Information card for entry 4105428

Structure parameters

• Formula: C94 H85 B2 Cl2 Co F30 N O4 U
• Calculated formula: C93 H71 B2 Cl2 Co F30 N O4 U
• 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: 13.443 ± 0.002 Å
• b: 16.074 ± 0.002 Å
• c: 21.5 ± 0.003 Å
• α: 100.01 ± 0.002°
• β: 97.933 ± 0.002°
• γ: 91.626 ± 0.002°
• Cell volume: 4524.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No