Information card for entry 4129849

Structure parameters

• Formula: C6 H N0.33 O3.5 Zn0.58
• Calculated formula: C5.98333 H N0.333333 O3.5 Zn0.583333
• Title of publication: Polymer-Metal-Organic Frameworks (polyMOFs) as Water Tolerant Materials for Selective Carbon Dioxide Separations.
• Authors of publication: Zhang, Zhenjie; Nguyen, Ha Thi Hoang; Miller, Stephen A.; Ploskonka, Ann M.; DeCoste, Jared B.; Cohen, Seth M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 920 - 925
• a: 17.784 ± 0.004 Å
• b: 17.784 ± 0.004 Å
• c: 53.14 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14555 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No