Information card for entry 1565469

Structure parameters

• Formula: C168 H126 Dy4 N14 O16
• Calculated formula: C168 H126 Dy4 N14 O16
• SMILES: N(=C\c1c2ccccc2cc2c1cccc2)/c1ccc2[O]3[Dy]4567([n]8c2c1ccc8)([n]1c2c([O]5[Dy]589%103([OH]3[Dy]%11%12%13%14([n]%15c%16c([O]%14[Dy]%14%173([n]3c%18c([O]4%14)ccc(/N=C/c4c%14ccccc%14cc%14c4cccc%14)c%18ccc3)(OC(=CC(=[O]%17)C)C)([O]%11c3ccc(/N=C/c4c%14ccccc%14cc%14c4cccc%14)c4c3[n]%13ccc4)[OH]78)ccc(/N=C/c3c4ccccc4cc4c3cccc4)c%16ccc%15)([O]9c3ccc(/N=C/c4c7ccccc7cc7c4cccc7)c4c3[n]5ccc4)[O]=C(C)C=C(O%12)C)OC(=CC(=[O]%10)C)C)ccc(/N=C/c3c4ccccc4cc4c3cccc4)c2ccc1)OC(=CC(=[O]6)C)C.N#CC.N#CC
• Title of publication: Two LnIII4 (LnIII = Gd and Dy) clusters constructed by 8-hydroxyquinoline schiff base and β-diketonate coligand: Magnetic refrigeration property and single-molecule magnet behavior
• Authors of publication: Hou, Yin-Ling; Han, Xue; Hu, Xin-Yan; Shen, Jie-Xuan; Wang, Jie; Shi, Ying; Ji, Jia; Hua, Yu-Peng; Wang, Wen-Min
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119290
• a: 14.4736 ± 0.0005 Å
• b: 19.6747 ± 0.0007 Å
• c: 24.6633 ± 0.0008 Å
• α: 90°
• β: 100.256 ± 0.0012°
• γ: 90°
• Cell volume: 6911 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No