Information card for entry 4088225

Structure parameters

• Formula: C29 H42 Cl N O2 U
• Calculated formula: C29 H42 Cl N O2 U
• SMILES: [U]123456789(Cl)([O]=C(O1)n1c(c(c(c1C)C)C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry
• Authors of publication: Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 520
• a: 8.4285 ± 0.0013 Å
• b: 10.3929 ± 0.0016 Å
• c: 17.363 ± 0.003 Å
• α: 94.9062 ± 0.0018°
• β: 95.2116 ± 0.0018°
• γ: 111.159 ± 0.0017°
• Cell volume: 1401 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No