Information card for entry 2222651

Structure parameters

• Chemical name: 2,3,4,5-Tetrafluorobenzoic acid–4,4'-bipyridine (2/1)
• Formula: C24 H12 F8 N2 O4
• Calculated formula: C24 H12 F8 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)c1cc(F)c(c(c1F)F)F.OC(=O)c1cc(F)c(c(c1F)F)F
• Title of publication: 2,3,4,5-Tetrafluorobenzoic acid–4,4'-bipyridine (2/1)
• Authors of publication: Zhu, Xiaohui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1886
• a: 6.6517 ± 0.0007 Å
• b: 8.3419 ± 0.0014 Å
• c: 19.531 ± 0.0011 Å
• α: 90°
• β: 93.181 ± 0.002°
• γ: 90°
• Cell volume: 1082.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1232
• 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: Yes