Information card for entry 4069669

Structure parameters

• Common name: C6H5FRu(Cl2)PTA
• Formula: C12 H22 Cl2 F N3 O2.5 P Ru
• Calculated formula: C12 H21.991 Cl2 F N3 O2.501 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]67CN8CN(C6)CN(C7)C8)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)F.O.O.O
• 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: 9.404 ± 0.0002 Å
• b: 15.7312 ± 0.0003 Å
• c: 11.9961 ± 0.0004 Å
• α: 90°
• β: 105.972 ± 0.003°
• γ: 90°
• Cell volume: 1706.15 ± 0.08 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No