Information card for entry 4322098

Structure parameters

• Common name: [Ru(bpy)(CO)3Cl]+[Cl]-.(H5O2)+(Cl)-
• Formula: C13 H13 Cl3 N2 O5 Ru
• Calculated formula: C13 H13 Cl3 N2 O5 Ru
• SMILES: [Ru]1(Cl)(C#[O])(C#[O])(C#[O])[n]2c(c3[n]1cccc3)cccc2.[OH2][H][OH2+].[Cl-].[Cl-]
• Title of publication: Reactions of Ruthenium Bipyridine Catalyst Precursors: Synthetic, Structural, and Theoretical Studies on Ruthenium Mono(bipyridine) Carbonyls in Ethylene Glycol Solutions
• Authors of publication: Matti Haukka; Pipsa Hirva; Saija Luukkanen; Mirja Kallinen; Markku Ahlgrén; Tapani A. Pakkanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3182 - 3189
• a: 20.856 ± 0.004 Å
• b: 13.523 ± 0.003 Å
• c: 13.203 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No