Information card for entry 7710775

Structure parameters

• Chemical name: Tricarbonyldichlorido(methylphenylselane)ruthenium
• Formula: C10 H8 Cl2 O3 Ru Se
• Calculated formula: C10 H8 Cl2 O3 Ru Se
• SMILES: [Ru]([Se](c1ccccc1)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: 20.297 ± 0.004 Å
• b: 9.6655 ± 0.0019 Å
• c: 15.129 ± 0.003 Å
• α: 90°
• β: 112.81 ± 0.03°
• γ: 90°
• Cell volume: 2735.9 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No