Information card for entry 1548415

Structure parameters

• Formula: C12 H12 Ag2 F4 N2 O4
• Calculated formula: C12 H12 Ag2 F4 N2 O4
• Title of publication: Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls
• Authors of publication: Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer
• Journal of publication: Philosophical Transactions of the Royal Society A
• Year of publication: 2017
• Journal volume: 375
• Pages of publication: 1 - 16
• a: 10.5304 ± 0.001 Å
• b: 5.6409 ± 0.0005 Å
• c: 12.1404 ± 0.001 Å
• α: 90°
• β: 90.863 ± 0.006°
• γ: 90°
• Cell volume: 721.07 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No