Information card for entry 4112820

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(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N1c3c(cccc3c3c(cccc3C(C)C)C(C)C)C3=C(C=C[C@@H]2[C@@]13C(C)C)C(C)C.[Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N1c3c(cccc3c3c(cccc3C(C)C)C(C)C)C3=C(C=C[C@H]2[C@]13C(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: 12.3496 ± 0.0006 Å
• b: 26.2644 ± 0.0015 Å
• c: 16.0109 ± 0.0007 Å
• α: 90°
• β: 104.051 ± 0.004°
• γ: 90°
• Cell volume: 5037.8 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No