Information card for entry 4330908

Structure parameters

• Formula: C41 H84 N8 O2 S5 U
• Calculated formula: C41 H84 N8 O2 S5 U
• Title of publication: Tetraalkylammonium Uranyl Isothiocyanates
• Authors of publication: Clare E. Rowland; Mercouri G. Kanatzidis; L. Soderholm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11798 - 11804
• a: 12.543 ± 0.003 Å
• b: 11.934 ± 0.003 Å
• c: 36.154 ± 0.007 Å
• α: 90°
• β: 91.89 ± 0.003°
• γ: 90°
• Cell volume: 5409 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1224
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No