Information card for entry 4333697

Structure parameters

• Formula: C22 H32 Cl2 N2 O2 Ru S2
• Calculated formula: C22 H32 Cl2 N2 O2 Ru S2
• SMILES: [Ru]123(Cl)(Cl)[S@@](=O)(CC[N]2(CC[N]3(CC[S@@]1(=O)c1ccc(cc1)C)C)C)c1ccc(C)cc1
• Title of publication: Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism
• Authors of publication: Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1170 - 1172
• a: 12.7705 ± 0.0006 Å
• b: 12.8827 ± 0.0007 Å
• c: 14.5232 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2389.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No