Information card for entry 4340568

Structure parameters

• Formula: C80 Cs48 N80 O40 S80 U16
• Calculated formula: C80 Cs48 N80 O40 S80 U16
• Title of publication: Thiocyanate complexes of uranium in multiple oxidation States: a combined structural, magnetic, spectroscopic, spectroelectrochemical, and theoretical study.
• Authors of publication: Hashem, Emtithal; Platts, James A.; Hartl, František; Lorusso, Giulia; Evangelisti, Marco; Schulzke, Carola; Baker, Robert J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8624 - 8637
• a: 19.669 ± 0.004 Å
• b: 17.792 ± 0.004 Å
• c: 23.396 ± 0.005 Å
• α: 90°
• β: 99.65 ± 0.03°
• γ: 90°
• Cell volume: 8072 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No