Information card for entry 4060761

Structure parameters

• Common name: 121CH2Cl2
• Chemical name: [(5){AlMe2}{AlMe(OSMe2)}]
• Formula: C44.25 H59.5 Al2 Cl2.5 N O4 S
• Calculated formula: C43 H57 Al2 N O4 S
• SMILES: [Al]3(Oc4c(C(c5c(O[Al]2([O]=S(C)C)C)c(C(C)(C)C)cc(C)c5)c1c(O2)c(C(C)(C)C)cc(C)c1)cc(cc4C=[N]3Cc1ccccc1)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: 12.7251 ± 0.0008 Å
• b: 15.7782 ± 0.001 Å
• c: 23.4282 ± 0.0014 Å
• α: 90°
• β: 99.951 ± 0.001°
• γ: 90°
• Cell volume: 4633.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1076
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No