Information card for entry 4066341

Structure parameters

• Formula: C98 H144 Al4 N8
• Calculated formula: C98 H144 Al4 N8
• SMILES: C[Al]1([N](c2c(C(C)C)cccc2C(C)C)=C(N2[Al](C)(N3C(=[N](c4c(C(C)C)cccc4C(C)C)[Al](C)([NH]([Al]23C)c2c(C(C)C)cccc2C(C)C)Nc2c(cccc2C(C)C)C(C)C)c2ccc(C(C)(C)C)cc2)[NH]1c1c(C(C)C)cccc1C(C)C)c1ccc(C(C)(C)C)cc1)Nc1c(C(C)C)cccc1C(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: 15.7017 ± 0.0015 Å
• b: 17.1465 ± 0.0009 Å
• c: 17.9144 ± 0.0013 Å
• α: 90°
• β: 105.631 ± 0.009°
• γ: 90°
• Cell volume: 4644.7 ± 0.6 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: 0.2481
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No