Information card for entry 7710773

Structure parameters

• Chemical name: Dicarbonyldichloridobis(methylphenylsulfane)ruthenium
• Formula: C16 H16 Cl2 O2 Ru S2
• Calculated formula: C16 H16 Cl2 O2 Ru S2
• SMILES: [Ru](Cl)(Cl)([S](c1ccccc1)C)([S](c1ccccc1)C)(C#[O])C#[O]
• Title of publication: Experimental and computational investigation on the formation pathway of [RuCl₂(CO)₂(ERR')₂] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl₂(CO)₃]₂ and ERR'.
• Authors of publication: Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 9.891 ± 0.002 Å
• b: 12.172 ± 0.002 Å
• c: 30.653 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3690.4 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No