Information card for entry 7120256

Structure parameters

• Common name: TJU-1
• Chemical name: [Cu4(OH)6][O3S(CH2)4SO3]
• Formula: C2 H0 Cu2 O6 S
• Calculated formula: C2 Cu2 O6 S
• Title of publication: Exfoliation of a Two-Dimensional Cationic Inorganic Network as a New Paradigm for High-Capacity CrVI-Anion Capture
• Authors of publication: Yang, Huimin; Fei, Honghan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.6115 ± 0.0015 Å
• b: 6.0587 ± 0.0012 Å
• c: 10.068 ± 0.002 Å
• α: 90°
• β: 93.612 ± 0.007°
• γ: 90°
• Cell volume: 341.62 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No