Information card for entry 4060758

Structure parameters

• Common name: 9CH2Cl2C5H12
• Chemical name: [(6)Al2Me3]
• Formula: C53 H77 Al2 Cl2 N O3
• Calculated formula: C47 H63 Al2 N O3
• SMILES: [Al]12(Oc3c(C(c4c(O1)c(C(C)(C)C)cc(C(C)(C)C)c4)c1c4[O]2[Al]([N](=Cc4cc(C)c1)Cc1ccccc1)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)C
• Title of publication: Synthesis and Reactivity of Bi-, Tri-, and Hexametallic and Zwitterionic Methyl Aluminum Complexes Containing a Phenoxide/Imine Ligand System
• Authors of publication: Andrew Cottone, III; Dolores Morales; Jennifer L. Lecuivre; Michael J. Scott
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 418 - 428
• a: 28.448 ± 0.002 Å
• b: 17.2688 ± 0.0013 Å
• c: 20.4503 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10046.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No