Information card for entry 4126286

Structure parameters

• Common name: Zn2(dobpdc)(e-2-e-CO2)(e-2-e)
• Formula: C27 H38 N4 O8 Zn2
• Calculated formula: C21 H22 N2 O9 Zn2
• Title of publication: Controlling Cooperative CO2 Adsorption in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks.
• Authors of publication: Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.; Martell, Jeffrey; Milner, Phillip J.; Mason, Jarad A.; Berger, Adam H.; Bhown, Abhoyjit S.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 21.6857 ± 0.0008 Å
• b: 21.6857 ± 0.0008 Å
• c: 6.8891 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2805.69 ± 0.19 ų
• Cell temperature: 195 K
• Ambient diffraction temperature: 195 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No