Information card for entry 4305502

Structure parameters

• Chemical name: mer,trans-[Trichloridoindazole-1-(1H-indazol-1-yl-1- phenylmethanimineruthenium(III)] benzonitrile solvate
• Formula: C28 H22 Cl3 N6 Ru
• Calculated formula: C28 H22 Cl3 N6 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([n]2cc3ccccc3[nH]2)[n]2n(c3c(c2)cccc3)C(=[NH]1)c1ccccc1.N#Cc1ccccc1
• 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: 9.808 ± 0.002 Å
• b: 11.927 ± 0.002 Å
• c: 12.689 ± 0.003 Å
• α: 104.96 ± 0.03°
• β: 107.96 ± 0.03°
• γ: 93.78 ± 0.03°
• Cell volume: 1347 ± 0.6 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: 0.0562
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No