Information card for entry 7227073

Structure parameters

• Formula: C37 H22 Br Cu Dy F30 N3 O13
• Calculated formula: C37 H22 Br Cu Dy F30 N3 O13
• SMILES: [Dy]123(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1c[n]([Cu]34([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)cc(Br)c1)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[OH2]
• Title of publication: Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties
• Authors of publication: Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9345
• a: 17.578 ± 0.004 Å
• b: 14.131 ± 0.003 Å
• c: 22.056 ± 0.004 Å
• α: 90°
• β: 106.7 ± 0.03°
• γ: 90°
• Cell volume: 5248 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No