Information card for entry 7043898

Structure parameters

• Formula: C14 H20 Dy N7 O10
• Calculated formula: C14 H20 Dy N7 O10
• SMILES: [Dy]1234([OH2])([O]=N(=O)O2)([OH2])(ON(=[O]1)=O)OC(=N[N]4=C(N)c1[n]3cccc1)c1ccncc1.OCC
• Title of publication: Interchange between coordinated and lattice solvents generates the highest energy barrier within nine-coordinated DyIII single molecule magnets
• Authors of publication: Sun, Lin; Zhang, Sheng; Jiang, Zhijie; Yang, Qi; Chen, Sanping; Zhang, Yiquan; Wang, Wenyuan; Wei, Qing; Xie, Gang
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.653 ± 0.002 Å
• b: 10.785 ± 0.003 Å
• c: 13.375 ± 0.004 Å
• α: 90.525 ± 0.005°
• β: 92.108 ± 0.004°
• γ: 104.345 ± 0.005°
• Cell volume: 1068.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No