Information card for entry 1571273

Structure parameters

• Formula: C17 H8 F6 O4 Zn
• Calculated formula: C17 H8 F6 O4 Zn
• Title of publication: Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.
• Authors of publication: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 5964 - 5972
• a: 21.2057 ± 0.0007 Å
• b: 21.2057 ± 0.0007 Å
• c: 7.6878 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2993.9 ± 0.16 ų
• Cell temperature: 249.99 ± 0.1 K
• Ambient diffraction temperature: 249.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No