Information card for entry 7043899

Structure parameters

• Formula: C16 H24 Dy N7 O10
• Calculated formula: C16 H24 Dy N7 O10
• SMILES: [Dy]1234(OC(=N[N]3=C(N)c3[n]4cccc3)c3ccncc3)(ON(=[O]1)=O)([O]=N(=O)[O]2)([OH]CC)[OH]CC.O
• 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: 10.892 ± 0.004 Å
• b: 24.65 ± 0.009 Å
• c: 9.988 ± 0.003 Å
• α: 90°
• β: 94.966 ± 0.007°
• γ: 90°
• Cell volume: 2671.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No