Information card for entry 4069667

Structure parameters

• Common name: 1,4-(CH3)C6H4(F)RuCOD
• Formula: C15 H19 F Ru
• Calculated formula: C15 H19 F Ru
• SMILES: [Ru]12345678([c]9([cH]5[cH]4[c]3(C)[cH]2[cH]19)F)[CH]1CC[CH]6=[CH]7CC[CH]8=1
• 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: 12.377 ± 0.003 Å
• b: 8.3601 ± 0.001 Å
• c: 12.819 ± 0.003 Å
• α: 90°
• β: 109.621 ± 0.018°
• γ: 90°
• Cell volume: 1249.4 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No