Information card for entry 7109993

Structure parameters

• Common name: MTAF-4
• Formula: C108 H60 N36 O35 Zn18
• Calculated formula: C108 H60 N36 O35 Zn18
• Title of publication: Quest for a highly connected robust porous metal-organic framework on the basis of a bifunctional linear linker and a rare heptanuclear zinc cluster
• Authors of publication: Wen-Yang Gao; Rong Cai; Le Meng; Lukasz Wojtas; Wei Zhou; Taner Yildirim; Xiaodong Shi; Shengqian Ma
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10516
• a: 20.1753 ± 0.0004 Å
• b: 20.1753 ± 0.0004 Å
• c: 25.0329 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8824.3 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No