Information card for entry 7043823

Structure parameters

• Formula: C14 H19 Cu N O6
• Calculated formula: C14 H19 Cu N O6
• SMILES: O=Cc1cc(C)cc2c1O[Cu]1([N]3(C2)CCC[C@H]3C(=O)O1)([OH2])[OH2]
• Title of publication: Twisting Induces Ferromagnetism in Homometallic Clusters
• Authors of publication: Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.142 ± 0.0009 Å
• b: 10.8966 ± 0.0015 Å
• c: 18.928 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No