Information card for entry 7716104

Structure parameters

• Formula: C19 H22 Mo O S4 Si2
• Calculated formula: C19 H22 Mo O S4 Si2
• 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: 11.8373 ± 0.0013 Å
• b: 15.1681 ± 0.0015 Å
• c: 12.7361 ± 0.0012 Å
• α: 90°
• β: 103.61 ± 0.004°
• γ: 90°
• Cell volume: 2222.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No