Information card for entry 7106661

Structure parameters

• Formula: C30 H38 N18 O2 Zn4
• Calculated formula: C30 H38 N18 O2 Zn4
• Title of publication: Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
• Authors of publication: Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7983
• a: 17.563 ± 0.008 Å
• b: 13.825 ± 0.008 Å
• c: 13.882 ± 0.008 Å
• α: 90°
• β: 102.36 ± 0.05°
• γ: 90°
• Cell volume: 3293 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections: 0.3254
• Weighted residual factors for significantly intense reflections: 0.2994
• Weighted residual factors for all reflections included in the refinement: 0.3254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0606
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No