Information card for entry 4305500

Structure parameters

• Chemical name: mer,trans-[Trichloridoindazole-1-(1H-indazol-1-yl)ethanimineruthenium(III) diethyl ether solvate
• Formula: C20 H25 Cl3 N5 O Ru
• Calculated formula: C20 H25 Cl3 N5 O Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([n]2n(c3c(c2)cccc3)C(=[NH]1)C)[n]1[nH]c2c(c1)cccc2.O(CC)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: 21.2476 ± 0.0008 Å
• b: 13.0596 ± 0.0008 Å
• c: 16.8248 ± 0.0006 Å
• α: 90°
• β: 96.347 ± 0.004°
• γ: 90°
• Cell volume: 4640 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No