Information card for entry 4108346

Structure parameters

• Formula: C66 H114 N3 O4 U
• Calculated formula: C66 H78 N3 O4 U
• Title of publication: Carbon Dioxide Activation with Sterically Pressured Mid- and High-Valent Uranium Complexes
• Authors of publication: Suzanne C. Bart; Christian Anthon; Frank W. Heinemann; Eckhard Bill; Norman M. Edelstein; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12536 - 12546
• a: 14.841 ± 0.002 Å
• b: 14.841 ± 0.002 Å
• c: 15.8111 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3015.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No