Information card for entry 7015656

Structure parameters

• Formula: C18 H24 Cl2 N4 O2 Ru S2
• Calculated formula: C18 H24 Cl2 N4 O2 Ru S2
• SMILES: [Ru]1(Cl)(Cl)([n]2ccccc2Cn2[n]1nc(c2)c1ccccc1)([S](=O)(C)C)[S](=O)(C)C
• 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: 10.796 ± 0.003 Å
• b: 12.813 ± 0.003 Å
• c: 16.22 ± 0.004 Å
• α: 90 ± 0.02°
• β: 91.19 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2243.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No