Information card for entry 7716100

Structure parameters

• Formula: C8 H2 O2 S4
• Calculated formula: C8 H2 O2 S4
• 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: 3.8723 ± 0.0007 Å
• b: 11.708 ± 0.002 Å
• c: 9.9274 ± 0.0017 Å
• α: 90°
• β: 90.31 ± 0.007°
• γ: 90°
• Cell volume: 450.07 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No