Information card for entry 1514402

Structure parameters

• Formula: C44 H16 F30 N3 O2 U
• Calculated formula: C44 H16 F30 N3 O2 U
• SMILES: [U]123([F]c4c(N2c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c4F)([F]c2c(N3c3c(F)c(F)c(F)c(F)c3[F]1)c(F)c(F)c(F)c2F)([O]1CCCC1)([O]1CCCC1)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: 11.0728 ± 0.0003 Å
• b: 11.7379 ± 0.0004 Å
• c: 20.3378 ± 0.0006 Å
• α: 79.419 ± 0.002°
• β: 80.189 ± 0.001°
• γ: 84.54 ± 0.002°
• Cell volume: 2554.81 ± 0.14 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No