Information card for entry 4080272

Structure parameters

• Formula: C59 H84 I N3 U
• Calculated formula: C59 H84 I N3 U
• SMILES: [U](N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3)(I)(N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3)N(c1cc(cc(c1)C)C)C12CC3CC(C2)CC(C1)C3.C(CCC)C
• 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: 11.0165 ± 0.0002 Å
• b: 12.4826 ± 0.0003 Å
• c: 22.6984 ± 0.0006 Å
• α: 79.215 ± 0.001°
• β: 78.35°
• γ: 64.907 ± 0.001°
• Cell volume: 2750.35 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No