Information card for entry 7131526

Structure parameters

• Chemical name: Zinc Aminotriazolato Acetate Hydroxide
• Formula: C6 H9 N8 O3 Zn2
• Calculated formula: C6 H9 N8 O3 Zn2
• Title of publication: Preferential CO₂ adsorption by an ultra-microporous zinc-aminotriazolato-acetate MOF.
• Authors of publication: Singh, Piyush; Singh, Himan Dev; Menon, Abhijith Hari; Vaidhyanathan, Ramanathan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 37
• Pages of publication: 5559 - 5562
• a: 9.711 ± 0.0009 Å
• b: 16.129 ± 0.0015 Å
• c: 9.7091 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No