Information card for entry 7716098

Structure parameters

• Formula: C10 H12 S6 Si2
• Calculated formula: C10 H12 S6 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: 6.6939 ± 0.0016 Å
• b: 7.9864 ± 0.0019 Å
• c: 15.384 ± 0.004 Å
• α: 90°
• β: 90.118 ± 0.011°
• γ: 90°
• Cell volume: 822.4 ± 0.4 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: 0.0626
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No