Information card for entry 4316703

Structure parameters

• Formula: C59 H64 Dy Mn2 N7 O16
• Calculated formula: C59 H64 Dy Mn2 N7 O16
• SMILES: C1C2(C[N]3=Cc4cccc5c4[O]4[Mn]6783[N]1=Cc1cccc(c1[O]8[Dy]1384([O]7c4c(C=[N]6C2)cccc4OC)([O]2c4c(C=[N]6CC7(C[N]9=Cc%11cccc(c%11[O]1[Mn]1269[N](C7)=Cc2cccc(c2[O]31)[O]8C)OC)C)cccc4OC)[O]5C)OC)C.CO.N(=O)(=O)[O-]
• Title of publication: Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties
• Authors of publication: Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9125 - 9135
• a: 15.6534 ± 0.0007 Å
• b: 15.9509 ± 0.0008 Å
• c: 24.489 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6114.6 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No