Information card for entry 4338688

Structure parameters

• Common name: [(4'-chloro-terpyridine)(bipyridine)(dmso-S)ruthenium(II)] bis(triflate)
• Chemical name: [(4'-chloro-2,2':6',2''-terpyridine)(2,2'-bipyridine) (dimethylsulfoxide-S)ruthenium(II)] bis(trifluoromethanesulfonate)
• Formula: C29 H24 Cl F6 N5 O7 Ru S3
• Calculated formula: C29 H24 Cl F6 N5 O7 Ru S3
• SMILES: [Ru]123([S](=O)(C)C)([n]4c(c5[n]1cccc5)cccc4)[n]1c(cccc1)c1cc(Cl)cc(c4cccc[n]24)[n]31.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives.
• Authors of publication: Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Zivadin D; Alessio, Enzo
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6113 - 6126
• a: 20.1168 ± 0.0005 Å
• b: 8.8764 ± 0.0002 Å
• c: 21.5672 ± 0.0005 Å
• α: 90°
• β: 116.406 ± 0.003°
• γ: 90°
• Cell volume: 3449.33 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No