Information card for entry 4107415

Structure parameters

• Formula: C75 H93 F3 N2 O7 P2 S U
• Calculated formula: C69 H63 F3 N2 O7 P2 S U
• SMILES: C1P(c2ccccc2)(c2ccccc2)=[O][U]2([N](c3c(cccc3C(C)C)C(C)C)=C(C=C(C)N2c2c(cccc2C(C)C)C(C)C)C)(=O)(=O)[O]=P1(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex
• Authors of publication: Trevor W. Hayton; Guang Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2005 - 2014
• a: 33.114 ± 0.005 Å
• b: 20.457 ± 0.003 Å
• c: 20.698 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14021 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No