Information card for entry 4339707

Structure parameters

• Formula: C58 H83 Al3 N6
• Calculated formula: C58 H83 Al3 N6
• SMILES: [Al]1(N([Al@@](N([Al@](N1c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)N(C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)C.c1cc(ccc1)C.[Al]1(N([Al@](N([Al@@](N1c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)N(C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C)c1c(cccc1C(C)C)C(C)C)C.c1cc(ccc1)C
• 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: 12.768 ± 0.003 Å
• b: 13.144 ± 0.003 Å
• c: 18.283 ± 0.004 Å
• α: 97.29 ± 0.03°
• β: 109.16 ± 0.03°
• γ: 91.13 ± 0.03°
• Cell volume: 2868.7 ± 1.3 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: 0.2292
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No