Information card for entry 7716101

Structure parameters

• Formula: C10 H10 Mo S2
• Calculated formula: C10 H10 Mo S2
• 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: 5.9374 ± 0.0004 Å
• b: 12.6972 ± 0.0007 Å
• c: 13.0938 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 987.12 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No