Information card for entry 4349676

Structure parameters

• Formula: C118 H108 Dy4 N16 O16 S6
• Calculated formula: C118 H108 Dy4 N16 O16 S6
• SMILES: [n]12cccc3c(/N=C/c4sccc4C)ccc([O]4[Dy]56781([O]1c9ccc(/N=C/c%10sccc%10C)c%10ccc[n](c9%10)[Dy]9%10%11%121([OH]6[Dy]146%13([n]4cccc%14c(/N=C/c%15sccc%15C)ccc([O]1[Dy]1%15%16([n]%17cccc%18c(ccc(c%17%18)[O]%111)/N=C/c1sccc1C)([n]1cccc%11c(/N=C/c%17sccc%17C)ccc([O]%12%16)c1%11)([O]=C(C)C=C(O%15)C)[OH]%10%13)c4%14)([O]8c1ccc(c4ccc[n]7c14)/N=C/c1sccc1C)[O]=C(C)C=C(O6)C)[O]=C(C)C=C(O9)C)[O]=C(C)C=C(O5)C)c23.N#CC.N#CC.N#CC.N#CC
• Title of publication: Fine-tuning the magnetocaloric effect and SMMs behaviors of coplanar RE4 complexes by β-diketonate coligands
• Authors of publication: Gao, Hong-Ling; Wang, Ni-Ni; Wang, Wen-Min; Shen, Hai-Yun; Zhou, Xiao-Pu; Chang, Yi-Xin; Zhang, Ru-Xia; Cui, Jian-Zhong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 860
• a: 12.4701 ± 0.0018 Å
• b: 14.82 ± 0.002 Å
• c: 31.502 ± 0.005 Å
• α: 90°
• β: 98.786 ± 0.002°
• γ: 90°
• Cell volume: 5753.5 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0864
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No