Information card for entry 4080375

Structure parameters

• Formula: C35 H48 B N7 O U
• Calculated formula: C35 H48 B N7 O U
• SMILES: [U]12([O]3CCCC3)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(=Nc1c(cc(cc1C)C)C)Cc1ccccc1
• 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: 10.9314 ± 0.0007 Å
• b: 14.5626 ± 0.0014 Å
• c: 14.7879 ± 0.0009 Å
• α: 63.69 ± 0.005°
• β: 74.055 ± 0.006°
• γ: 75.903 ± 0.007°
• Cell volume: 2008.7 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No