Information card for entry 7037504

Structure parameters

• Chemical name: Chlorido{3-(oxo-?O)-2-(4-methoxyphenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?5-1,2,3,4,5 pentamethylcyclopentadienyl) rhodium(III)
• Formula: C26 H33 Cl O3 Rh S
• Calculated formula: C26 H33 Cl O3 Rh 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: 27.7598 ± 0.001 Å
• b: 8.3099 ± 0.0003 Å
• c: 22.7034 ± 0.0009 Å
• α: 90°
• β: 105.232 ± 0.0011°
• γ: 90°
• Cell volume: 5053.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No