Information card for entry 4108345

Structure parameters

• Formula: C82 H114 N3 O4 U
• Calculated formula: C82 H114 N3 O4 U
• SMILES: [U]12345(Oc6c(C[N]73CC[N]4(CC[N]5(CC7)Cc3c(O2)c(cc(c3)C(C)(C)C)C23CC4CC(C2)CC(C3)C4)Cc2c(O1)c(cc(c2)C(C)(C)C)C12CC3CC(C1)CC(C2)C3)cc(cc6C12CC3CC(C1)CC(C2)C3)C(C)(C)C)=O.c1ccccc1C.CCCCC.c1ccccc1C
• 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: 16.902 ± 0.003 Å
• b: 24.544 ± 0.003 Å
• c: 18.305 ± 0.002 Å
• α: 90°
• β: 107.196 ± 0.011°
• γ: 90°
• Cell volume: 7254.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1231
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No