Information card for entry 4320816

Structure parameters

• Formula: C24 H16 Cu8 O56
• Calculated formula: C24 H16 Cu8 O56
• SMILES: C1(=O)CC(=[O][Cu]2(O1)([OH2])(OC(=O)CC(=[O]2)O[Cu]([OH2])([OH2])([OH2])[OH2])[OH2])O[Cu]([OH2])([OH2])([OH2])[OH2].C1(=O)CC(=O)O[Cu]2(O1)([OH2])(OC(=O)CC(=O)O2)[OH2].[Cu]([OH2])([OH2])(OC1CC(=O)O[Cu]2(OC(=O)CC(=O)O2)([O]=1)([OH2])[OH2])([OH2])[OH2].C1(=O)CC(=O)O[Cu]2(O1)([O]=C(CC(=O)O2)O[Cu]([OH2])([OH2])([OH2])[OH2])([OH2])[OH2]
• Title of publication: Ferromagnetism in Malonato-Bridged Copper(II) Complexes. Synthesis, Crystal Structures, and Magnetic Properties of {[Cu(H2O)3][Cu(mal)2(H2O)]}n and {[Cu(H2O)4]2[Cu(mal)2(H2O)]}[Cu(mal)2(H2O)2]{[Cu(H2O)4][Cu(mal)2(H2O)2]} (H2mal = malonic Acid)
• Authors of publication: Catalina Ruiz-Pérez; Joaquín Sanchiz; María Hernández Molina; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1363 - 1370
• a: 21.1 ± 0.004 Å
• b: 21.088 ± 0.004 Å
• c: 14.007 ± 0.002 Å
• α: 90°
• β: 115.93 ± 0.02°
• γ: 90°
• Cell volume: 5605 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No