Information card for entry 7118587

Structure parameters

• Common name: Zinc aminotriazolato oxalate
• Chemical name: Zinc aminotriazolato oxalate
• Formula: C9 H14 N8 O5 Zn2
• Calculated formula: C9 H14 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: 9.1877 ± 0.0004 Å
• b: 13.6108 ± 0.0006 Å
• c: 12.5305 ± 0.0005 Å
• α: 90°
• β: 104.629 ± 0.001°
• γ: 90°
• Cell volume: 1516.16 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No