Information card for entry 2021407

Structure parameters

• Chemical name: Poly[[diaqua[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ-5,5'-methylenebis(3-carboxy-2,4,6-trimethylbenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^]zinc(II)] hemihydrate]
• Formula: C42 H39 N4 O10.5 Zn
• Calculated formula: C42 H39.5 N4 O10.25 Zn
• Title of publication: A three-dimensional Zn^II^ coordination network based on 5,5'-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties
• Authors of publication: Chen, Zhen; Sun, Yanwen; Liu, Zi-an; Wang, Ning; Yang, Xue; You, Xiaomeng; Wang, Xiaozhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 8 - 14
• a: 11.099 ± 0.009 Å
• b: 12.917 ± 0.011 Å
• c: 26.55 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3806 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c a a
• Hall space group symbol: -P 2ac 2c
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes