Information card for entry 4316704

Structure parameters

• Formula: C58 H60 Cl Fe2 Gd N6 O16
• Calculated formula: C58 H60 Cl Fe2 Gd N6 O16
• SMILES: C1C2(C[N]3=Cc4cccc5c4[O]4[Fe]67893[N](C2)=Cc2cccc3c2[O]7[Gd]27%10%11%12%1349([O]8c4c(C=[N]16)cccc4OC)([O]1c4c(C=[N]6CC8(C[N]9=Cc%14cccc(c%14[O]7[Fe]7%13169[N](C8)=Cc1cccc(c1[O]27)[O]%11C)[O]%12C)C)cccc4[O]%10C)([O]3C)[O]5C)C.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: 15.779 ± 0.003 Å
• b: 15.973 ± 0.003 Å
• c: 24.064 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6065 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0477
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No