Information card for entry 4108350

Structure parameters

• Formula: C69 H110 N4 O7 U
• Calculated formula: C69 H110 N4 O7 U
• SMILES: [U]12345(Oc6c(C[N]73CC[N]4(CC[N]5(CC7)Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc6C(C)(C)C)C(C)(C)C)OC(=O)Nc1c(cc(cc1C)C)C.CCOCC.CCOCC
• 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: 15.342 ± 0.002 Å
• b: 17.744 ± 0.001 Å
• c: 26.201 ± 0.003 Å
• α: 90°
• β: 94.49 ± 0.02°
• γ: 90°
• Cell volume: 7110.8 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No