Information card for entry 7230627

Structure parameters

• Formula: C25 H24 Cu F12 N3 O5
• Calculated formula: C25 H24 Cu F12 N3 O5
• Title of publication: Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)
• Authors of publication: Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 21
• Pages of publication: 2961
• a: 9.5751 ± 0.0004 Å
• b: 32.409 ± 0.0013 Å
• c: 10.9213 ± 0.0005 Å
• α: 90°
• β: 106.865 ± 0.0013°
• γ: 90°
• Cell volume: 3243.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No