Information card for entry 7711498

Structure parameters

• Formula: C14 H17 Cu N O4 S
• Calculated formula: C14 H17 Cu N O4 S
• Title of publication: Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity
• Authors of publication: Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.0609 ± 0.0006 Å
• b: 5.5831 ± 0.0003 Å
• c: 12.5961 ± 0.0006 Å
• α: 90°
• β: 100.181 ± 0.005°
• γ: 90°
• Cell volume: 765.61 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No