Information card for entry 7015658

Structure parameters

• Formula: C21 H26 Cl F3 N4 O4 Ru S4
• Calculated formula: C21 H24 Cl F3 N4 O4 Ru S4
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)(Cl)[n]1ccccc1Cn1[n]3nc(c1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: 1-(2-Picolyl)-substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity.
• Authors of publication: Bratsos, Ioannis; Urankar, Damijana; Zangrando, Ennio; Genova-Kalou, Petia; Košmrlj, Janez; Alessio, Enzo; Turel, Iztok
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5188 - 5199
• a: 8.276 ± 0.003 Å
• b: 13.69 ± 0.004 Å
• c: 14.262 ± 0.004 Å
• α: 86.21 ± 0.03°
• β: 73.46 ± 0.02°
• γ: 71.34 ± 0.02°
• Cell volume: 1467 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No