Information card for entry 1548413

Structure parameters

• Formula: C109 H96 Ag16 F32 N16 O45
• Calculated formula: C109 H96 Ag16 F32 N16 O45
• 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: 50.0474 ± 0.0006 Å
• b: 50.0474 ± 0.0006 Å
• c: 32.7348 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 71007.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No