Information card for entry 7000417

Structure parameters

• Formula: C21 H25 Al Li N3 O
• Calculated formula: C21 H25 Al Li N3 O
• SMILES: [Al]12(CC)c3[n](cccc3)[Li]([n]3c1cccc3)([n]1c2cccc1)[O]1CCCC1
• 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: 8.8009 ± 0.0018 Å
• b: 9.8739 ± 0.0002 Å
• c: 12.8545 ± 0.0003 Å
• α: 78.9146 ± 0.0009°
• β: 71.2169 ± 0.0009°
• γ: 76.9896 ± 0.001°
• Cell volume: 1021.7 ± 0.2 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: 0.0588
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No