Information card for entry 1564008

Structure parameters

• Formula: C36 H27 N12 O12 Zn2
• Calculated formula: C36 H27 N12 O12 Zn2
• Title of publication: A luminescent zinc(II) coordination polymer as a highly selective and sensitive chemosensor for Fe(III) cation and Cr(VI) anions detection in aqueous solution
• Authors of publication: Li, Ling; Deng, Zhao-Yang; Xie, Xin; Zou, Ji-Yong; You, Sheng-Yong; Chen, Kai-Hong; Le, Jin-Feng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119940
• a: 14.82 ± 0.0008 Å
• b: 32.601 ± 0.003 Å
• c: 19.2529 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9302 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.3285
• Weighted residual factors for all reflections included in the refinement: 0.349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No