Information card for entry 4305506

Structure parameters

• Chemical name: mer,trans-[Monoaquatrichloridobis(indazole)ruthenium(III)]
• Formula: C14 H14 Cl3 N4 O Ru
• Calculated formula: C14 H14 Cl3 N4 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)([OH2])([n]1[nH]c2c(c1)cccc2)[n]1[nH]c2c(c1)cccc2
• 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: 23.2227 ± 0.0013 Å
• b: 24.8073 ± 0.0013 Å
• c: 8.6427 ± 0.0005 Å
• α: 90°
• β: 94.679 ± 0.006°
• γ: 90°
• Cell volume: 4962.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No