Information card for entry 4343049

Structure parameters

• Formula: C44 H45 Dy O5
• Calculated formula: C44 H45 Dy O5
• SMILES: [Dy]123456(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)([O]1CCCC1)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability of Magnetism.
• Authors of publication: Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5162 - 5168
• a: 14.1877 ± 0.0004 Å
• b: 12.2396 ± 0.0004 Å
• c: 24.4095 ± 0.0008 Å
• α: 90°
• β: 119.265 ± 0.002°
• γ: 90°
• Cell volume: 3697.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No