Information card for entry 4066344

Structure parameters

• Formula: C57 H78 Al3 N5
• Calculated formula: C57 H78 Al3 N5
• SMILES: [Al@@]1(N([Al](C)N([Al@@]([N]#Cc2c(cccc2C)C)(N1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)(C)[N]#Cc1c(C)cccc1C
• 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: 12.288 ± 0.0014 Å
• b: 20.243 ± 0.003 Å
• c: 12.5337 ± 0.0016 Å
• α: 90°
• β: 115.408 ± 0.015°
• γ: 90°
• Cell volume: 2816.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2792
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No