Information card for entry 7045825

Structure parameters

• Chemical name: [((2-κN)-1H-Indazole)(1-benzyl-4-(2'-κC)-phenyl-1,2,3-(3-κN)-triazolato)(η6-p-cymene)ruthenium(II)] nitrate
• Formula: C64 H66 N12 O7 Ru2
• Calculated formula: C64 H66 N12 O7 Ru2
• Title of publication: N- and S-donor leaving groups in triazole-based ruthena(ii)cycles: potent anticancer activity, selective activation, and mode of action studies.
• Authors of publication: Riedl, Christoph A.; Hejl, Michaela; Klose, Matthias H. M.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4625 - 4638
• a: 10.6875 ± 0.0011 Å
• b: 22.259 ± 0.002 Å
• c: 25.861 ± 0.003 Å
• α: 90°
• β: 90.648 ± 0.004°
• γ: 90°
• Cell volume: 6151.8 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No