Information card for entry 4066343

Structure parameters

• Formula: C124 H164 Al4 N8
• Calculated formula: C124 H164 Al4 N8
• SMILES: C1(=[N]2[Al](N([Al](C)(N1c1c(cccc1C(C)C)C(C)C)[N]#Cc1ccc(cc1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(C)[N]1=C(c3ccc(cc3)C(C)(C)C)N([Al](C)(N([Al]21C)c1c(cccc1C(C)C)C(C)C)[N]#Cc1ccc(cc1)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 13.6963 ± 0.0004 Å
• b: 17.2583 ± 0.0006 Å
• c: 23.8216 ± 0.0009 Å
• α: 90°
• β: 95.751 ± 0.003°
• γ: 90°
• Cell volume: 5602.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1662
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No