Information card for entry 4060756

Structure parameters

• Common name: 6
• Chemical name: 3-(2,2'-methylene-bis(4,6-di-tert-butyl-phenol)- 5-methylsalicylidenebenzylimine
• Formula: C44 H57 N O3
• Calculated formula: C44 H57 N O3
• 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: 11.5753 ± 0.0008 Å
• b: 11.203 ± 0.0007 Å
• c: 29.5529 ± 0.0019 Å
• α: 90°
• β: 90.359 ± 0.001°
• γ: 90°
• Cell volume: 3832.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1821
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No