Information card for entry 4318243

Structure parameters

• Chemical name: trans-tetrachloro-(dimethylsulfoxide,O)-nitrosyl-ruthenium(III) (dimethylsulfoxide-dimethylsulfoxonium)
• Formula: C6 H19 Cl4 N O4 Ru S3
• Calculated formula: C6 H19 Cl4 N O4 Ru S3
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)(N=O)[O]=S(C)C.S(=O)(C)C.S(=[OH+])(C)C
• Title of publication: Synthesis and Structural, Spectroscopic, and Electrochemical Characterization of New Ruthenium Dimethyl Sulfoxide Nitrosyls
• Authors of publication: Barbara Serli; Ennio Zangrando; Elisabetta Iengo; Giovanni Mestroni; Lesley Yellowlees; Enzo Alessio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4033 - 4043
• a: 10.402 ± 0.001 Å
• b: 18.801 ± 0.004 Å
• c: 19.328 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3779.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No