Information card for entry 7028917

Structure parameters

• Formula: C34 H25 Cl2 F3 N8 O8 Ru
• Calculated formula: C34 H25 Cl2 F3 N8 O8 Ru
• SMILES: c1cccc2c3cn(c4ccccc4C(F)(F)F)n[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]41.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: The redox series [Ru(bpy)2(L)](n), n = +3, +2, +1, 0, with L = bipyridine, "click" derived pyridyl-triazole or bis-triazole: a combined structural, electrochemical, spectroelectrochemical and DFT investigation.
• Authors of publication: Hohloch, Stephan; Schweinfurth, David; Sommer, Michael G.; Weisser, Fritz; Deibel, Naina; Ehret, Fabian; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4437 - 4450
• a: 10.6547 ± 0.0012 Å
• b: 11.6352 ± 0.0012 Å
• c: 14.5178 ± 0.0016 Å
• α: 89.532 ± 0.005°
• β: 77.126 ± 0.005°
• γ: 87.806 ± 0.004°
• Cell volume: 1753.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No