Information card for entry 4339708

Structure parameters

• Formula: C68 H91 Al3 N6
• Calculated formula: C68 H91 Al3 N6
• SMILES: [Al]1(N([Al](N([Al](N1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Alumazene adducts with pyridines: synthesis, structure, and stability studies.
• Authors of publication: Löbl, Jiri; Timoshkin, Alexey Y.; Cong, Trinh; Necas, Marek; Roesky, Herbert W.; Pinkas, Jiri
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5678 - 5685
• a: 12.6189 ± 0.0002 Å
• b: 20.3632 ± 0.0003 Å
• c: 24.1086 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6194.97 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No