Information card for entry 7228752

Structure parameters

• Formula: C13 H9 N O5 Zn
• Calculated formula: C13 H9 N O5 Zn
• Title of publication: Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules
• Authors of publication: Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 58
• Pages of publication: 36575
• a: 12.4729 ± 0.0005 Å
• b: 7.8274 ± 0.0003 Å
• c: 12.5069 ± 0.0006 Å
• α: 90°
• β: 104.642 ± 0.004°
• γ: 90°
• Cell volume: 1181.4 ± 0.09 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: 0.0604
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No