Information card for entry 4316700

Structure parameters

• Formula: C59 H64 Co2 Dy N7 O16
• Calculated formula: C59 H64 Co2 Dy N7 O16
• SMILES: C1C2(C[N]3=Cc4cccc(c4[O]4[Co]5673[N]1=Cc1cccc(c1[O]6[Dy]136894([O]7c4c(C=[N]5C2)cccc4[O]6C)[O]2c4c(C=[N]5CC6(C[N]7=Cc8cccc(c8[O]3[Co]3257[N](C6)=Cc2cccc(c2[O]13)[O]8C)OC)C)cccc4[O]9C)OC)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: 15.7227 ± 0.001 Å
• b: 15.8241 ± 0.001 Å
• c: 24.3813 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6066 ± 0.7 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: 0.0485
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No