Information card for entry 7239544

Structure parameters

• Formula: C11 H5 N0.5 O3 Zn0.75
• Calculated formula: C11 H5 N0.5 O3 Zn0.75
• Title of publication: Sorption behaviour in a unique 3,12-connected zinc‒organic framework with 2.4 nm cages
• Authors of publication: Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Pan, Jie; Zhang, Linjie; Li, Xingjun; Yuan, Daqiang; Hong, Maochun
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 36
• Pages of publication: 10631
• a: 27.3685 ± 0.0002 Å
• b: 27.3685 ± 0.0002 Å
• c: 27.3685 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20500 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No