Information card for entry 7037505

Structure parameters

• Chemical name: Chlorido{3-(oxo-?O) 2-(4-methoxyphenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?6-p-cymene)ruthenium(II)
• Formula: C23 H25 Cl O3 Ru S
• Calculated formula: C23 H25 Cl O3 Ru S
• Title of publication: Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.
• Authors of publication: Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 724 - 733
• a: 12.9626 ± 0.0004 Å
• b: 13.7228 ± 0.0005 Å
• c: 14.0458 ± 0.0005 Å
• α: 94.2722 ± 0.0013°
• β: 107.027 ± 0.0012°
• γ: 107.929 ± 0.0012°
• Cell volume: 2235.44 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No