Information card for entry 2108684

Structure parameters

• Chemical name: Poly[[diaqua(μ-4,4'-bipyridine)[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)] monohydrate]
• Formula: C26 H20 N2 O12 Zn2
• Calculated formula: C26 H20 N2 O12 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: 7.8759 ± 0.0008 Å
• b: 8.0318 ± 0.0008 Å
• c: 20.59 ± 0.002 Å
• α: 86.441 ± 0.002°
• β: 88.986 ± 0.001°
• γ: 72.182 ± 0.002°
• Cell volume: 1237.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes