Information card for entry 4079467

Structure parameters

• Formula: C39 H63 Al N2 O4
• Calculated formula: C39 H63 Al N2 O4
• SMILES: [Al]12(Oc3c(cc(cc3C[N]31CCOCC3)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1C[N]12CCOCC1)C(C)(C)C)C(C)(C)C)C
• Title of publication: Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations
• Authors of publication: Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8145
• a: 19.976 ± 0.004 Å
• b: 13.016 ± 0.003 Å
• c: 29.35 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7631 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2374
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No