Information card for entry 4329945

Structure parameters

• Formula: C65 H108 Cl3 N8 O19 Yb
• Calculated formula: C60 H84 Cl3 N8 O12 Yb
• SMILES: c12[OH][Yb]345([OH]c6c(cccc6CNCCN(CCNCc2cccc1OC)CCNCc1c([OH]4)c(OC)ccc1)OC)[OH]c1c(cccc1CNCCN(CCNCc1c([OH]3)c(OC)ccc1)CCNCc1c([OH]5)c(OC)ccc1)OC.[Cl-].[Cl-].[Cl-]
• Title of publication: A Six-Coordinate Ytterbium Complex Exhibiting Easy-Plane Anisotropy and Field-Induced Single-Ion Magnet Behavior
• Authors of publication: Jun-Liang Liu; Kang Yuan; Ji-Dong Leng; Liviu Ungur; Wolfgang Wernsdorfer; Fu-Sheng Guo; Liviu F. Chibotaru; Ming-Liang Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8538 - 8544
• a: 25.76 ± 0.005 Å
• b: 15.08 ± 0.005 Å
• c: 21.271 ± 0.002 Å
• α: 90°
• β: 114.844 ± 0.01°
• γ: 90°
• Cell volume: 7498 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No