Information card for entry 4340567

Structure parameters

• Chemical name: tetrabutylammonium octakis(thiocyanato-N)uranate(IV)
• Formula: C76 H150 N14 S8 U
• Calculated formula: C76 H150 N14 S8 U
• 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: 26.3721 ± 0.0009 Å
• b: 17.9946 ± 0.0006 Å
• c: 19.9695 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9476.6 ± 0.6 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No