Information card for entry 7713957

Structure parameters

• Formula: C48 H39 N14 O16 Zn4
• Calculated formula: C48 H39 N14 O16 Zn4
• Title of publication: The gas-selective Zn-MOF exhibits selective sensing of Fe3+ ions by doping with Tb3+
• Authors of publication: Wang, Zhi Gang; Ding, Tao; Fei, Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 24.2346 ± 0.0005 Å
• b: 24.4346 ± 0.0005 Å
• c: 28.728 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17011.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.2865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No