Information card for entry 4126287

Structure parameters

• Common name: Zn2(dobpdc)(e-2-e)1.26
• Formula: C21.56 H26.16 N2.52 O6 Zn2
• Calculated formula: C21.536 H26.068 N3.256 O6 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: 21.7573 ± 0.0008 Å
• b: 21.7573 ± 0.0008 Å
• c: 6.9089 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2832.37 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0496
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No