Information card for entry 7033344

Structure parameters

• Formula: C52 H68 I N5 U
• Calculated formula: C52 H68 I N5 U
• SMILES: [U]1(I)(N=C(c2c(cc(cc2C)C)C)C(C)(C)C)(N=C(c2c(cc(cc2C)C)C)C(C)(C)C)([n]2ccccc2c2[n]1cccc2)N=C(c1c(C)cc(cc1C)C)C(C)(C)C
• Title of publication: Radical anionic versus neutral 2,2'-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands.
• Authors of publication: Diaconescu, Paula L.; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2676 - 2683
• a: 12.987 ± 0.003 Å
• b: 21.245 ± 0.004 Å
• c: 19.761 ± 0.004 Å
• α: 90°
• β: 97.038 ± 0.003°
• γ: 90°
• Cell volume: 5411.2 ± 1.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No