Information card for entry 7104703

Structure parameters

• Common name: Zinc-triazolato-oxalate
• Formula: C6 H7 N8 O4.5 Zn2
• Calculated formula: C6 H5 N8 O4.5 Zn2
• Title of publication: An amine-functionalized metal organic framework for preferential CO(2) adsorption at low pressures.
• Authors of publication: Vaidhyanathan, Ramanathan; Iremonger, Simon S; Dawson, Karl W; Shimizu, George K H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 35
• Pages of publication: 5230 - 5232
• a: 13.838 ± 0.003 Å
• b: 12.784 ± 0.003 Å
• c: 16.885 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2987 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No