Information card for entry 1556365

Structure parameters

• Formula: C22 H50 Dy3 N8 O21
• Calculated formula: C22 H49 Dy3 N8 O21
• SMILES: [Dy]1234567([O]8[Dy]9%10%11%12([O]%13[Dy]%14%15%16%17%18([N](CC[OH]%17)(CC[N]%14(CCO%18)CC[O]39%15)CC%13)(ON(=[O]%16)=O)[O]5%10CC[N]2(CC[OH]4)CC[N]7(CC8)CC[OH]1)(ON(=[O]%11)=O)[O]=N(=O)O%12)[O]=N(=O)O6.OCC
• Title of publication: A single-molecule magnet assembly exhibiting a dielectric transition at 470 K
• Authors of publication: Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3366
• a: 28.1795 ± 0.0007 Å
• b: 14.8684 ± 0.0004 Å
• c: 8.9668 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3756.95 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No