Information card for entry 4107472

Structure parameters

• Formula: C28 H34 Cu F12 N4 O6
• Calculated formula: C28 H29 Cu F12 N4 O6
• Title of publication: High-Field EPR Reveals the Strongly Temperature-Dependent Exchange Interaction in "Breathing" Crystals Cu(hfac)2LR
• Authors of publication: Sergey L. Veber; Matvey V. Fedin; Alexey I. Potapov; Ksenia Yu. Maryunina; Galina V. Romanenko; Renad Z. Sagdeev; Victor I. Ovcharenko; Daniella Goldfarb; Elena G. Bagryanskaya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2444 - 2445
• a: 11.328 ± 0.003 Å
• b: 13.42 ± 0.003 Å
• c: 13.55 ± 0.003 Å
• α: 98.366 ± 0.004°
• β: 96.956 ± 0.004°
• γ: 112.218 ± 0.004°
• Cell volume: 1851.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No