Information card for entry 7717553

Structure parameters

• Formula: C42 H72 Mo3 O3 S4 U
• Calculated formula: C42 H72 Mo3 O3 S4 U
• Title of publication: pKa of Alcohols Dictate their Reactivity with Reduced Uranium-substituted Thiomolybdate Clusters
• Authors of publication: Patra, Kamaless; Brennessel, William W.; Matson, Ellen
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.97728 ± 0.00007 Å
• b: 17.85746 ± 0.00011 Å
• c: 24.61165 ± 0.00016 Å
• α: 90°
• β: 96.2794 ± 0.0006°
• γ: 90°
• Cell volume: 4795.59 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0297
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No