Information card for entry 1547804

Structure parameters

• Common name: Zn2(pc-dobpdc)(DMA)2
• Formula: C22 H24 N2 O8 Zn2
• Calculated formula: C22 H24 N2 O8 Zn2
• Title of publication: Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc)
• Authors of publication: Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 36.5943 ± 0.0012 Å
• b: 36.5943 ± 0.0012 Å
• c: 6.7186 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7791.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No