Information card for entry 4316702

Structure parameters

• Formula: C58 H60 Mn2 N7 O15 Tb
• Calculated formula: C58 H60 Mn2 N7 O15 Tb
• SMILES: C1C2(C[N]3=Cc4cccc(c4[O]4[Mn]5673[N]1=Cc1cccc(c1[O]6[Tb]13684([O]7c4c(C=[N]5C2)cccc4[O]6C)[O]2c4c(C=[N]5CC6(C[N]7=Cc9cccc(c9[O]1[Mn]1257[N](C6)=Cc2cccc(c2[O]31)OC)OC)C)cccc4[O]8C)OC)OC)C.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: 15.6736 ± 0.001 Å
• b: 24.5055 ± 0.0019 Å
• c: 15.921 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6115.1 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0509
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No