Information card for entry 2021594

Structure parameters

• Chemical name: Poly[[di-μ-aqua-diaquabis{μ~5~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}tricadmium(II)] dihydrate]
• Formula: C54 H42 Cd3 O24
• Calculated formula: C54 H42 Cd3 O24
• Title of publication: Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization
• Authors of publication: Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 575 - 583
• a: 7.9134 ± 0.0018 Å
• b: 9.06 ± 0.002 Å
• c: 18.63 ± 0.004 Å
• α: 95.21 ± 0.03°
• β: 100.79 ± 0.03°
• γ: 107.14 ± 0.03°
• Cell volume: 1238.5 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes