Information card for entry 4114529

Structure parameters

• Formula: C61 H98 N3 O3 U
• Calculated formula: C61 H98 N3 O3 U
• SMILES: [U]12345Oc6c(C[N]75CC[N]4(CC[N]3(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.C1CCCC1.C1CCCC1
• Title of publication: Evidence for Alkane Coordination to an Electron-Rich Uranium Center
• Authors of publication: Ingrid Castro-Rodriguez; Hidetaka Nakai; Peter Gantzel; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15734 - 15735
• a: 19.429 ± 0.003 Å
• b: 14.987 ± 0.003 Å
• c: 20.48 ± 0.004 Å
• α: 90°
• β: 90 ± 0.003°
• γ: 90°
• Cell volume: 5963.4 ± 1.9 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: 0.0666
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No