Information card for entry 4308347

Structure parameters

• Chemical name: trans,trans,trans-[Diichlorobis(indazole)bis(dimethyl sulphide) ruthenium(II)]
• Formula: C18 H24 Cl2 N4 Ru S2
• Calculated formula: C18 H24 Cl2 N4 Ru S2
• SMILES: c1ccc2[nH][n]([Ru]([S](C)C)([n]3cc4ccccc4[nH]3)([S](C)C)(Cl)Cl)cc2c1
• Title of publication: Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action
• Authors of publication: Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 122 - 132
• a: 15.725 ± 0.003 Å
• b: 9.883 ± 0.002 Å
• c: 14.08 ± 0.003 Å
• α: 90°
• β: 102.39 ± 0.03°
• γ: 90°
• Cell volume: 2137.2 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No