Information card for entry 4120589

Structure parameters

• Formula: C48 H27 N0 O16 Zn4
• Calculated formula: C48 H27 O16 Zn4
• Title of publication: A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis.
• Authors of publication: Mo, Ke; Yang, Yuhua; Cui, Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1746 - 1749
• a: 28.867 ± 0.0001 Å
• b: 28.867 ± 0.0001 Å
• c: 28.867 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24055 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No