Information card for entry 7120032

Structure parameters

• Formula: C39 H36 Co N3 O9
• Calculated formula: C39 H36 Co N3 O9
• SMILES: c12c(cccc1C=[N](Cc1ccco1)[Co]13([N](=Cc4c(c(ccc4)OC)O1)Cc1ccco1)([N](=Cc1c(c(ccc1)OC)O3)Cc1ccco1)O2)OC
• 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: 10.8547 ± 0.0004 Å
• b: 9.5515 ± 0.0003 Å
• c: 34.259 ± 0.001 Å
• α: 90°
• β: 95.246 ± 0.004°
• γ: 90°
• Cell volume: 3537 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No