Information card for entry 2017505

Structure parameters

• Chemical name: Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^5^)dioxidouranium(VI) dihydrate
• Formula: C9 H12 I N O11 S U
• Calculated formula: C9 H14 I N O11 S U
• SMILES: [U]1(=O)([OH2])([OH2])([OH2])(Oc2c(I)cc(S(=O)(=O)[O-])c3ccc[n]1c23)=O.O.O
• Title of publication: Triaqua(μ-7-iodo-8-oxidoquinoline-5-sulfonato-κ^2^<i>N</i>,<i>O</i>^8^)dioxidouranium(VI) dihydrate
• Authors of publication: Sasikumar, Pandian; Muthiah, Packianathan Thomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m48 - m50
• a: 8.3742 ± 0.0002 Å
• b: 10.1785 ± 0.0002 Å
• c: 11.6146 ± 0.0002 Å
• α: 74.958 ± 0.001°
• β: 84.717 ± 0.001°
• γ: 66.701 ± 0.001°
• Cell volume: 878.04 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes