Information card for entry 4350377

Structure parameters

• Formula: C80 H82 B2 Cl4 F10 O10 P6 U2
• Calculated formula: C80 H82 B2 Cl4 F10 O10 P6 U2
• SMILES: [B](F)(F)(F)[F-].CP(=[O][U]1([O]=P(C)(c2ccccc2)c2ccccc2)([O]=P(C)(c2ccccc2)c2ccccc2)(=O)(=O)[F][U]([F]1)([O]=P(C)(c1ccccc1)c1ccccc1)([O]=P(C)(c1ccccc1)c1ccccc1)([O]=P(C)(c1ccccc1)c1ccccc1)(=O)=O)(c1ccccc1)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Fluoride abstraction and reversible photochemical reduction of cationic uranyl(VI) phosphine oxide complexes.
• Authors of publication: Kannan, Shanmugaperumal; Moody, Morgan A.; Barnes, Charles L.; Duval, Paul B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9206 - 9212
• a: 13.5921 ± 0.0003 Å
• b: 23.736 ± 0.0006 Å
• c: 13.6304 ± 0.0003 Å
• α: 90°
• β: 93.85°
• γ: 90°
• Cell volume: 4387.54 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No