Information card for entry 4305503

Structure parameters

• Chemical name: trans,trans-[Dichlorido-bis(1-(1H-indazol-1-yl)ethanimine)ruthenium(III)] acetonitrile solvate
• Formula: C20 H21 Cl3 N7 Ru
• Calculated formula: C20 H21 Cl3 N7 Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3n(c4c(c3)cccc4)C(=[NH]1)C)[n]1n(c3c(c1)cccc3)C(=[NH]2)C.[Cl-].N#CC
• 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: 9.1416 ± 0.0008 Å
• b: 10.5096 ± 0.0007 Å
• c: 13.0426 ± 0.0012 Å
• α: 102.157 ± 0.006°
• β: 106.752 ± 0.007°
• γ: 95.512 ± 0.006°
• Cell volume: 1156.41 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No