Information card for entry 4333577

Structure parameters

• Formula: C48 H22 O15 Zn4
• Calculated formula: C48 H22 O15 Zn4
• Title of publication: A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties
• Authors of publication: Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 855 - 862
• a: 30.367 ± 0.004 Å
• b: 30.367 ± 0.004 Å
• c: 30.367 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28003 ± 6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.3371
• Residual factor for significantly intense reflections: 0.1522
• Weighted residual factors for significantly intense reflections: 0.2976
• Weighted residual factors for all reflections included in the refinement: 0.3617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No