Information card for entry 4331760

Structure parameters

• Formula: C29 H41 N2 O21.5 S3 U2
• Calculated formula: C29 H38 N2 O21.5 S3 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: 14.8569 ± 0.0007 Å
• b: 16.3899 ± 0.0007 Å
• c: 20.0779 ± 0.0008 Å
• α: 88.442 ± 0.003°
• β: 70.273 ± 0.002°
• γ: 66.815 ± 0.002°
• Cell volume: 4198.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No