Information card for entry 7019413

Structure parameters

• Formula: C23 H27 N O5 Ru S
• Calculated formula: C23 H27 N O5 Ru S
• SMILES: [Ru]123([S](C4C(=[NH]3)C=CC(=O)C=4)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.c1ccccc1
• 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: 14.187 ± 0.003 Å
• b: 12.1 ± 0.006 Å
• c: 13.961 ± 0.004 Å
• α: 90°
• β: 100.43 ± 0.01°
• γ: 90°
• Cell volume: 2357 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No