Information card for entry 7120037

Structure parameters

• Formula: C16.5 H6 N3.5 O7.5 Sm
• Calculated formula: C16.5 H6 N3.5 O7.5 Sm
• 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: 15.5354 ± 0.0008 Å
• b: 15.8981 ± 0.001 Å
• c: 13.3111 ± 0.0008 Å
• α: 90°
• β: 112.592 ± 0.003°
• γ: 90°
• Cell volume: 3035.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No