Information card for entry 4343425

Structure parameters

• Formula: C29 H25 F6 N P2 Ru S
• Calculated formula: C29 H25 F6 N P2 Ru S
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(Sc6ccccc6N1)[cH]1[cH]5[cH]4[cH]2[cH]31.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Comparison of Redox Activity between 2-Aminothioether and 2-Aminothiophenol: Redox-Induced Dimerization of 2-Aminothioether via C-C Coupling.
• Authors of publication: Ghosh, Pradip; Mandal, Sutanuva; Chatterjee, Ipsita; Mondal, Tapan Kumar; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6235 - 6244
• a: 9.373 ± 0.005 Å
• b: 18.972 ± 0.005 Å
• c: 15.682 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.537 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2732.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No