Information card for entry 7125320

Structure parameters

• Formula: C9 H6 Cl0.25 N2 O5 Tb0.5
• Calculated formula: C9 H4 Cl0.25 N2 O5 Tb0.5
• Title of publication: An anionic sod-type terbium-MOF with extra-large cavities for effective anthocyanin extraction and methyl viologen detection.
• Authors of publication: Du, Wei; Zhu, Zhifeng; Bai, Yue-Ling; Yang, Zhen; Zhu, Shourong; Xu, Jiaqiang; Xie, Zhaoxiong; Fang, Jianhui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 5972 - 5975
• a: 54.8796 ± 0.0009 Å
• b: 54.8796 ± 0.0009 Å
• c: 54.8796 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 165285 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 6
• Space group number: 226
• Hermann-Mauguin space group symbol: F m -3 c
• Hall space group symbol: -F 4a 2 3
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No