Information card for entry 4316752

Structure parameters

• Common name: Tetrafluoroterephthalic acid
• Chemical name: 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid
• Formula: C8 H6 F4 O6
• Calculated formula: C8 H6 F4 O6
• SMILES: c1(c(c(F)c(c(c1F)F)C(=O)O)F)C(=O)O.O.O
• 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: 8.5206 ± 0.0015 Å
• b: 7.991 ± 0.0008 Å
• c: 7.2845 ± 0.0014 Å
• α: 90°
• β: 99.739 ± 0.015°
• γ: 90°
• Cell volume: 488.84 ± 0.14 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No