Information card for entry 4514092

Structure parameters

• Formula: C22 H22 N4 O6 S2 Zn
• Calculated formula: C22 H22 N4 O6 S2 Zn
• Title of publication: Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.
• Authors of publication: Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 17
• Pages of publication: 15164
• a: 24.404 ± 0.007 Å
• b: 14.181 ± 0.007 Å
• c: 9.304 ± 0.003 Å
• α: 90°
• β: 99.608 ± 0.008°
• γ: 90°
• Cell volume: 3175 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No