Information card for entry 7112523

Structure parameters

• Formula: C22 H25 N O9 Zn2
• Calculated formula: C22 H25 N O9 Zn2
• Title of publication: Enantioselective sorption of alcohols in a homochiral metal-organic framework.
• Authors of publication: Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 513 - 515
• a: 10.337 ± 0.002 Å
• b: 11.649 ± 0.002 Å
• c: 20.464 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2464.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: SynchrotronatPohangAcceleratorLaboratory
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No