Information card for entry 4339139

Structure parameters

• Formula: C23 H23 Cu F12 N4 O6
• Calculated formula: C23 H23 Cu F12 N4 O6
• Title of publication: Thermally induced spin transitions in nitroxide-copper(II)-nitroxide spin triads studied by EPR.
• Authors of publication: Fedin, Matvey; Veber, Sergey; Gromov, Igor; Maryunina, Ksenia; Fokin, Sergey; Romanenko, Galina; Sagdeev, Renad; Ovcharenko, Victor; Bagryanskaya, Elena
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11405 - 11415
• a: 30.306 ± 0.002 Å
• b: 9.6673 ± 0.0006 Å
• c: 25.6901 ± 0.0015 Å
• α: 90°
• β: 126.469 ± 0.001°
• γ: 90°
• Cell volume: 6052.7 ± 0.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No