Information card for entry 4345144

Structure parameters

• Chemical name: [Chlorido(1-benzyl-4-(2'-kC)-phenyl-(3-kN)-1,2,3-triazolato) (n6-p-cymene)ruthenium(II)]
• Formula: C25 H26 Cl N3 Ru
• Calculated formula: C25 H26 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([n]7nn(cc7c7c1cccc7)Cc1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
• Authors of publication: Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 528 - 541
• a: 10.75 ± 0.003 Å
• b: 11.762 ± 0.004 Å
• c: 18.936 ± 0.005 Å
• α: 91.261 ± 0.016°
• β: 97.253 ± 0.015°
• γ: 106.26 ± 0.015°
• Cell volume: 2276 ± 1.2 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.1105
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No