Information card for entry 4349672

Structure parameters

• Formula: C154 H118 Er4 N14 O16 S6
• Calculated formula: C154 H118 Er4 N14 O16 S6
• 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: 15.1438 ± 0.0011 Å
• b: 16.2441 ± 0.0015 Å
• c: 16.6165 ± 0.0013 Å
• α: 77.179 ± 0.007°
• β: 70.291 ± 0.007°
• γ: 76.535 ± 0.007°
• Cell volume: 3696.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No