Information card for entry 7118586

Structure parameters

• Common name: Zinc aminotriazolato oxalate
• Chemical name: Zinc aminotriazolato oxalate
• Formula: C6 H6 N8 O5 Zn2
• Calculated formula: C6 H6 N8 O5 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: 17.576 ± 0.004 Å
• b: 7.9026 ± 0.0016 Å
• c: 10.347 ± 0.002 Å
• α: 90°
• β: 100.213 ± 0.007°
• γ: 90°
• Cell volume: 1414.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.3081
• Weighted residual factors for all reflections included in the refinement: 0.3127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No