Information card for entry 7715337

Structure parameters

• Formula: C19 H19 Cl F N Ru S
• Calculated formula: C19 H19 Cl F N Ru S
• SMILES: [Ru]123456(Cl)([n]7c(c8c1cc(F)cc8)csc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.
• Authors of publication: Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5567 - 5579
• a: 7.8645 ± 0.0008 Å
• b: 12.1266 ± 0.0014 Å
• c: 18.5026 ± 0.0017 Å
• α: 90°
• β: 99.203 ± 0.008°
• γ: 90°
• Cell volume: 1741.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No