Information card for entry 4080374

Structure parameters

• Formula: C48 H67 B N10 O2 U
• Calculated formula: C48 H67 B N10 O2 U
• SMILES: [U]123([O]4CCCC4)([n]4n(c(cc4C)C)[BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)(=Nc1c(cc(cc1C)C)C)N([N]3=Nc1c(cc(cc1C)C)C)Cc1ccccc1.O1CCCC1
• Title of publication: Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds
• Authors of publication: Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1484
• a: 10.8811 ± 0.0004 Å
• b: 22.5809 ± 0.0008 Å
• c: 20.1628 ± 0.0007 Å
• α: 90°
• β: 102.187 ± 0.003°
• γ: 90°
• Cell volume: 4842.5 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No