Information card for entry 7058182

Structure parameters

• Formula: C13 H9 Cd N O5
• Calculated formula: C13 H9 Cd N O5
• Title of publication: Luminescent metal‒organic frameworks with a 2-(4-pyridyl)-terephthalic acid ligand for detection of acetone
• Authors of publication: An, Fengqin; Zhang, Chengcheng; Duan, Lijuan; Liu, Xiangyu; Wang, Zheng; Jin, Xiaoyong; Song, Weiming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4800
• a: 8.3739 ± 0.0005 Å
• b: 6.8579 ± 0.0004 Å
• c: 21.1309 ± 0.0013 Å
• α: 90°
• β: 94.969 ± 0.001°
• γ: 90°
• Cell volume: 1208.93 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No