Information card for entry 7019416

Structure parameters

• Formula: C22 H24 N O4 Ru S
• Calculated formula: C22 H24 N O4 Ru S
• SMILES: [Ru]123([S](c4c(N2)cccc4)c2ccccc2)([O]=C(C=C(O1)C)C)[O]=C(C=C(O3)C)C
• Title of publication: Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.
• Authors of publication: Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 7057 - 7066
• a: 11.42 ± 0.007 Å
• b: 31.938 ± 0.001 Å
• c: 5.837 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2128.9 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No