Information card for entry 4343424

Structure parameters

• Formula: C60 H58 Cl2 N2 O2 P2 Ru2 S2
• Calculated formula: C60 H58 Cl2 N2 O2 P2 Ru2 S2
• SMILES: c12ccc(cc1[S]([Ru]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)c1ccc2c(c1)[S](C)[Ru]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O.[Cl-].O.[Cl-]
• 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: 10.37 ± 0.005 Å
• b: 19.736 ± 0.01 Å
• c: 13.744 ± 0.007 Å
• α: 90°
• β: 94.37 ± 0.015°
• γ: 90°
• Cell volume: 2805 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No