Information card for entry 4325767

Structure parameters

• Formula: C70 H92 N4 O22 Sm4
• Calculated formula: C70 H84 N4 O22 Sm4
• SMILES: c12ccccc1[O]1[Sm]34567([O]=C(C=C(O3)C)C)[O]3C(=CC(=[O][Sm]89%1013(OC(=CC(=[O]8)C)C)[OH]4[Sm]1348(OC(=CC(=[O]4)C)C)([OH]%10[Sm]4%10%11%12([N](=Cc%13c([O]94)cccc%13)[C@@H]4CCCC[C@@H]4[N]%10=Cc4ccccc4[O]1%11)([O]=C(C=C(O%12)C)C)[O]8C(=CC(=[O]3)C)C)[O]7c1ccccc1C=[N]5[C@H]1CCCC[C@H]1[N]6=C2)C)C.O.O.O.O
• 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: 27.1629 ± 0.0017 Å
• b: 15.3001 ± 0.0011 Å
• c: 20.3369 ± 0.0011 Å
• α: 90°
• β: 99.448 ± 0.001°
• γ: 90°
• Cell volume: 8337.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No