Information card for entry 7049850

Structure parameters

• Formula: C56 H105 N26 O19 S11 U4
• Calculated formula: C56 H105 N26 O19 S11 U4
• Title of publication: Oxidation of uranium(iv) thiocyanate complexes: cation-cation interactions in mixed-valent uranium coordination chains.
• Authors of publication: Nuzzo, Stefano; van Leusen, Jan; Twamley, Brendan; Platts, James A.; Kögerler, Paul; Baker, Robert J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6704 - 6708
• a: 16.766 ± 0.0007 Å
• b: 13.2785 ± 0.0006 Å
• c: 44.239 ± 0.002 Å
• α: 90°
• β: 94.9093 ± 0.0014°
• γ: 90°
• Cell volume: 9812.7 ± 0.7 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: 0.0505
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No