Information card for entry 4074839

Structure parameters

• Formula: C39 H58 Al N3
• Calculated formula: C39 H58 Al N3
• SMILES: [Al]12(CC)(CC)N3C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)=CC=CC3(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)CC
• Title of publication: Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction
• Authors of publication: Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 1036
• a: 12.8955 ± 0.0015 Å
• b: 16.811 ± 0.003 Å
• c: 17.1893 ± 0.0019 Å
• α: 87.81 ± 0.019°
• β: 79.367 ± 0.011°
• γ: 89.436 ± 0.018°
• Cell volume: 3659.7 ± 0.9 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No