Information card for entry 4069664

Structure parameters

• Common name: CODRu(acac)2
• Formula: C18 H26 O4 Ru
• Calculated formula: C18 H26 O4 Ru
• SMILES: [Ru]12345(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[CH]1CC[CH]3=[CH]4CC[CH]5=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: 7.7873 ± 0.0003 Å
• b: 16.0694 ± 0.0004 Å
• c: 14.468 ± 0.0004 Å
• α: 90°
• β: 104.012 ± 0.003°
• γ: 90°
• Cell volume: 1756.61 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No