Information card for entry 4107468

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: 10.8114 ± 0.0017 Å
• b: 13.26 ± 0.002 Å
• c: 13.415 ± 0.002 Å
• α: 99.515 ± 0.002°
• β: 95.225 ± 0.002°
• γ: 114.016 ± 0.002°
• Cell volume: 1705.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No