Information card for entry 4080372

Structure parameters

• Formula: C33 H44 B N6 O U
• Calculated formula: C33 H44 B N6 O U
• SMILES: [U]12([O]3CCCC3)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(Cc1ccccc1)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: 28.1568 ± 0.0011 Å
• b: 40.7185 ± 0.0018 Å
• c: 11.4426 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13119 ± 0.9 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No