Information card for entry 4316754

Structure parameters

• Chemical name: 2,3,5,6-Tetrafluoro-benzoic acid
• Formula: C7 H2 F4 O2
• Calculated formula: C7 H2 F4 O2
• Title of publication: Optimized Synthesis of Tetrafluoroterephthalic Acid: A Versatile Linking Ligand for the Construction of New Coordination Polymers and Metal-Organic Frameworks
• Authors of publication: Andreas Orthaber; Christiane Seidel; Ferdinand Belaj; Jörg H. Albering; Rudolf Pietschnig; Uwe Ruschewitz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9350 - 9357
• a: 10.1937 ± 0.0015 Å
• b: 12.89 ± 0.003 Å
• c: 20.425 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2683.8 ± 0.9 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No