Information card for entry 7028916

Structure parameters

• Formula: C15.31 H9 F3 N4 O0.31
• Calculated formula: C15.32 H9 F3 N4 O0.33
• 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: 15.3175 ± 0.0007 Å
• b: 15.3175 ± 0.0007 Å
• c: 23.0865 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5416.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No