Information card for entry 4346688

Structure parameters

• Formula: C50 H62 Al B N4 O4
• Calculated formula: C50 H62 Al B N4 O4
• SMILES: [Al]12(ON(c3[n]1cccc3)C(C)(C)C)(ON(c1[n]2cccc1)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.214 ± 0.002 Å
• b: 12.694 ± 0.002 Å
• c: 27.138 ± 0.005 Å
• α: 90°
• β: 102.217 ± 0.009°
• γ: 90°
• Cell volume: 4449 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No