Information card for entry 7023613

Structure parameters

• Chemical name: RuCl2(Pz-H)dmso3
• Formula: C9 H22 Cl2 N2 O3 Ru S3
• Calculated formula: C9 H22 Cl2 N2 O3 Ru S3
• SMILES: [Ru]([S](C)(=O)C)(Cl)([n]1[nH]ccc1)([S](C)(C)=O)(Cl)[S](=O)(C)C
• Title of publication: Ru(II) complexes containing dmso and pyrazolyl ligands as catalysts for nitrile hydration in environmentally friendly media.
• Authors of publication: Ferrer, Íngrid; Rich, Jordi; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13461 - 13469
• a: 8.531 ± 0.007 Å
• b: 13.122 ± 0.011 Å
• c: 8.953 ± 0.008 Å
• α: 90°
• β: 116.997 ± 0.013°
• γ: 90°
• Cell volume: 893 ± 1.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No