Information card for entry 4328493

Structure parameters

• Formula: C102 H135 N6 Na S3 U2
• Calculated formula: C102 H135 N6 Na S3 U2
• SMILES: [U]123([S]4([U]([S]1c1ccccc1)([S]2c1ccccc1)([N]([Na]4[N]3=C(c1c(cc(cc1C)C)C)C(C)(C)C)=C(c1c(cc(cc1C)C)C)C(C)(C)C)(N=C(c1c(cc(cc1C)C)C)C(C)(C)C)N=C(c1c(cc(cc1C)C)C)C(C)(C)C)c1ccccc1)(N=C(c1c(cc(cc1C)C)C)C(C)(C)C)N=C(c1c(cc(cc1C)C)C)C(C)(C)C
• Title of publication: μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge
• Authors of publication: Paula L. Diaconescu; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2902 - 2916
• a: 14.1784 ± 0.001 Å
• b: 15.5376 ± 0.001 Å
• c: 26.3282 ± 0.0018 Å
• α: 96.588 ± 0.001°
• β: 98.093 ± 0.001°
• γ: 114.213 ± 0.001°
• Cell volume: 5140.7 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No