Information card for entry 4083294

Structure parameters

• Formula: C25 H26 Cl F3 N4 O3 Ru S
• Calculated formula: C25 H26 Cl F3 N4 O3 Ru S
• SMILES: [Ru]123456(Cl)([n]7ccccc7[n+]7nn(c(c8ccccc8)c67)C)[cH]6[cH]3[c]1([cH]2[cH]4[c]56C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes
• Authors of publication: Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2588
• a: 9.191 ± 0.003 Å
• b: 12.287 ± 0.004 Å
• c: 13.462 ± 0.004 Å
• α: 111.574 ± 0.005°
• β: 100.484 ± 0.006°
• γ: 101.168 ± 0.006°
• Cell volume: 1332.5 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No