Information card for entry 4501639

Structure parameters

• Formula: C11 H18 N12 O10 S Zn3
• Calculated formula: C11 H12 N12 O10 S Zn3
• Title of publication: A Rare Uninodal 9-Connected Metal−Organic Framework with Permanent Porosity
• Authors of publication: Zhang, Zhangjing; Xiang, Shengchang; Zheng, Qian; Rao, Xingtang; Mondal, Jalal U.; Arman, Hadi D.; Qian, Guodong; Chen, Banglin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2372
• a: 16.1397 ± 0.0014 Å
• b: 8.7667 ± 0.0005 Å
• c: 16.9326 ± 0.0015 Å
• α: 90°
• β: 107.818 ± 0.005°
• γ: 90°
• Cell volume: 2280.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No