Information card for entry 4083296

Structure parameters

• Formula: C25 H28 Cl F6 N4 P Ru
• Calculated formula: C25 H28 Cl F6 N4 P Ru
• SMILES: [Ru]123456(Cl)([cH]7[c]1([cH]2[cH]5[c]4([cH]37)C)C(C)C)[n]1c(cccc1)C[n+]1nn(C)c(c2ccccc2)c61.[P](F)(F)(F)(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: 7.674 ± 0.005 Å
• b: 12.156 ± 0.005 Å
• c: 15.185 ± 0.005 Å
• α: 67.756 ± 0.005°
• β: 83.983 ± 0.005°
• γ: 86.125 ± 0.005°
• Cell volume: 1303.3 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No