Information card for entry 4112821

Structure parameters

• Formula: C59 H78 Al N3
• Calculated formula: C59 H78 Al N3
• SMILES: [Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C2)C)C)C)c1c(cccc1C(C)C)C(C)C)Nc1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C
• Title of publication: Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)
• Authors of publication: Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9472 - 9473
• a: 11.806 ± 0.008 Å
• b: 12.766 ± 0.005 Å
• c: 19.718 ± 0.008 Å
• α: 76.04 ± 0.03°
• β: 74.54 ± 0.04°
• γ: 64.63 ± 0.04°
• Cell volume: 2560 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No