Information card for entry 4074841

Structure parameters

• Formula: C40 H51 Al2 Cl6 N3
• Calculated formula: C40 H51 Al2 Cl6 N3
• SMILES: [Al]12(Cl)(Cl)[n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)C.[Al](Cl)(Cl)(Cl)[Cl-].c1(ccccc1)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: 24.292 ± 0.005 Å
• b: 13.808 ± 0.003 Å
• c: 27.336 ± 0.005 Å
• α: 90°
• β: 102.06 ± 0.02°
• γ: 90°
• Cell volume: 8967 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections: 0.2422
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No