Information card for entry 7036691

Structure parameters

• Formula: C23 H23 Cu F12 N4 O6
• Calculated formula: C23 H23 Cu F12 N4 O6
• Title of publication: Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.
• Authors of publication: Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18823 - 18830
• a: 30.4776 ± 0.0018 Å
• b: 9.6557 ± 0.0006 Å
• c: 25.8393 ± 0.0015 Å
• α: 90°
• β: 126.221 ± 0.0019°
• γ: 90°
• Cell volume: 6134.5 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No