Information card for entry 4087516

Structure parameters

• Formula: C24 H24 N4 U
• Calculated formula: C24 H24 N4 U
• SMILES: [U]1234([n]5c(C1)cccc5)([n]1ccccc1C3)([n]1c(C2)cccc1)[n]1c(C4)cccc1
• 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: 8.8545 ± 0.0001 Å
• b: 26.641 ± 0.0005 Å
• c: 10.0542 ± 0.0002 Å
• α: 90°
• β: 113.643 ± 0.001°
• γ: 90°
• Cell volume: 2172.64 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No