Information card for entry 1514424

Structure parameters

• Formula: C136 Cl16 Gd2 N8 O74 Si2 W20
• Calculated formula: C136 Cl16 Gd2 N8 O74 Si2 W20
• Title of publication: Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates
• Authors of publication: Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 596
• a: 15.2981 ± 0.0001 Å
• b: 47.7123 ± 0.0004 Å
• c: 15.6288 ± 0.0001 Å
• α: 90°
• β: 108.609 ± 0.0005°
• γ: 90°
• Cell volume: 10811.2 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKY=a
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No