Information card for entry 4127847

Structure parameters

• Common name: Zn2(dobpdc)(2-ampd)1.76(C7H8)0.79
• Formula: C30.09 H36.96 N3.52 O6 Zn2
• Calculated formula: C30.069 H39.297 N3.76 O6 Zn2
• Title of publication: Water Enables Efficient CO₂ Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.
• Authors of publication: Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13171 - 13186
• a: 21.4691 ± 0.0005 Å
• b: 21.4691 ± 0.0005 Å
• c: 6.848 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2733.52 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No