Information card for entry 4346575

Structure parameters

• Formula: C4 H14 N6 O18 S2 U2
• Calculated formula: C4 H14 N6 O18 S2 U2
• SMILES: C1(=[O][U]2(=O)(=O)(OS(=O)(=O)O[U]3(=O)(=O)(OS(=O)(=O)O2)([O]=C(N)NC(N)=[O]3)[OH2])([O]=C(N1)N)[OH2])N
• Title of publication: Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.
• Authors of publication: Kelley, Steven P.; Rogers, Robin D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10323 - 10334
• a: 7.9627 ± 0.0002 Å
• b: 10.9246 ± 0.0003 Å
• c: 10.912 ± 0.0003 Å
• α: 90°
• β: 90.037 ± 0.001°
• γ: 90°
• Cell volume: 949.23 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No