Information card for entry 4308348

Structure parameters

• Chemical name: mer-[Trichlorobis(indazole)(dimethyl sulphide)ruthenium(III)]
• Formula: C18 H22 Cl3 N4 Ru S
• Calculated formula: C17.996 H22 Cl3 N4 Ru S0.999
• 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: 17.029 ± 0.003 Å
• b: 12.393 ± 0.002 Å
• c: 20.013 ± 0.004 Å
• α: 90°
• β: 90.91 ± 0.03°
• γ: 90°
• Cell volume: 4223 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No