Information card for entry 7720076

Structure parameters

• Formula: C16 H10 Cu N4 O S
• Calculated formula: C16 H10 Cu N4 O S
• 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: 8.5837 ± 0.0005 Å
• b: 24.7178 ± 0.0012 Å
• c: 7.6373 ± 0.0004 Å
• α: 90°
• β: 113.709 ± 0.002°
• γ: 90°
• Cell volume: 1483.64 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No