Information card for entry 2220890

Structure parameters

• Chemical name: <i>fac</i>-Aquadichloridotris(tetramethylene sulfoxide-κ<i>S</i>)ruthenium(II)
• Formula: C12 H26 Cl2 O4 Ru S3
• Calculated formula: C12 H26 Cl2 O4 Ru S3
• SMILES: [Ru](Cl)(Cl)([S]1(=O)CCCC1)([S]1(=O)CCCC1)([S]1(=O)CCCC1)[OH2]
• Title of publication: <i>fac</i>-Aquadichloridotris(tetramethylene sulfoxide-κ<i>S</i>)ruthenium(II)
• Authors of publication: Srivastava, Radhey S.; Gonzales, Carlos F.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m170
• a: 14.302 ± 0.003 Å
• b: 7.7877 ± 0.0015 Å
• c: 17.248 ± 0.003 Å
• α: 90°
• β: 109.917 ± 0.009°
• γ: 90°
• Cell volume: 1806.2 ± 0.6 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes