Information card for entry 4107469

Structure parameters

• Formula: C28 H34 Cu F12 N4 O6
• Calculated formula: C28 H34 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: 10.9007 ± 0.0017 Å
• b: 13.296 ± 0.002 Å
• c: 13.41 ± 0.002 Å
• α: 99.156 ± 0.002°
• β: 95.855 ± 0.002°
• γ: 113.21 ± 0.002°
• Cell volume: 1734.2 ± 0.5 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No