Information card for entry 7716097

Structure parameters

• Formula: C6 O2 S6
• Calculated formula: C6 O2 S6
• Title of publication: Radical and diradical states of bis(molybdenocene dithiolene) complexes
• Authors of publication: Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 17.925 ± 0.002 Å
• b: 26.902 ± 0.003 Å
• c: 3.9069 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1884 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No