Information card for entry 4105860

Structure parameters

• Formula: C36.53 H50.53 B2 I0.07 N12 U
• Calculated formula: C36.531 H50.531 B2 I0.067 N12 U
• Title of publication: Functionalization of Carbon Dioxide and Carbon Disulfide Using a Stable Uranium(III) Alkyl Complex
• Authors of publication: Ellen M. Matson; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4948 - 4954
• a: 10.8142 ± 0.001 Å
• b: 11.3685 ± 0.0011 Å
• c: 16.6972 ± 0.0015 Å
• α: 80.403 ± 0.007°
• β: 76.877 ± 0.008°
• γ: 89.887 ± 0.01°
• Cell volume: 1969.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No