Information card for entry 4317930

Structure parameters

• Chemical name: Compound 1
• Formula: C42 H48 Al6 N6
• Calculated formula: C42 H48 Al6 N6
• SMILES: C([N]12[AlH]3[N]4([AlH]5[N](Cc6ccccc6)([AlH]6[N]7(Cc8ccccc8)[AlH]([N]56Cc5ccccc5)[N]3(Cc3ccccc3)[AlH]27)[AlH]14)Cc1ccccc1)c1ccccc1
• Title of publication: Reactions of AlH3.NMe3 with Nitriles: Structural Characterization and Substitution Reactions of Hexameric Aluminum Imides
• Authors of publication: N. Dastagiri Reddy; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2374 - 2378
• a: 15.7457 ± 0.0013 Å
• b: 15.7457 ± 0.0013 Å
• c: 14.949 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3209.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0861
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No