Information card for entry 4345862

Structure parameters

• Formula: C48 H68 N8 O39 Tb4
• Calculated formula: C48 H68 N8 O39 Tb4
• Title of publication: Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2
• Authors of publication: Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 21.71 ± 0.0004 Å
• b: 21.71 ± 0.0004 Å
• c: 30.5654 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14406.2 ± 0.7 ų
• Cell temperature: 122.15 ± 0.1 K
• Ambient diffraction temperature: 122.15 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No