Information card for entry 4338686

Structure parameters

• Formula: C19 H24 Cl F12 N5 O P2 Ru S
• Calculated formula: C19 H24 Cl F12 N5 O P2 Ru S
• SMILES: [Ru]123([n]4ccccc4c4[n]1c(cc(Cl)c4)c1[n]2cccc1)([NH2]CC[NH2]3)[S](=O)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.2101 ± 0.0012 Å
• b: 11.1212 ± 0.0015 Å
• c: 13.4013 ± 0.0018 Å
• α: 89.42 ± 0.011°
• β: 72.275 ± 0.013°
• γ: 70.412 ± 0.013°
• Cell volume: 1358.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No