Information card for entry 7244436

Structure parameters

• Formula: C12 H8 N6 Zn
• Calculated formula: C12 H8 N6 Zn
• Title of publication: Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution
• Authors of publication: Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.342 ± 0.0017 Å
• b: 10.0637 ± 0.0016 Å
• c: 12.093 ± 0.002 Å
• α: 90°
• β: 109.291 ± 0.003°
• γ: 90°
• Cell volume: 1188 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No