Information card for entry 4306826

Structure parameters

• Formula: C20 H16 N O5 Zn
• Calculated formula: C20 H16 N O5 Zn
• Title of publication: An Example of Node-Based Postassembly Elaboration of a Hydrogen-Sorbing, Metal-Organic Framework Material
• Authors of publication: Omar K. Farha; Karen L. Mulfort; Joseph T. Hupp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10223 - 10225
• a: 21.6546 ± 0.0016 Å
• b: 30.901 ± 0.002 Å
• c: 9.2945 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6219.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.253
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No