Information card for entry 4072331

Structure parameters

• Chemical name: (quinolin-8-olato-kappaN^1^,kappaO^8^)(1H-indazole-kappaN^3^)- (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-ruthenium(II) trifluoromethanesulfonate dichloromethane solvate
• Formula: C28 H28 Cl2 F3 N3 O4 Ru S
• Calculated formula: C28 H28 Cl2 F3 N3 O4 Ru S
• SMILES: [Ru]123456(Oc7cccc8ccc[n]1c78)([n]1[nH]c7c(c1)cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity
• Authors of publication: Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6587
• a: 13.531 ± 0.003 Å
• b: 11.219 ± 0.002 Å
• c: 20.357 ± 0.004 Å
• α: 90°
• β: 106.48 ± 0.03°
• γ: 90°
• Cell volume: 2963.3 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No