Information card for entry 7000421

Structure parameters

• Formula: C31 H45 Al Br0.5 Cl0.5 Li2 N3 O3
• Calculated formula: C31 H45 Al Br0.5 Cl0.5 Li2 N3 O3
• 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: 10.6809 ± 0.0002 Å
• b: 20.5331 ± 0.0004 Å
• c: 15.2723 ± 0.0003 Å
• α: 90°
• β: 93.2816 ± 0.0009°
• γ: 90°
• Cell volume: 3343.91 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No