Information card for entry 4502570

Structure parameters

• Formula: C21 H13 O8 S3 U
• Calculated formula: C21 H13 O8 S3 U
• Title of publication: Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly
• Authors of publication: Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1390
• a: 21.829 ± 0.0011 Å
• b: 9.9841 ± 0.0005 Å
• c: 21.7784 ± 0.0011 Å
• α: 90°
• β: 112.214 ± 0.001°
• γ: 90°
• Cell volume: 4394.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No