Information card for entry 4325769

Structure parameters

• Formula: C114 H138 N10 O22 Tb4
• Calculated formula: C114 H138 N10 O22 Tb4
• SMILES: [C@H]12CCCC[C@H]1[N]1=Cc3c([O]4[Tb]56789([O]%10[Tb]%11%1214([N]2=Cc1c([O]%11[Tb]24%11%10%13([O]%14c%15c(C=[N]%16[C@@H]%17[C@@H](CCCC%17)[N]%17=Cc%18c([O]9[Tb]9%14%16%17([O]82)([O]=C(C)C=C(O9)C)[O]%11C(=CC(=[O]%13)C)C)cccc%18)cccc%15)OC(=CC(=[O]4)C)C)cccc1)([O]=C(C)C=C(O%12)C)[O]6C(=CC(=[O]7)C)C)OC(=CC(=[O]5)C)C)cccc3.[NH+](=C\c1ccccc1O)/[C@@H]1CCCC[C@H]1/[NH+]=C/c1c(cccc1)O.N#CC.[NH+](=C\c1c(cccc1)O)/[C@H]1CCCC[C@@H]1/[NH+]=C/c1c(cccc1)O.N#CC
• Title of publication: Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands
• Authors of publication: Peng-Fei Yan; Po-Heng Lin; Fatemah Habib; Tomoko Aharen; Muralee Murugesu; Zhao-Peng Deng; Guang-Ming Li; Wen-Bin Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7059 - 7065
• a: 13.583 ± 0.0018 Å
• b: 14.1528 ± 0.0019 Å
• c: 16.344 ± 0.002 Å
• α: 80.304 ± 0.002°
• β: 71.039 ± 0.002°
• γ: 74.676 ± 0.002°
• Cell volume: 2854 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No