Information card for entry 1565468

Structure parameters

• Formula: C168 H126 Gd4 N14 O16
• Calculated formula: C168 H126 Gd4 N14 O16
• SMILES: N(=C\c1c2ccccc2cc2c1cccc2)/c1ccc2[O]3[Gd]45678([O]=C(C)C=C(O6)C)[n]6c9c([O]4[Gd]4%10%11%12%13([n]%14c%15c([O]%10[Gd]%10%16%17([n]%18c%19c([O]%10[Gd]%10%203([n]3c2c1ccc3)([n]1c2c([O]5%10)ccc(/N=C/c3c5ccccc5cc5c3cccc5)c2ccc1)([O]=C(C)C=C(O%20)C)[OH]7%17)ccc(/N=C/c1c2ccccc2cc2c1cccc2)c%19ccc%18)([O]%11c1ccc(/N=C/c2c3ccccc3cc3c2cccc3)c2c1[n]4ccc2)([O]=C(C)C=C(O%16)C)[OH]8%13)ccc(/N=C/c1c2ccccc2cc2c1cccc2)c%15ccc%14)[O]=C(C)C=C(O%12)C)ccc(/N=C/c1c2ccccc2cc2c1cccc2)c9ccc6.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: 14.4655 ± 0.0005 Å
• b: 19.699 ± 0.0009 Å
• c: 24.7036 ± 0.001 Å
• α: 90°
• β: 100.242 ± 0.0014°
• γ: 90°
• Cell volume: 6927.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.1097
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No