Information card for entry 4126641

Structure parameters

• Common name: Zn2(dobpdc)(dach-CO2)2
• Formula: C28 H34 N4 O10 Zn2
• Calculated formula: C28 H34 N4 O10 Zn2
• Title of publication: Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.
• Authors of publication: Martell, Jeffrey D.; Porter-Zasada, Leo B; Forse, Alexander C.; Siegelman, Rebecca L.; Gonzalez, Miguel I.; Oktawiec, Julia; Runcevski, Tomce; Xu, Jiawei; Srebro-Hooper, Monika; Milner, Phillip J.; Colwell, Kristen A.; Autschbach, Jochen; Reimer, Jeffrey A.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 20.6012 ± 0.0007 Å
• b: 20.6012 ± 0.0007 Å
• c: 6.8939 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2533.85 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0617
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No