Information card for entry 4343050

Structure parameters

• Formula: C57 H63 Dy O5
• Calculated formula: C57 H63 Dy O5
• SMILES: [Dy]123456([O]=C(c7ccccc7)C=C(O1)c1ccccc1)([O]1CCCC1)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)[c]1([c]3([c]4([c]5([c]61CCC)CCC)CCC)CCC)c1ccccc1
• 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: 13.822 ± 0.003 Å
• b: 16.192 ± 0.003 Å
• c: 23.408 ± 0.005 Å
• α: 90°
• β: 105.43 ± 0.03°
• γ: 90°
• Cell volume: 5050 ± 1.9 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: 0.0702
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No