Information card for entry 7241050

Structure parameters

• Formula: C12 H6 N3 O5 Zn
• Calculated formula: C12 H6 N3 O5 Zn
• 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: 13.338 ± 0.003 Å
• b: 23.519 ± 0.005 Å
• c: 19.056 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5978 ± 2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No