Information card for entry 4329727

Structure parameters

• Formula: C8 Na4 O10 S6 U
• Calculated formula: C8 Na4 O10 S6 U
• SMILES: [U]123(SS2)(SS1)(SS3)(=O)=O.[Na+].[Na+].[Na+].[Na+].CO.CO.CO.CO.CO.CO.CO.CO
• Title of publication: Synthesis of a Uranyl Persulfide Complex and Quantum Chemical Studies of Formation and Topologies of Hypothetical Uranyl Persulfide Cage Clusters
• Authors of publication: Daniel J. Grant; Zhehui Weng; Laurent J. Jouffret; Peter C. Burns; Laura Gagliardi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7801 - 7809
• a: 10.8617 ± 0.0015 Å
• b: 11.0392 ± 0.0016 Å
• c: 13.6334 ± 0.0019 Å
• α: 83.681 ± 0.002°
• β: 67.292 ± 0.001°
• γ: 67.3 ± 0.002°
• Cell volume: 1389.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No