Information card for entry 4333278

Structure parameters

• Formula: C56 H78 Al3 N5
• Calculated formula: C56 H78 Al3 N5
• 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)C.Cc1ccccc1.[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)C.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: 12.847 ± 0.003 Å
• b: 13.472 ± 0.003 Å
• c: 16.384 ± 0.003 Å
• α: 91.9 ± 0.03°
• β: 103.11 ± 0.03°
• γ: 96.52 ± 0.03°
• Cell volume: 2738.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No