Information card for entry 4339143

Structure parameters

• Formula: C23 H23 Cu F12 N4 O6
• Calculated formula: C23 H21 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: 30.503 ± 0.002 Å
• b: 9.6056 ± 0.0007 Å
• c: 25.8351 ± 0.0019 Å
• α: 90°
• β: 126.003 ± 0.001°
• γ: 90°
• Cell volume: 6123.8 ± 0.8 ų
• Cell temperature: 229 ± 2 K
• Ambient diffraction temperature: 229 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No