Information card for entry 4072334

Structure parameters

• Chemical name: (1H-benzimidazole-kappaN^3^)(quinolin-8-olato-kappaN^1^, kappaO^8^)(1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene- ruthenium(II) trifluoromethanesulfonate diethyl ether solvate
• Formula: C29 H31 F3 N3 O4.5 Ru S
• Calculated formula: C29 H31 F3 N3 O4.5 Ru S
• 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: 19.878 ± 0.004 Å
• b: 22.441 ± 0.004 Å
• c: 14.179 ± 0.003 Å
• α: 90°
• β: 115.89 ± 0.03°
• γ: 90°
• Cell volume: 5690 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No