Information card for entry 2108682

Structure parameters

• Chemical name: Poly[triaqua[μ~6~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)]
• Formula: C16 H12 O12 Zn2
• Calculated formula: C16 H12 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: 16.1681 ± 0.0013 Å
• b: 16.261 ± 0.0013 Å
• c: 13.7893 ± 0.0011 Å
• α: 90°
• β: 110.508 ± 0.001°
• γ: 90°
• Cell volume: 3395.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes