Information card for entry 4080274

Structure parameters

• Formula: C61 H91 Li N4 O Si U
• Calculated formula: C61 H91 Li N4 O Si U
• SMILES: [U]1(N([Si](C)(C)C)[Li]([N]1(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3)[O](CC)CC)(N(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3)N(c1cc(cc(c1)C)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes
• Authors of publication: Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1341
• a: 22.2766 ± 0.0014 Å
• b: 12.6684 ± 0.0008 Å
• c: 22.433 ± 0.0015 Å
• α: 90°
• β: 116.406 ± 0.001°
• γ: 90°
• Cell volume: 5670.3 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No