Information card for entry 2312418

Structure parameters

• Chemical name: Poly[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl]methanone-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-5-bromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]
• Formula: C29 H21 Br N4 O5 Zn
• Calculated formula: C29 H21 Br N4 O5 Zn
• Title of publication: A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium.
• Authors of publication: Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 4
• a: 9.73 ± 0.005 Å
• b: 16.52 ± 0.009 Å
• c: 17.649 ± 0.01 Å
• α: 90°
• β: 103.19 ± 0.02°
• γ: 90°
• Cell volume: 2762 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes