Information card for entry 7201198

Structure parameters

• Formula: C28 H30 Cu F12 N4 O6
• Calculated formula: C28 H30 Cu F12 N4 O6
• Title of publication: Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz
• Authors of publication: Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 31
• Pages of publication: 6654 - 6663
• a: 10.276 ± 0.002 Å
• b: 12.984 ± 0.003 Å
• c: 13.88 ± 0.003 Å
• α: 99.1 ± 0.03°
• β: 104.02 ± 0.03°
• γ: 104.2 ± 0.03°
• Cell volume: 1694.6 ± 0.8 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: 0.0699
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No