Information card for entry 4317360

Structure parameters

• Formula: C54 H36 N6 O13 Zn4
• Calculated formula: C54 H36 N6 O13 Zn4
• Title of publication: Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis
• Authors of publication: Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11637 - 11642
• a: 27.3 ± 0.02 Å
• b: 27.3 ± 0.02 Å
• c: 27.3 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20346 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2763
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2108
• 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: Yes
• Has Fobs: No