Information card for entry 4078491

Structure parameters

• Formula: C31 H58 B I3 Li N6 O4 U
• Calculated formula: C31 H58 B I3 Li N6 O4 U
• SMILES: [U]12(I)(I)(I)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O](CC)CC)[O](CC)CC
• Title of publication: Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes
• Authors of publication: Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4467
• a: 19.3062 ± 0.0007 Å
• b: 11.9134 ± 0.0006 Å
• c: 20.5103 ± 0.0007 Å
• α: 90°
• β: 112.352 ± 0.003°
• γ: 90°
• Cell volume: 4363 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.078
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No