Information card for entry 4346685

Structure parameters

• Formula: C18 H26 Al Cl N4 O2
• Calculated formula: C18 H26 Al Cl N4 O2
• SMILES: [Al]12([n]3ccccc3N(O1)C(C)(C)C)([n]1ccccc1N(O2)C(C)(C)C)Cl
• 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: 8.5966 ± 0.001 Å
• b: 23.621 ± 0.003 Å
• c: 9.6039 ± 0.0011 Å
• α: 90°
• β: 97.033 ± 0.006°
• γ: 90°
• Cell volume: 1935.5 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No