Information card for entry 4132806

Structure parameters

• Formula: C11 H9 N6 O5.5 Zn
• Calculated formula: C11 H9 N6 O5.5 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: 15.0337 ± 0.0001 Å
• b: 15.0402 ± 0.0001 Å
• c: 25.0437 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5662.63 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No