Information card for entry 4305505

Structure parameters

• Chemical name: Sodium trans-[tetrachloridobis(indazole)ruthenate(III)] ethyl acetate adduct
• Formula: C22 H28 Cl4 N4 Na O4 Ru
• Calculated formula: C22 H28 Cl4 N4 Na O4 Ru
• SMILES: [Ru]([n]1cc2ccccc2[nH]1)([n]1cc2ccccc2[nH]1)(Cl)(Cl)(Cl)Cl.C(C)OC(C)=[O][Na][O]=C(OCC)C
• Title of publication: Synthesis and Reactivity of the Aquation Product of the Antitumor Complex trans-[RuIIICl4(indazole)2]-
• Authors of publication: Berta Cebrián-Losantos; Erwin Reisner; Christian R. Kowol; Alexander Roller; Sergiu Shova; Vladimir B. Arion; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6513 - 6523
• a: 6.595 ± 0.0004 Å
• b: 7.7044 ± 0.0004 Å
• c: 14.1038 ± 0.0008 Å
• α: 75.446 ± 0.003°
• β: 83.563 ± 0.004°
• γ: 84.134 ± 0.003°
• Cell volume: 687.21 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No