Information card for entry 2223390

Structure parameters

• Chemical name: 4,4'-Bipyridine–2,3,4,5,6-pentafluorobenzoic acid (1/2)
• Formula: C24 H10 F10 N2 O4
• Calculated formula: C24 H10 F10 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.Fc1c(F)c(C(=O)O)c(c(c1F)F)F.Fc1c(F)c(C(=O)O)c(c(c1F)F)F
• Title of publication: 4,4'-Bipyridine–2,3,4,5,6-pentafluorobenzoic acid (1/2)
• Authors of publication: Zhang, Xiangdong; Wang, Lijuan; Ge, Chunhua; Men, Yanmei; Zhang, Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2438
• a: 17.91 ± 0.003 Å
• b: 10.7016 ± 0.0019 Å
• c: 13.498 ± 0.003 Å
• α: 90°
• β: 119.631 ± 0.003°
• γ: 90°
• Cell volume: 2248.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes