Information card for entry 4346686

Structure parameters

• Formula: C20 H30 Al Cl N4 O2
• Calculated formula: C20 H30 Al Cl N4 O2
• SMILES: [Al]12(Cl)(ON(c3[n]1cc(cc3)C)C(C)(C)C)ON(c1[n]2cc(cc1)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.
• Authors of publication: Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10901 - 10908
• a: 17.6435 ± 0.0006 Å
• b: 8.6012 ± 0.0003 Å
• c: 44.327 ± 0.0016 Å
• α: 90°
• β: 93.585 ± 0.002°
• γ: 90°
• Cell volume: 6713.7 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.05
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No