Information card for entry 4316753

Structure parameters

• Common name: Diammonium-2,3,5,6-tetrafluoroterephthalate
• Formula: C8 H8 F4 N2 O4
• Calculated formula: C8 H8 F4 N2 O4
• SMILES: c1(C(=O)[O-])c(F)c(c(C(=O)[O-])c(c1F)F)F.[NH4+].[NH4+]
• 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: 6.632 ± 0.002 Å
• b: 19.771 ± 0.006 Å
• c: 3.7145 ± 0.0011 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 486.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No