Information card for entry 4348223

Structure parameters

• Formula: C84 H92 N O8 Y
• Calculated formula: C84 H92 N O8 Y
• SMILES: [Y]1234([O]=C(c5ccccc5)C=C(O3)c3ccccc3)(OC(=CC(=[O]4)c3ccccc3)c3ccccc3)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O2)c1ccccc1.[N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCC
• Title of publication: The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]
• Authors of publication: Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 503
• a: 16.5033 ± 0.0004 Å
• b: 24.3631 ± 0.0008 Å
• c: 18.6445 ± 0.0004 Å
• α: 90°
• β: 105.028 ± 0.002°
• γ: 90°
• Cell volume: 7240 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No