Information card for entry 7019401

Structure parameters

• Common name: (ONO)HAlBr.THF
• Formula: C32 H49 Al Br N O3
• Calculated formula: C32 H49 Al Br N O3
• SMILES: [Al]12(Br)(Oc3c([NH]2c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 11.164 ± 0.0006 Å
• b: 11.6148 ± 0.0006 Å
• c: 25.4263 ± 0.0013 Å
• α: 90°
• β: 96.37 ± 0.001°
• γ: 90°
• Cell volume: 3276.6 ± 0.3 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: 0.0271
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No