Information card for entry 7036592

Structure parameters

• Formula: C30 H50 Dy2 N8 Ni2 O28
• Calculated formula: C30 H50 Dy2 N8 Ni2 O28
• Title of publication: Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets.
• Authors of publication: Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18544 - 18552
• a: 11.5441 ± 0.0004 Å
• b: 10.2056 ± 0.0004 Å
• c: 21.1065 ± 0.0007 Å
• α: 90°
• β: 102.089 ± 0.003°
• γ: 90°
• Cell volume: 2431.51 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No