Information card for entry 7237914

Structure parameters

• Formula: C32 H16 N2 O16 Zr3
• Calculated formula: C32 H16 N2 O16 Zr3
• Title of publication: Pyrazinyl-functionalized Zr(iv)-MOF for ultrasensitive detection of tyrosine/TNP and efficient CO2/N2 separation
• Authors of publication: Liu, Jin-Min; Hou, Jin-Xin; Liu, Jie; Jing, Xu; Li, Li-Jun; Du, Jian-Long
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 38
• Pages of publication: 11851
• a: 15.1821 ± 0.0007 Å
• b: 15.1821 ± 0.0007 Å
• c: 60.416 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13925.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No