Information card for entry 4060757

Structure parameters

• Common name: 73THF
• Chemical name: N,N'-Bis{3-[2,2'-methylene-bis(4,6-di-tert-butyl-phenol) -5-methylsalicylidene]}-1,2-ethylenediamine
• Formula: C88 H128 N2 O9
• Calculated formula: C76 H104 N2 O6
• SMILES: C(c1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O)(c1c(O)c(/C=N/CC/N=C/c2c(O)c(C(c3c(c(C(C)(C)C)cc(C(C)(C)C)c3)O)c3c(O)c(C(C)(C)C)cc(C(C)(C)C)c3)cc(c2)C)cc(C)c1)c1c(O)c(C(C)(C)C)cc(C(C)(C)C)c1
• 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: 10.1422 ± 0.0013 Å
• b: 12.3607 ± 0.0016 Å
• c: 17.63 ± 0.003 Å
• α: 84.566 ± 0.006°
• β: 75.12 ± 0.005°
• γ: 88.961 ± 0.006°
• Cell volume: 2126.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No