Information card for entry 7715335

Structure parameters

• Formula: C19 H20 Cl N Ru S
• Calculated formula: C19 H20 Cl N Ru S
• SMILES: [Ru]123456(Cl)([n]7c(c8c1cccc8)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: 7.952 ± 0.0017 Å
• b: 12.1531 ± 0.0012 Å
• c: 18.037 ± 0.003 Å
• α: 90°
• β: 99.698 ± 0.015°
• γ: 90°
• Cell volume: 1718.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No