Information card for entry 2203196

Structure parameters

• Chemical name: mer-trichlorotris(dimethyl sulfide)ruthenium(III)
• Formula: C6 H18 Cl3 Ru S3
• Calculated formula: C6 H18 Cl3 Ru S3
• SMILES: [Ru](Cl)(Cl)(Cl)([S](C)C)([S](C)C)[S](C)C
• Title of publication: <i>mer</i>-Trichlorotris(dimethyl sulfide)ruthenium(III)
• Authors of publication: Bolton, Peter R.; Levason, William; Reid, Gillian; Webster, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m207 - m208
• a: 16.391 ± 0.002 Å
• b: 8.54 ± 0.001 Å
• c: 10.4825 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1467.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes