Information card for entry 7235125

Structure parameters

• Formula: C26 H25 Cu F12 N4 O6
• Calculated formula: C26 H25 Cu F12 N4 O6
• Title of publication: Cu(ii) complex with nitronyl nitroxide whose paramagnetism is suppressed by temperature decrease and/or pressure increase
• Authors of publication: N. A. Artiukhova; G. V. Romanenko; A. S. Bogomyakov; I. Yu. Barskaya; S. L. Veber; M. V. Fedin; K. Yu. Maryunina; K. Inoue; V. I. Ovcharenko
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 11157 - 11163
• a: 13.0582 ± 0.0005 Å
• b: 15.5436 ± 0.0005 Å
• c: 16.7528 ± 0.0006 Å
• α: 90°
• β: 111.039 ± 0.002°
• γ: 90°
• Cell volume: 3173.7 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 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: 0.0691
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No