Information card for entry 1514401

Structure parameters

• Formula: C48 H20 F20 N4 U
• Calculated formula: C48 H20 F20 N4 U
• SMILES: Fc1c(F)c2[F][U](N(c2c(c1F)F)c1ccccc1)(N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)(N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1)N(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1
• 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: 38.651 ± 0.003 Å
• b: 12.3736 ± 0.0009 Å
• c: 19.957 ± 0.0014 Å
• α: 90°
• β: 99.992 ± 0.003°
• γ: 90°
• Cell volume: 9399.7 ± 1.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0307
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No