Information card for entry 4126284

Structure parameters

• Common name: Zn2(dobpdc)(mm-2)1.83
• Formula: C21.32 H27.96 N3.66 O6 Zn2
• Calculated formula: C21.28 H27.84 N3.82 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: 21.4759 ± 0.0011 Å
• b: 21.4759 ± 0.0011 Å
• c: 6.8613 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2740.6 ± 0.3 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: 0.0482
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No