Information card for entry 1514799

Structure parameters

• Formula: C20 H16 Cu N5 O4
• Calculated formula: C20 H16 Cu N5 O4
• Title of publication: A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
• Authors of publication: Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3678
• a: 9.399 ± 0.0019 Å
• b: 9.848 ± 0.002 Å
• c: 21.834 ± 0.004 Å
• α: 90°
• β: 102.09 ± 0.03°
• γ: 90°
• Cell volume: 1976.2 ± 0.7 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: 0.1686
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No