Information card for entry 4333696

Structure parameters

• Formula: C26 H38 Cl2 N2 O2 Ru S2
• Calculated formula: C26 H38 Cl2 N2 O2 Ru S2
• SMILES: [Ru]123(Cl)(Cl)[S@](=O)(c4ccc(cc4)C)CC[N]2(C)[C@@H]2CCCC[C@H]2[N]3(C)CC[S@@]1(=O)c1ccc(cc1)C
• 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: 24.559 ± 0.002 Å
• b: 9.5482 ± 0.0009 Å
• c: 11.6554 ± 0.0011 Å
• α: 90°
• β: 102.557 ± 0.001°
• γ: 90°
• Cell volume: 2667.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No