Information card for entry 4349673

Structure parameters

• Formula: C114 H102 Gd4 N14 O16 S6
• Calculated formula: C114 H98 Gd4 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: 12.516 ± 0.002 Å
• b: 14.781 ± 0.003 Å
• c: 31.602 ± 0.005 Å
• α: 90°
• β: 98.855 ± 0.003°
• γ: 90°
• Cell volume: 5776.7 ± 1.8 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: 0.096
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No