Information card for entry 4312235

Structure parameters

• Formula: C22 H44 Cu2 Mg N4 O15
• Calculated formula: C22 H44 Cu2 Mg N4 O15
• SMILES: c12ccccc1C(=O)N1[Cu]3(O2)OCC[NH]3CC1.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c12ccccc1C(=O)N1CC[NH]3[Cu]1(O2)OCC3.O
• Title of publication: Unprecedented (Cu2Ln)n Complexes (Ln = Gd3+, Tb3+): A New "Single Chain Magnet"
• Authors of publication: Jean-Pierre Costes; Juan Modesto Clemente-Juan; Françoise Dahan; Julie Milon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8200 - 8202
• a: 20.336 ± 0.0018 Å
• b: 9.899 ± 0.0008 Å
• c: 15.4056 ± 0.0013 Å
• α: 90°
• β: 91.927 ± 0.01°
• γ: 90°
• Cell volume: 3099.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No