Information card for entry 4502569

Structure parameters

• Formula: C21 H14 O9 S3 U
• Calculated formula: C21 H14 O9 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: 27.4012 ± 0.0012 Å
• b: 27.4012 ± 0.0012 Å
• c: 17.2577 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11221.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No