Information card for entry 7719133

Structure parameters

• Formula: C30 H22 Cu F12 N2 O8
• Calculated formula: C30 H22 Cu F12 N2 O8
• Title of publication: Complex of copper(II) hexafluoroacetylacetonate with photochromic spiropyran in the merocyanine form: field-induced slow magnetic relaxation and quantum coherence for Cu^II (<i>S</i> = 1/2) and photoswitching of spiropyran ligand.
• Authors of publication: Osipov, Nikita G.; Faraonov, Maxim A.; Yakushev, Ilya A.; Veber, Sergey L.; Fedin, Matvey V.; Denisov, Nikolay N.; Shestakov, Alexander F.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 32
• Pages of publication: 12180 - 12188
• a: 10.9205 ± 0.0005 Å
• b: 12.8915 ± 0.0006 Å
• c: 12.9133 ± 0.0006 Å
• α: 76.051 ± 0.002°
• β: 74.24 ± 0.002°
• γ: 85.016 ± 0.002°
• Cell volume: 1697.57 ± 0.14 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No