Information card for entry 4325656

Structure parameters

• Formula: C28.5 H31 Cu F12 N4 O6
• Calculated formula: C28.5 H31 Cu F12 N4 O6
• 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: 10.3066 ± 0.0006 Å
• b: 13.097 ± 0.0007 Å
• c: 13.5407 ± 0.0008 Å
• α: 99.057 ± 0.004°
• β: 104.945 ± 0.004°
• γ: 103.359 ± 0.004°
• Cell volume: 1671.78 ± 0.18 ų
• Cell temperature: 60 ± 2 K
• Ambient diffraction temperature: 60 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No