Information card for entry 4078661

Structure parameters

• Formula: C26 H28 Cl4 N2 O4 Ru2 S2
• Calculated formula: C26 H28 Cl4 N2 O4 Ru2 S2
• SMILES: C[S]1[Ru]234567([cH]8[cH]4[cH]7[cH]6[cH]3[cH]28)[NH](c2ccccc12)[Ru]123467([cH]8[cH]1[cH]3[cH]4[cH]6[cH]78)[NH]5c1ccccc1[S]2C.O.O.[Cl-].[Cl-].O.O.[Cl-].[Cl-]
• Title of publication: Comparative Study onortho-C‒H vsortho-C‒X (X = C, Cl, S) Bond Activation inortho-Caromatic‒N Bond Fusion in Substituted Anilines Using Ruthenium(II) Mediators: Isolation and Characterization of Unusual Ru2Complexes
• Authors of publication: Mandal, Sutanuva; Samanta, Subhas; Mondal, Tapan K.; Goswami, Sreebrata
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5282
• a: 9.0893 ± 0.0008 Å
• b: 9.4136 ± 0.0008 Å
• c: 10.684 ± 0.0009 Å
• α: 64.083 ± 0.001°
• β: 76.07 ± 0.002°
• γ: 74.921 ± 0.002°
• Cell volume: 785.37 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No