Information card for entry 1514403

Structure parameters

• Formula: C88.5 H66 F18 N3 O2 P2 U
• Calculated formula: C88.5 H66 F18 N3 O2 P2 U
• SMILES: FC(c1cc(cc(c1)C(F)(F)F)N([U](N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)(N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(F)F.Cc1ccccc1.Cc1ccccc1
• 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: 13.4814 ± 0.0008 Å
• b: 16.1925 ± 0.001 Å
• c: 19.0979 ± 0.0011 Å
• α: 76.559 ± 0.003°
• β: 87.948 ± 0.003°
• γ: 84.674 ± 0.003°
• Cell volume: 4036.9 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No