Information card for entry 4316516

Structure parameters

• Formula: C48 H30 N18 O9 S2 Zn5
• Calculated formula: C48 H28 N18 O9 S2 Zn5
• Title of publication: A Robust Highly Interpenetrated Metal-Organic Framework Constructed from Pentanuclear Clusters for Selective Sorption of Gas Molecules
• Authors of publication: Zhangjing Zhang; Shengchang Xiang; Yu-Sheng Chen; Shengqian Ma; Yongwoo Lee; Thomas Phely-Bobin; Banglin Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8444 - 8448
• a: 28.462 ± 0.003 Å
• b: 28.462 ± 0.003 Å
• c: 36.084 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29231 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No