Information card for entry 7710771

Structure parameters

• Chemical name: Tricarbonyldichlorido(dimethylselane)ruthenium
• Formula: C5 H6 Cl2 O3 Ru Se
• Calculated formula: C5 H6 Cl2 O3 Ru Se
• SMILES: [Ru]([Se](C)C)(Cl)(Cl)(C#[O])(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: 6.1101 ± 0.0012 Å
• b: 16.755 ± 0.003 Å
• c: 10.176 ± 0.002 Å
• α: 90°
• β: 102.04 ± 0.03°
• γ: 90°
• Cell volume: 1018.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No