Information card for entry 4118892

Structure parameters

• Formula: C6.3 H6.6 N4 Zn
• Calculated formula: C6.3 H6.65 N4 Zn
• Title of publication: Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers
• Authors of publication: Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18790 - 18796
• a: 16.8303 ± 0.0002 Å
• b: 16.8303 ± 0.0002 Å
• c: 16.8303 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4767.33 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No