Information card for entry 2242085

Structure parameters

• Chemical name: <i>cis</i>-Dicarbonylchlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) <i>fac</i>-tricarbonyltrichloridoruthenate(II)]
• Formula: C20 H10 Cl5 N3 O5 Ru2
• Calculated formula: C20 H10 Cl5 N3 O5 Ru2
• SMILES: [Ru]12(Cl)([n]3c(c4[n]1c(c1[n]2cccc1)cc(Cl)c4)cccc3)(C#[O])C#[O].[Ru](Cl)(Cl)(Cl)(C#[O])(C#[O])C#[O]
• Title of publication: Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand
• Authors of publication: Tatikonda, Rajendhraprasad; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 556 - 559
• a: 14.3578 ± 0.0004 Å
• b: 13.9158 ± 0.0002 Å
• c: 13.222 ± 0.0003 Å
• α: 90°
• β: 114.08 ± 0.003°
• γ: 90°
• Cell volume: 2411.86 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No