Information card for entry 4346572

Structure parameters

• Formula: C16 H22 N14 O16 U2
• Calculated formula: C16 H22 N14 O16 U2
• SMILES: c1n(cc[n+]1C)CC.C1#[N][U]23(=O)(ON(=[O]3)=O)(ON(=[O]2)=O)(N=C=NC#[N][U]23(N=C=N1)(=O)(=O)([O]=N(=O)O2)ON(=[O]3)=O)=O.c1n(cc[n+]1C)CC
• 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: 10.7642 ± 0.0003 Å
• b: 14.3103 ± 0.0004 Å
• c: 10.9061 ± 0.0003 Å
• α: 90°
• β: 110.452 ± 0.001°
• γ: 90°
• Cell volume: 1574.07 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No