Information card for entry 1548369

Structure parameters

• Common name: [Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]
• Formula: C15 H7 O7.59 Th
• Calculated formula: C15 H7 O7.59333 Th
• Title of publication: A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants
• Authors of publication: Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 1354
• a: 26.009 ± 0.004 Å
• b: 26.009 ± 0.004 Å
• c: 9.8065 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5745 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No