Information card for entry 7120024

Structure parameters

• Formula: C96 H100 Cu6 P6 Se6 Sn2
• Calculated formula: C96 H100 Cu6 P6 Se6 Sn2
• Title of publication: Lanthanide separation using size-selective crystallization of Ln-MOFs
• Authors of publication: Luo, Feng; Gao, Heng Ya; Peng, Wenli; Meng, PanPan; Feng, Xuefeng; Li, Jianqiang; Wu, HuiQiong; Yan, Chang Sheng; Xiaong, Yang Yang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.1071 ± 0.0005 Å
• b: 16.9092 ± 0.0004 Å
• c: 20.563 ± 0.0008 Å
• α: 90°
• β: 106.893 ± 0.003°
• γ: 90°
• Cell volume: 4693.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No