Information card for entry 4325645

Structure parameters

• Formula: C19.33 H21.33 Cu0.67 F8 N2.67 O4
• Calculated formula: C19.3333 H21.3333 Cu0.666667 F8 N2.66667 O4
• Title of publication: Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2- Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly
• Authors of publication: Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Renad Z. Sagdeev; Victor I. Ovcharenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6597 - 6609
• a: 10.92 ± 0.004 Å
• b: 13.535 ± 0.005 Å
• c: 13.573 ± 0.005 Å
• α: 99.352 ± 0.006°
• β: 111.855 ± 0.006°
• γ: 96.908 ± 0.006°
• Cell volume: 1801 ± 1.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No