Information card for entry 4132805

Structure parameters

• Formula: C12.5 H10.5 N5.5 O5.5 Zn
• Calculated formula: C11 H7 N5 O5 Zn
• Title of publication: Chiroptical Activity from an Achiral Biological Metal-Organic Framework.
• Authors of publication: Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 37
• Pages of publication: 11569 - 11572
• a: 15.6389 ± 0.0003 Å
• b: 15.6389 Å
• c: 13.9429 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3410.09 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No