Information card for entry 4114125

Structure parameters

• Chemical name: tetrasodium bis(N,N'-1,4-phenylenebis(oxamate)) cuprate(II) undecahydrate
• Formula: C20 H30 Cu2 N4 Na4 O23
• Calculated formula: C20 H8 Cu2 N4 Na4 O23
• SMILES: O.[Na+].O.[Na+].O.[Cu]123(N(c4ccc(cc4)N4C(=O)C(=O)O[Cu]54(N(c4ccc(cc4)N1C(=O)C(=O)O3)C(=O)C(=O)O5)[OH2])C(=O)C(=O)O2)[OH2].[Na+].O.O.O.O.[Na+].O.O
• Title of publication: Long-Range Magnetic Coupling through Extended π-Conjugated Aromatic Bridges in Dinuclear Copper(II) Metallacyclophanes
• Authors of publication: Emilio Pardo; Juan Faus; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Joan Cano; Xavier Ottenwaelder; Yves Journaux; Rosa Carrasco; Gonzalo Blay; Isabel Fernández; Rafael Ruiz-García
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10770 - 10771
• a: 5.765 ± 0.0003 Å
• b: 11.109 ± 0.0006 Å
• c: 13.156 ± 0.0008 Å
• α: 100.428 ± 0.002°
• β: 98.991 ± 0.0017°
• γ: 92.456 ± 0.004°
• Cell volume: 816.26 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No