Information card for entry 7059179

Structure parameters

• Formula: C11 H9 N3 O8 Zn2
• Calculated formula: C11 H5 N3 O8 Zn2
• Title of publication: Combined experimental and computational studies on preferential CO2 adsorption over a zinc-based porous framework solid
• Authors of publication: Saha, Debraj; Gayen, Saikat; Maity, Tanmoy; Frontera, Antonio; Ortega-Castro, Joaquín; Leus, Karen; Wang, Guangbo; Van Der Voort, Pascal; Brandão, Paula; Koner, Subratanath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 1806 - 1816
• a: 22.8941 ± 0.0017 Å
• b: 11.221 ± 0.0007 Å
• c: 16.7025 ± 0.0011 Å
• α: 90°
• β: 127.37 ± 0.003°
• γ: 90°
• Cell volume: 3410 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No