Information card for entry 7037805

Structure parameters

• Formula: C9 H21 Cl2 N3 O5 Ru S3
• Calculated formula: C9 H21 Cl2 N3 O5 Ru S3
• SMILES: [Ru]([S](=O)(C)C)([n]1[nH]cc(N(=O)=O)c1)(Cl)([S](=O)(C)C)(Cl)[S](=O)(C)C
• Title of publication: Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.
• Authors of publication: Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3163 - 3174
• a: 8.396 ± 0.007 Å
• b: 15.783 ± 0.013 Å
• c: 14.403 ± 0.012 Å
• α: 90°
• β: 105.773 ± 0.013°
• γ: 90°
• Cell volume: 1837 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No