Information card for entry 4349843

Structure parameters

• Formula: C118 H180 Dy4 N8 O26
• Calculated formula: C118 H180 Dy4 N8 O26
• SMILES: c12c3[n]4c(cc1)C=[N]1[N]5=C(O[Dy]6741([OH]C)([O](c3ccc2)[Dy]1234([n]8c9c(cccc9ccc8C=[N]1[N]1=C(O3)C(=[N](O)[Dy]3891([O]=C(C(C)(C)C)C=C(O3)C(C)(C)C)([O]=C(C(C)(C)C)C=C(O8)C(C)(C)C)[O]=C(C(C)(C)C)C=C(C(C)(C)C)O9)C)[O]62)([O]=C(C(C)(C)C)C=C(O4)C(C)(C)C)[OH]C)[O]=C(C(C)(C)C)C=C(O7)C(C)(C)C)C(=[N]([Dy]1235([O]=C(C(C)(C)C)C=C(O1)C(C)(C)C)([O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O3)C(C)(C)C)O)C.CO.CO
• Title of publication: Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters
• Authors of publication: Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1876
• a: 12.2174 ± 0.0004 Å
• b: 15.9283 ± 0.0006 Å
• c: 19.3779 ± 0.0007 Å
• α: 77.667 ± 0.001°
• β: 77.782 ± 0.001°
• γ: 68.551 ± 0.001°
• Cell volume: 3391.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No