Information card for entry 4325768

Structure parameters

• Formula: C78 H96 Gd4 N8 O18
• Calculated formula: C78 H96 Gd4 N8 O18
• 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: 11.8151 ± 0.0008 Å
• b: 14.4643 ± 0.001 Å
• c: 14.7798 ± 0.001 Å
• α: 106.382 ± 0.001°
• β: 110.8 ± 0.001°
• γ: 103.296 ± 0.001°
• Cell volume: 2106.3 ± 0.3 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: 0.0946
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No