Information card for entry 4001375

Structure parameters

• Formula: C18 H26 Cl2 Cu N4 O10
• Calculated formula: C18 H26 Cl2 Cu N4 O10
• SMILES: CC([N]1=[O][Cu]2([n]3c1cccc3)([O]=[N](c1[n]2cccc1)C(C)(C)C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)(C)C
• Title of publication: tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds
• Authors of publication: Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2733
• a: 6.176 ± 0.003 Å
• b: 20.503 ± 0.01 Å
• c: 9.516 ± 0.004 Å
• α: 90°
• β: 104.33 ± 0.04°
• γ: 90°
• Cell volume: 1167.5 ± 1 ų
• Cell temperature: 90 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 significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.475
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No