Information card for entry 4069666

Structure parameters

• Common name: C6H5(CF3)RuCOD
• Formula: C15 H17 F3 Ru
• Calculated formula: C15 H17 F3 Ru
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]17823456[CH]2CC[CH]1=[CH]7CC[CH]8=2)C(F)(F)F
• Title of publication: Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands
• Authors of publication: Renfrew, Anna K.; Phillips, Andrew D.; Tapavicza, Enrico; Scopelliti, Rosario; Rothlisberger, Ursula; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5061
• a: 8.2277 ± 0.0016 Å
• b: 11.069 ± 0.002 Å
• c: 14.291 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1301.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0138
• Residual factor for significantly intense reflections: 0.0126
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No