Information card for entry 7118590

Structure parameters

• Common name: Zinc aminotriazolato oxalate
• Chemical name: Zinc aminotriazolato oxalate
• Formula: C6 H5 N8 O4 Zn2
• Calculated formula: C6 H5 N8 O4 Zn2
• Title of publication: Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars.
• Authors of publication: Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 1851 - 1854
• a: 8.9818 ± 0.001 Å
• b: 13.8656 ± 0.0013 Å
• c: 12.4104 ± 0.0012 Å
• α: 90°
• β: 105.36 ± 0.005°
• γ: 90°
• Cell volume: 1490.4 ± 0.3 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: 0.0979
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No