Information card for entry 4316701

Structure parameters

• Formula: C58 H60 Gd Mn2 N7 O15
• Calculated formula: C58 H60 Gd Mn2 N7 O15
• SMILES: c12c(cccc1OC)C=[N]1CC3(C[N]4=Cc5cccc6c5[O]5[Mn]7814[N](=Cc1cccc4c1[O]8[Gd]189%105([O]27)([O]2c5c(C=[N]7CC%11(C[N]%12=Cc%13c(c([O]%10C)ccc%13)[O]8[Mn]827%12[N](=Cc2c(c(ccc2)[O]9C)[O]18)C%11)C)cccc5OC)([O]6C)[O]4C)C3)C.O=N(=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: 15.672 ± 0.0007 Å
• b: 15.9438 ± 0.0007 Å
• c: 24.5234 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6127.7 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No