Information card for entry 7132418

Structure parameters

• Formula: C52 H60 D12 I2 Mo3 S4 U
• Calculated formula: C52 H60 D12 I2 Mo3 S4 U
• 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: 13.3084 ± 0.0001 Å
• b: 13.3384 ± 0.0003 Å
• c: 17.3783 ± 0.0003 Å
• α: 90.036 ± 0.001°
• β: 109.162 ± 0.001°
• γ: 110.969 ± 0.001°
• Cell volume: 2696.47 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No