Information card for entry 4083995

Structure parameters

• Formula: C39 H49 F3 N3 O10 P Ru S
• Calculated formula: C39 H49 F3 N3 O10 P Ru S
• SMILES: [Ru]123456(OC(=CC(=[O]1)/C=C/c1cc(OC)c(O)cc1)/C=C/c1cc(OC)c(O)cc1)([P]17CN8CN(C1)CN(C7)C8)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.C(F)(F)(F)S(=O)(=O)[O-].CO
• Title of publication: Ruthenium(II)‒Arene RAPTA Type Complexes Containing Curcumin and Bisdemethoxycurcumin Display Potent and Selective Anticancer Activity
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Condello, Francesca; Pettinari, Claudio; Lupidi, Giulio; Scopelliti, Rosario; Mukhopadhyay, Suman; Riedel, Tina; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3709
• a: 11.3551 ± 0.0006 Å
• b: 12.7577 ± 0.0016 Å
• c: 15.231 ± 0.002 Å
• α: 99.776 ± 0.012°
• β: 92.279 ± 0.007°
• γ: 107.352 ± 0.009°
• Cell volume: 2065.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No