Information card for entry 7132419

Structure parameters

• Formula: C59 H78 Mo3 N2 S4 U
• Calculated formula: C59 H78 Mo3 N2 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: 11.0151 ± 0.0001 Å
• b: 20.2686 ± 0.0001 Å
• c: 24.6766 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5509.31 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No