Information card for entry 7106666

Structure parameters

• Common name: ZIF-4
• Formula: C15 H19 N9 O Zn2
• Calculated formula: C15 H19 N9 O Zn2
• 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: 15.3486 ± 0.0014 Å
• b: 15.1069 ± 0.0017 Å
• c: 18.343 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4253.2 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 130 kPa
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.2249
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No