Information card for entry 7216549

Structure parameters

• Chemical name: C38H40N2O15S4U
• Formula: C38 H40 N2 O15 S4 U
• Calculated formula: C38 H40 N2 O15 S4 U
• SMILES: [U](OS(=O)(=O)c1ccc(cc1)C)(=O)(OS(=O)(=O)c1ccc(cc1)C)(OS(=O)(=O)c1ccc(cc1)C)(=O)(=O)OS(=O)(=O)c1ccc(cc1)C.[nH+]1ccccc1.[nH+]1ccccc1
• Title of publication: Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids
• Authors of publication: Smith, P. A.; Burns, P. C.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 7244
• a: 12.3917 ± 0.0015 Å
• b: 36.745 ± 0.004 Å
• c: 10.2457 ± 0.0012 Å
• α: 90°
• β: 112.19 ± 0.0013°
• γ: 90°
• Cell volume: 4319.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No