Information card for entry 4105817

Structure parameters

• Formula: C576 H192 Cl24 Cu96 N24 O556 P4 W48
• Calculated formula: C576 H192 Cl24 Cu96 N24 O556 P4 W48
• Title of publication: A Sodalite-Type Porous Metal-Organic Framework with Polyoxometalate Templates: Adsorption and Decomposition of Dimethyl Methylphosphonate
• Authors of publication: Feng-Ji Ma; Shu-Xia Liu; Chun-Yan Sun; Da-Dong Liang; Guo-Jian Ren; Feng Wei; Ya-Guang Chen; Zhong-Min Su
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4178 - 4181
• a: 30.7887 ± 0.0008 Å
• b: 30.7887 ± 0.0008 Å
• c: 30.7887 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29186 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No