Information card for entry 7059710

Structure parameters

• Formula: C9 H2 N15 O4 S Zn2
• Calculated formula: C9 H2 N15 O4 S Zn2
• Title of publication: A three-dimensional metal‒organic framework with high performance of dual cation sensing synthesized via single-crystal transformation
• Authors of publication: Talha, Khalid; Alamgir,; He, Tao; Xie, Lin-Hua; Wang, Bin; Zhao, Min-Jian; Zhang, Yong-Zheng; Chen, Qiang; Li, Jian-Rong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11829 - 11834
• a: 17.2632 ± 0.0007 Å
• b: 25.2792 ± 0.0015 Å
• c: 10.2353 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4466.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No