Information card for entry 1514400

Structure parameters

• Formula: C48 F40 N4 U
• Calculated formula: C48 F40 N4 U
• SMILES: [U]1234(N(c5c([F]1)c(F)c(F)c(F)c5F)c1c([F]2)c(F)c(F)c(F)c1F)(N(c1c([F]3)c(F)c(F)c(F)c1F)c1c([F]4)c(F)c(F)c(F)c1F)(N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)N(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 23.5319 ± 0.0008 Å
• b: 12.9011 ± 0.0005 Å
• c: 16.0719 ± 0.0006 Å
• α: 90°
• β: 106.846 ± 0.002°
• γ: 90°
• Cell volume: 4669.8 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• 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: 0.0204
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No