Information card for entry 4087520

Structure parameters

• Formula: C44 H60 U
• Calculated formula: C44 H60 U
• SMILES: [U](Cc1ccc(cc1)C(C)(C)C)(Cc1ccc(cc1)C(C)(C)C)(Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(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: 16.3339 ± 0.0006 Å
• b: 16.3339 ± 0.0006 Å
• c: 7.254 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.34 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No