included in the refinement: 0.3694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.489
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No