Information card for entry 4109821

Structure parameters

• Chemical name: [bis(3,6-di-tert-butyl-catechalato)(1-methylimidazole))copper(II)]
• Formula: C44 H64 Cu2 N8 O4
• Calculated formula: C44 H64 Cu2 N8 O4
• Title of publication: Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)
• Authors of publication: Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10512 - 10521
• a: 7.1324 ± 0.0007 Å
• b: 17.6776 ± 0.0017 Å
• c: 18.2915 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2306.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No