Information card for entry 4514093

Structure parameters

• Formula: C30.75 H22 Cd N3 O7 S2
• Calculated formula: C30.75 H22 Cd N3 O7 S2
• 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: 28.6987 ± 0.0012 Å
• b: 28.6987 ± 0.0012 Å
• c: 23.8 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19602 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No