Information card for entry 4074840

Structure parameters

• Formula: C82 H124 Al2 N6
• Calculated formula: C82 H124 Al2 N6
• SMILES: CC1=C2[C@H]3C[C@@H](C4C(=[N]([Al]([N]2=4)(N1c1c(cccc1C(C)C)C(C)C)(CC(C)C)CC(C)C)c1c(cccc1C(C)C)C(C)C)C)[C@@H]1C2=C(C)N([Al]4([N]2=C(C(C)=[N]4c2c(cccc2C(C)C)C(C)C)[C@H]3C1)(CC(C)C)CC(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.653 ± 0.003 Å
• b: 16.9159 ± 0.0015 Å
• c: 21.622 ± 0.003 Å
• α: 90°
• β: 95.783 ± 0.016°
• γ: 90°
• Cell volume: 3876.6 ± 1.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections: 0.1916
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No