Information card for entry 4066346

Structure parameters

• Formula: C65 H94 Al3 N5
• Calculated formula: C65 H94 Al3 N5
• SMILES: [Al]1(N([Al](N([Al](N1c1c(cccc1C(C)C)C(C)C)([N]#Cc1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)([N]#Cc1c(cccc1C(C)C)C(C)C)C
• 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: 25.157 ± 0.005 Å
• b: 14.943 ± 0.003 Å
• c: 34.178 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12848 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No