Information card for entry 4316697

Structure parameters

• Formula: C59 H64 Cl Dy Fe2 N6 O17
• Calculated formula: C59 H64 Cl Dy Fe2 N6 O17
• SMILES: C1C2(C[N]3=Cc4cccc5c4[O]4[Fe]67893[N]1=Cc1cccc(c1[O]7[Dy]137%1049([O]8c4c(C=[N]6C2)cccc4OC)([O]2c4c(C=[N]6CC8(C[N]9=Cc%11cccc(c%11[O]1[Fe]1%10269[N](C8)=Cc2cccc(c2[O]31)OC)[O]7C)C)cccc4OC)[O]5C)OC)C.CO.Cl(=O)(=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: 15.6543 ± 0.0007 Å
• b: 15.9364 ± 0.0008 Å
• c: 24.087 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6009.1 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No