Information card for entry 7232386

Structure parameters

• Formula: C23 H29.5 N5.5 O6 Zn
• Calculated formula: C23 H29.5 N5.5 O6 Zn
• Title of publication: Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds
• Authors of publication: Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2333
• a: 9.1863 ± 0.0006 Å
• b: 16.2887 ± 0.0012 Å
• c: 17.375 ± 0.0014 Å
• α: 90°
• β: 99.022 ± 0.007°
• γ: 90°
• Cell volume: 2567.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No