Information card for entry 7019402

Structure parameters

• Common name: (ONO)Al(tetrachloroquinone)(py)
• Formula: C43 H55 Al Cl4 N2 O5
• Calculated formula: C43 H55 Al Cl4 N2 O5
• SMILES: [Al]123(Oc4c(N3c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)([O]=c1c(=[O]2)c(Cl)c(Cl)c(Cl)c1Cl)[n]1ccccc1.O(CC)CC
• 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: 15.3772 ± 0.0008 Å
• b: 19.3065 ± 0.0009 Å
• c: 17.0976 ± 0.0008 Å
• α: 90°
• β: 93.796 ± 0.001°
• γ: 90°
• Cell volume: 5064.8 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No