Information card for entry 1544238

Structure parameters

• Formula: C64 H102 O8 Y2
• Calculated formula: C64 H102 O8 Y2
• SMILES: [Y]1(Oc2c(cccc2C(C)(C)C)C(C)(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)([OH][Y](Oc2c(cccc2C(C)(C)C)C(C)(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)([O]2CCCC2)[OH]1)[O]1CCCC1
• Title of publication: Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.
• Authors of publication: Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1288 - 1294
• a: 19.3525 ± 0.0005 Å
• b: 15.6285 ± 0.0003 Å
• c: 20.6896 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6257.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No