Information card for entry 4060762

Structure parameters

• Common name: 132CH2Cl2
• Chemical name: [(5H)+AlMe-]
• Formula: C41 H50 Al Cl4 N O3
• Calculated formula: C40 H48 Al Cl2 N O3
• SMILES: [Al]12(C)Oc3c(cc(cc3C(C)(C)C)C)C(c4c(O1)c(C(C)(C)C)cc(C)c4)c1c(O2)c(cc(C)c1)C=[NH+]Cc1ccccc1.C(Cl)Cl
• 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: 9.5604 ± 0.0009 Å
• b: 25.374 ± 0.002 Å
• c: 17.1538 ± 0.0016 Å
• α: 90°
• β: 98.415 ± 0.002°
• γ: 90°
• Cell volume: 4116.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No