Information card for entry 7710772

Structure parameters

• Chemical name: Dicarbonyldichloridobis(diphenylselane)ruthenium
• Formula: C26 H20 Cl2 O2 Ru Se2
• Calculated formula: C26 H20 Cl2 O2 Ru Se2
• SMILES: [Ru]([Se](c1ccccc1)c1ccccc1)([Se](c1ccccc1)c1ccccc1)(Cl)(Cl)(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: 6.4041 ± 0.0013 Å
• b: 17.358 ± 0.004 Å
• c: 11.699 ± 0.002 Å
• α: 90°
• β: 103.23 ± 0.03°
• γ: 90°
• Cell volume: 1266 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No