Information card for entry 4079465

Structure parameters

• Formula: C35 H57 Al N4 O2
• Calculated formula: C35 H57 Al N4 O2
• SMILES: [Al]12(Oc3c(C(C)(C)C)cc(C)cc3C[N]31CCN(C)CC3)(Oc1c(C(C)(C)C)cc(C)cc1C[N]12CCN(C)CC1)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: 9.096 ± 0.003 Å
• b: 13.328 ± 0.004 Å
• c: 14.479 ± 0.004 Å
• α: 97.164 ± 0.005°
• β: 93.365 ± 0.006°
• γ: 96.972 ± 0.006°
• Cell volume: 1723.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No