Information card for entry 7237367

Structure parameters

• Formula: C9 H4 N4 O4 Zn
• Calculated formula: C9 H5 N4 O4 Zn
• Title of publication: A difunctional metal‒organic framework with Lewis basic sites demonstrating turn-off sensing of Cu2+ and sensitization of Ln3+
• Authors of publication: Zhou, En-Long; Qin, Chao; Tian, Dan; Wang, Xin-Long; Yang, Bing-Xiao; Huang, Ling; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 29
• Pages of publication: 7874
• a: 12.345 ± 0.005 Å
• b: 9.502 ± 0.005 Å
• c: 18.61 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.448 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2153.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2592
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No