Information card for entry 4126895

Structure parameters

• Formula: C13.6 H26.4 N4 O7.6 Zn
• Calculated formula: C8 H6 N4 O2 Zn
• Title of publication: Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.
• Authors of publication: Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 17.185 ± 0.002 Å
• b: 17.185 ± 0.002 Å
• c: 17.185 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5075.1 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 2110000 kPa
• Number of distinct elements: 5
• 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: 0.2977
• Residual factor for significantly intense reflections: 0.2869
• Weighted residual factors for all reflections: 0.6211
• Weighted residual factors for significantly intense reflections: 0.6229
• Weighted residual factors for all reflections included in the refinement: 0.6211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No