Information card for entry 7241051

Structure parameters

• Formula: C22 H11 N5 O7 Zn2
• Calculated formula: C22 H11 N5 O7 Zn2
• Title of publication: Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption
• Authors of publication: Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 20.5369 ± 0.0012 Å
• b: 20.5369 ± 0.0012 Å
• c: 34.603 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12639 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No