Information card for entry 4087518

Structure parameters

• Formula: C40 H52 U
• Calculated formula: C40 H52 U
• SMILES: [U](Cc1ccc(C(C)C)cc1)(Cc1ccc(cc1)C(C)C)(Cc1ccc(cc1)C(C)C)Cc1ccc(cc1)C(C)C
• Title of publication: New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives
• Authors of publication: Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2889
• a: 13.7754 ± 0.0004 Å
• b: 13.7754 ± 0.0004 Å
• c: 9.2246 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.48 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No