Information card for entry 7106665

Structure parameters

• Common name: ZIF-4
• 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: 17.608 ± 0.005 Å
• b: 14.411 ± 0.005 Å
• c: 14.703 ± 0.005 Å
• α: 90°
• β: 100.9 ± 0.02°
• γ: 90°
• Cell volume: 3664 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 990 kPa
• 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: 0.1609
• Residual factor for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections: 0.3074
• Weighted residual factors for significantly intense reflections: 0.2972
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0741
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No