Information card for entry 7717958

Structure parameters

• Chemical name: [N,N'-bis(2-pyridylmethylene)-1,4-butanediamine]copper(II) perchlorate acetate
• Formula: C18 H21 Cl Cu N4 O6
• Calculated formula: C18 H21 Cl Cu N4 O6
• Title of publication: The relative impact of ligand flexibility and redox potential on the activity of Cu superoxide dismutase mimics.
• Authors of publication: Signorella, Sharon; Bruno, Micaela; Frattini, Gianfranco; Palopoli, Claudia M.; Moreno, Diego M.; Pellegri, Nora; Daier, Verónica A; Signorella, Sandra R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4187 - 4200
• a: 7.0578 ± 0.0008 Å
• b: 24.333 ± 0.003 Å
• c: 12.4664 ± 0.0013 Å
• α: 90°
• β: 102.707 ± 0.003°
• γ: 90°
• Cell volume: 2088.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1227
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No