Information card for entry 4075870

Structure parameters

• Formula: C44 H59 B O U
• Calculated formula: C44 H59 B O U
• SMILES: [U]12345678([O]9CCCC9)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)C.[B-](C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl
• Authors of publication: Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3407
• a: 9.299 ± 0.002 Å
• b: 13.881 ± 0.004 Å
• c: 16.137 ± 0.004 Å
• α: 69.988 ± 0.005°
• β: 83.06 ± 0.005°
• γ: 74.169 ± 0.005°
• Cell volume: 1882.1 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No