Information card for entry 7021873

Structure parameters

• Formula: C14 H10 F6 N2 O2
• Calculated formula: C14 H10 F6 N2 O2
• SMILES: FC(c1cc(C)n(c(c1)c1cc(cc(C)n1=O)C(F)(F)F)=O)(F)F
• Title of publication: 4,4'-Bis(trifluoromethyl)-2,2'-bipyridine - a multipurpose ligand scaffold for lanthanoid-based luminescence/(19)F NMR probes.
• Authors of publication: Güden-Silber, Tuba; Klein, Kathrin; Seitz, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13882 - 13888
• a: 11.873 ± 0.005 Å
• b: 11.873 ± 0.005 Å
• c: 9.961 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No