Information card for entry 7132420

Structure parameters

• Formula: C40 H60 I Mo3 S4 U
• Calculated formula: C40 H60 I Mo3 S4 U
• SMILES: [U]123456(I)([S]7[Mo]89%10%11%12%13([Mo]%14%15%16%17%18%197([Mo]7%20%21%22([S]1%14)([S]28)([S]9%15)[c]1([c]7([c]%20([c]%21([c]%221C)C)C)C)C)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Molybdenum sulphide clusters as redox-active supports for low-valent uranium.
• Authors of publication: Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 530 - 533
• a: 11.2243 ± 0.00009 Å
• b: 20.51803 ± 0.00014 Å
• c: 21.54896 ± 0.00019 Å
• α: 79.9966 ± 0.0007°
• β: 75.1189 ± 0.0007°
• γ: 87.6951 ± 0.0006°
• Cell volume: 4723.32 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No