Information card for entry 7023612

Structure parameters

• Chemical name: RuCl2(PyPzH)dmso2
• Formula: C12 H20 Cl2 N3 O2.5 Ru S2
• Calculated formula: C12 H20 Cl2 N3 O2.5 Ru S2
• SMILES: O.c1cccc2c3cc[nH][n]3[Ru]([n]12)([S](C)(=O)C)([S](=O)(C)C)(Cl)Cl
• 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: 24.7647 ± 0.001 Å
• b: 11.7498 ± 0.0005 Å
• c: 14.098 ± 0.0005 Å
• α: 90°
• β: 116.307 ± 0.001°
• γ: 90°
• Cell volume: 3677.4 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No