Information card for entry 4078657

Structure parameters

• Formula: C22 H20 Cl4 N2 Ru2
• Calculated formula: C22 H20 Cl4 N2 Ru2
• SMILES: [Ru]123456([Ru]789%10(Cl)([NH]5c5ccccc5Cl)([NH]6c5c(Cl)cccc5)[cH]5[cH]8[cH]7[cH]%10[cH]95)(Cl)[cH]5[cH]3[cH]4[cH]1[cH]25
• 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: 18.964 ± 0.003 Å
• b: 15.138 ± 0.002 Å
• c: 19.467 ± 0.003 Å
• α: 90°
• β: 100.946 ± 0.004°
• γ: 90°
• Cell volume: 5486.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No