Information card for entry 2022381

Structure parameters

• Chemical name: Poly[[diaqua[μ~6~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dilead(II)] 2.5-hydrate]
• Formula: C23 H29 O12.5 Pb2
• Calculated formula: C23 H20 O10 Pb2
• Title of publication: Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties
• Authors of publication: Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 291 - 298
• a: 11.607 ± 0.005 Å
• b: 14.951 ± 0.006 Å
• c: 15.017 ± 0.006 Å
• α: 90°
• β: 100.287 ± 0.007°
• γ: 90°
• Cell volume: 2564.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1295
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes