Information card for entry 4325636

Structure parameters

• Formula: C18.67 H19.33 Cu0.67 F8 N2.67 O4
• Calculated formula: C18.6667 H19.3333 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: 10.49 ± 0.004 Å
• b: 13.148 ± 0.005 Å
• c: 14.091 ± 0.006 Å
• α: 99.462 ± 0.006°
• β: 103.441 ± 0.006°
• γ: 105.565 ± 0.007°
• Cell volume: 1766.8 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No