Information card for entry 4066342

Structure parameters

• Formula: C80 H120 Al4 N6
• Calculated formula: C80 H120 Al4 N6
• SMILES: [Al]123([Al]4([N]1([Al]15([Al]6([N]21C(=[N]6c1c(C(C)C)cccc1C(C)C)c1ccc(cc1)C(C)(C)C)(N5c1c(C(C)C)cccc1C(C)C)C)C)C(=[N]4c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C)(N3c1c(C(C)C)cccc1C(C)C)C)C.C(CCC)CC
• Title of publication: Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks
• Authors of publication: Maheswari, K.; Rajendran, N. M.; Meyer, Jens; Reddy, N. Dastagiri
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3799
• a: 16.9091 ± 0.0005 Å
• b: 18.1419 ± 0.0005 Å
• c: 25.6946 ± 0.0008 Å
• α: 90°
• β: 95.189 ± 0.002°
• γ: 90°
• Cell volume: 7849.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1404
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No