Information card for entry 2108683

Structure parameters

• Chemical name: Poly[diaqua[1,4-bis(1<it>H</it>-imidazol-1-yl)benzene][μ~4~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]
• Formula: C28 H20 N4 O11 Zn2
• Calculated formula: C28 H20 N4 O11 Zn2
• Title of publication: Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties
• Authors of publication: Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• a: 10.07 ± 0.003 Å
• b: 12.144 ± 0.003 Å
• c: 14.172 ± 0.004 Å
• α: 104.63 ± 0.005°
• β: 105.637 ± 0.005°
• γ: 109.156 ± 0.005°
• Cell volume: 1461.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes