Information card for entry 7015655

Structure parameters

• Formula: C18 H24 Cl2 N4 O2 Ru S2
• Calculated formula: C18 H24 Cl2 N4 O2 Ru S2
• SMILES: [Ru]1(Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)[n]2ccccc2Cn2[n]1nc(c2)c1ccccc1
• 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: 8.411 ± 0.003 Å
• b: 10.009 ± 0.004 Å
• c: 13.997 ± 0.004 Å
• α: 104.37 ± 0.03°
• β: 96.23 ± 0.02°
• γ: 94.18 ± 0.02°
• Cell volume: 1128.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No