Information card for entry 4088228

Structure parameters

• Formula: C34 H62 Cl2 N U
• Calculated formula: C34 H62 Cl2 N U
• SMILES: [U]12345678(Cl)(Cl)([c]9([c]6([c]7([c]1([cH]29)C)C)C)C)[c]1([c]3([c]8([c]4([cH]51)C)C)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 22.7263 ± 0.0018 Å
• b: 12.3259 ± 0.001 Å
• c: 25.706 ± 0.002 Å
• α: 90°
• β: 97.0365 ± 0.001°
• γ: 90°
• Cell volume: 7146.6 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No