Information card for entry 1514404

Structure parameters

• Formula: C14 H9 F6 N
• Calculated formula: C14 H9 F6 N
• SMILES: FC(c1cc(Nc2ccccc2)cc(c1)C(F)(F)F)(F)F
• Title of publication: Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions
• Authors of publication: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 798
• a: 10.0174 ± 0.0007 Å
• b: 15.9406 ± 0.0012 Å
• c: 7.9776 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.89 ± 0.16 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No