Information card for entry 4305501

Structure parameters

• Chemical name: mer,trans-[Trichloridobis(indazole)(kappa^N3^-N6,N6- dimethyladenineruthenium(III)] tetrahydrofuran solvate
• Formula: C25 H29 Cl3 N9 O Ru
• Calculated formula: C25 H29 Cl3 N9 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)([n]1cnc(c2c1[nH]cn2)N(C)C)([n]1[nH]c2c(c1)cccc2)[n]1[nH]c2c(c1)cccc2.O1CCCC1
• 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: 10.69 ± 0.002 Å
• b: 12.757 ± 0.003 Å
• c: 12.957 ± 0.003 Å
• α: 116.63 ± 0.03°
• β: 103.45 ± 0.03°
• γ: 103.08 ± 0.03°
• Cell volume: 1420.8 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No