Information card for entry 7019404

Structure parameters

• Common name: (ONOq)AlCl(Ph2acac)
• Formula: C49 H57 Al Cl N O4
• Calculated formula: C49 H57 Al Cl N O4
• SMILES: [Al]123(Cl)(N(=c4c(=[O]1)c(cc(c4)C(C)(C)C)C(C)(C)C)=c1c(=[O]2)c(cc(c1)C(C)(C)C)C(C)(C)C)OC(=CC(=[O]3)c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Aluminum complexes of the redox-active [ONO] pincer ligand.
• Authors of publication: Szigethy, Géza; Heyduk, Alan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8144 - 8152
• a: 9.7048 ± 0.0003 Å
• b: 19.0132 ± 0.0006 Å
• c: 24.0765 ± 0.0008 Å
• α: 90°
• β: 95.92°
• γ: 90°
• Cell volume: 4418.9 ± 0.2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No