Information card for entry 7720078

Structure parameters

• Formula: C76 H80 Cu4 N8 O20
• Calculated formula: C76 H80 Cu4 N8 O20
• 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: 8.9072 ± 0.0004 Å
• b: 10.1735 ± 0.0005 Å
• c: 22.3801 ± 0.0011 Å
• α: 98.737 ± 0.002°
• β: 90.706 ± 0.002°
• γ: 100.614 ± 0.002°
• Cell volume: 1968.5 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No