Information card for entry 4105430

Structure parameters

• Formula: C56 H54 B F15 N2 O2.5
• Calculated formula: C56 H50 B F15 N2 O2.5
• Title of publication: Reduction of Pentavalent Uranyl to U(IV) Facilitated by Oxo Functionalization
• Authors of publication: David D. Schnaars; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17532 - 17533
• a: 23.4675 ± 0.0019 Å
• b: 21.2867 ± 0.0016 Å
• c: 21.1016 ± 0.0018 Å
• α: 90°
• β: 104.552 ± 0.003°
• γ: 90°
• Cell volume: 10203.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1347
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No