Information card for entry 4331748

Structure parameters

• Formula: C18 H16 N2 O16 S2 U2
• Calculated formula: C18 H16 N2 O16 S2 U2
• Title of publication: Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate
• Authors of publication: Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 435 - 447
• a: 7.8894 ± 0.0004 Å
• b: 12.0629 ± 0.0004 Å
• c: 13.3182 ± 0.0007 Å
• α: 90°
• β: 94.573 ± 0.003°
• γ: 90°
• Cell volume: 1263.45 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No