Information card for entry 4350376

Structure parameters

• Formula: C75 H66 B2 F10 O6 P6 U
• Calculated formula: C75 H66 B2 F10 O6 P6 U
• SMILES: [U]123(F)([O]=P(c4ccccc4)(c4ccccc4)CP(=[O]1)(c1ccccc1)c1ccccc1)(F)([O]=P(c1ccccc1)(c1ccccc1)CP(=[O]2)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)CP(=[O]3)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 28.0336 ± 0.0012 Å
• b: 15.4822 ± 0.0007 Å
• c: 18.0718 ± 0.0008 Å
• α: 90°
• β: 107.83 ± 0.001°
• γ: 90°
• Cell volume: 7466.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No