Information card for entry 4310179

Structure parameters

• Formula: C36 H56 Cl4 N2 O4 S2 U
• Calculated formula: C36 H54.8 Cl4 N2 O4 S2 U
• Title of publication: Synthesis and Structural Characterization of a Uranyl(VI) Complex Possessing Unsupported Unidentate Thiolate Ligands
• Authors of publication: Shanmugaperumal Kannan; Charles L. Barnes; Paul B. Duval
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9137 - 9139
• a: 16.8244 ± 0.0014 Å
• b: 15.2484 ± 0.0012 Å
• c: 17.1435 ± 0.0014 Å
• α: 90°
• β: 98.75 ± 0.001°
• γ: 90°
• Cell volume: 4346.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No