Information card for entry 7037503

Structure parameters

• Chemical name: Chlorido{3-(oxo-?O)-2(-4-fluorophenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)
• Formula: C22 H23 Cl F O2 Rh S
• Calculated formula: C22 H23 Cl F O2 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: 8.087 ± 0.0005 Å
• b: 8.4811 ± 0.0004 Å
• c: 30.4205 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.4 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No