Information card for entry 4080366

Structure parameters

• Formula: C66 H111 Li N2 O9 U
• Calculated formula: C66 H111 Li N2 O9 U
• SMILES: [U]12([O]3c4c(N1c1c(cccc1C(C)C)C(C)C)cc(cc4C(c1cc(cc(N2c2c(cccc2C(C)C)C(C)C)c31)C(C)(C)C)(C)C)C(C)(C)C)(C)(C)C.[O]1(C)[Li]23([O](CC1)C)([O](C)CC[O]2C)[O](C)CC[O]3C.O(C)CCOC
• Title of publication: Uranium(IV) Alkyl Complexes of a Rigid Dianionic NON-Donor Ligand: Synthesis and Quantitative Alkyl Exchange Reactions with Alkyllithium Reagents
• Authors of publication: Andreychuk, Nicholas R.; Ilango, Sougandi; Vidjayacoumar, Balamurugan; Emslie, David J. H.; Jenkins, Hilary A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1466
• a: 14.259 ± 0.004 Å
• b: 14.344 ± 0.004 Å
• c: 17.959 ± 0.005 Å
• α: 76.978 ± 0.005°
• β: 81.499 ± 0.005°
• γ: 83.966 ± 0.006°
• Cell volume: 3529.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No