Information card for entry 7720077

Structure parameters

• Formula: C17 H13 Cu N3 O3
• Calculated formula: C17 H13 Cu N3 O3
• Title of publication: Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper (II) (S = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands
• Authors of publication: Roy, Amit Saha; Ghosh, Sourav; Nath, Indranil; Caballero, Sergio; Escuer, Albert; Mayans, Julia; Swain, Shasank Sekhar
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.5871 ± 0.0006 Å
• b: 7.6095 ± 0.0005 Å
• c: 12.0102 ± 0.0008 Å
• α: 90°
• β: 96.616 ± 0.003°
• γ: 90°
• Cell volume: 779.56 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No