Information card for entry 4331770

Structure parameters

• Formula: C36 H30 Cu2 N4 O28 S4 U2
• Calculated formula: C36 H30 Cu2 N4 O28 S4 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: 9.0904 ± 0.0005 Å
• b: 11.3426 ± 0.0007 Å
• c: 13.3583 ± 0.0007 Å
• α: 73.018 ± 0.003°
• β: 78.884 ± 0.003°
• γ: 67.506 ± 0.002°
• Cell volume: 1211.95 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0339
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No